A0A096LXC6_POEFO Loading...

Myotubularin

AlphaFold DB , UniProt , Accession A0A096LXC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 608 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	37.1	Very low	29.1	Very low	251 Å²	251	149.5 Å²	149.5	100%	1.236	86%	0.856	S	S	*	*				0	128.2	0	-69.1	173.2	176.6	0	0	107.1
2	A	26.2	Very low	28.9	Very low	102 Å²	102	147.4 Å²	147.4	84%	0.843	86%	0.857	S	S	*	*			trans	-111.8	146.3	179.6	0	0	0	0	0	109.6
3	S	30.5	Very low	28.9	Very low	117 Å²	117	147.9 Å²	147.9	82%	0.818	85%	0.853	S	S	*	*			trans	-142.4	136.4	173.1	-60.6	0	0	0	0	109.1
4	P	38.5	Very low	28.7	Very low	131 Å²	131	147 Å²	147	85%	0.851	84%	0.844	S	S	*	*			trans	-94.4	171.7	-169.9	37.5	-36.2	0	0	0	114.1
5	V	29.8	Very low	28.6	Very low	131 Å²	131	145.1 Å²	145.1	79%	0.794	84%	0.843	S	S	*	*			trans	-69.6	148	-177.8	179.1	0	0	0	0	113.1
6	S	28.5	Very low	28.5	Very low	118 Å²	118	150.1 Å²	150.1	83%	0.825	84%	0.843	S	S	*	*			trans	-142.1	151.1	150.6	70	0	0	0	0	110.9
7	E	29.3	Very low	28.5	Very low	170 Å²	170	151.4 Å²	151.4	79%	0.794	85%	0.845	S	S	*	*			trans	-104.6	138.3	-169.6	-70.7	-177.7	126.6	0	0	114.5
8	Y	24.6	Very low	28.5	Very low	212 Å²	212	149.4 Å²	149.4	83%	0.831	84%	0.838	S	S	*	*			trans	24.9	116.6	146.2	-76.4	-87.4	0	0	0	122.2
9	H	24.1	Very low	28.5	Very low	197 Å²	197	147.9 Å²	147.9	91%	0.912	84%	0.839	S	S	*	*			trans	-152.6	119.3	145.6	-94.5	-58.6	0	0	0	112.2
10	S	27.2	Very low	28.5	Very low	105 Å²	105	147.4 Å²	147.4	73%	0.734	84%	0.838	S	S	*	*			trans	-172.7	104.5	152.7	54.6	0	0	0	0	108.3
11	S	24.8	Very low	28.7	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	83%	0.833	S	S	*	*				78.8	113.8	84.4	73.5	0	0	0	0	115.4
12	S	26.6	Very low	28.3	Very low	124 Å²	124	143.8 Å²	143.8	87%	0.867	82%	0.82	S	S	*	*			trans	-155.2	147.2	143.7	46.9	0	0	0	0	109.2
13	L	28.3	Very low	28.6	Very low	154 Å²	154	146.5 Å²	146.5	81%	0.806	82%	0.82	S	S	*	*			trans	-96	156.4	-170.1	-91.8	84.6	0	0	0	113.4
14	D	26.7	Very low	28.7	Very low	135 Å²	135	146.3 Å²	146.3	72%	0.722	82%	0.819	S	S	*	*			trans	54.6	116.2	150.3	-77.2	-38.8	0	0	0	120.6
15	S	26.8	Very low	28.6	Very low	119 Å²	119	148.7 Å²	148.7	83%	0.832	82%	0.824	S	S	*	*				-160.8	128.4	106.5	56.7	0	0	0	0	113.6
16	R	27.1	Very low	29.1	Very low	224 Å²	224	152 Å²	152	85%	0.845	83%	0.827	S	S	*	*			trans	-45.8	126.8	178.8	-58.1	160.8	-175	177.2	0.2	115.5
17	I	28.1	Very low	29.9	Very low	172 Å²	172	154 Å²	154	88%	0.882	83%	0.826	S	S	*	*			trans	-134.1	88.8	142.2	-56.4	-177.6	0	0	0	108.1
18	T	28.2	Very low	31.9	Very low	116 Å²	116	152 Å²	152	71%	0.712	82%	0.816	S	S	*	*			trans	-87	127.3	170.4	30.3	0	0	0	0	110.2	T20	T18-T20 PolarHBondContact O-N 2.95Å
19	S	28.6	Very low	34.4	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	79%	0.791	S	S	*	*			trans	-72.6	84.5	-176.8	42.8	0	0	0	0	112.9
20	T	29.4	Very low	37.2	Very low	136 Å²	136	135.3 Å²	135.3	83%	0.834	75%	0.748	S	S	*	*			trans	-72.1	131.2	168.2	49.6	0	0	0	0	111.4	T18	T18-T20 PolarHBondContact O-N 2.95Å
21	G	33.2	Very low	39.7	Very low	71 Å²	71	133.1 Å²	133.1	73%	0.732	74%	0.736	S	S	*	*			trans	127.6	32.4	155.3	0	0	0	0	0	120
22	R	28.6	Very low	42.5	Very low	252 Å²	252	132.1 Å²	132.1	95%	0.951	72%	0.722	S	S	*	*	S	Bend	trans	-138.2	32.3	164	-78.6	-161.9	179.4	171.8	1.5	115.1
23	N	32	Very low	45.5	Very low	159 Å²	159	126.7 Å²	126.7	85%	0.85	68%	0.684	S	S	*	*			trans	-128.2	154	169.2	-95.6	-30.6	0	0	0	110.9
24	S	32.9	Very low	48.6	Very low	113 Å²	113	124.3 Å²	124.3	79%	0.79	68%	0.68	S	S	*	*			trans	67.6	58.3	176	71	0	0	0	0	119.1
25	L	35.4	Very low	51.9	Low	182 Å²	182	121 Å²	121	95%	0.953	66%	0.662	S	S	*	*			trans	-120	51.4	136.5	-85.1	173.2	0	0	0	110.1	M27	L25-M27 PolarHBondContact O-N 3.16Å
26	K	39.6	Very low	55.2	Low	199 Å²	199	117.1 Å²	117.1	87%	0.865	63%	0.632	S	S	*	*			trans	-78.3	102.1	158.7	-77.9	-171.2	175.7	-175.6	0	106.8	E28	K26-E28 PolarHBondContact O-N 2.68Å
27	M	47.3	Very low	58.6	Low	162 Å²	162	109.5 Å²	109.5	80%	0.798	61%	0.611	S	S	*	*			trans	-53	122.6	157.9	-86.4	170.6	55.2	0	0	107.3	L25 L29	L25-M27 PolarHBondContact O-N 3.16Å; M27-L29 PolarHBondContact O-N 3.48Å
28	E	69.9	Low	61.9	Low	127 Å²	127	102.1 Å²	102.1	59%	0.593	58%	0.577	S	S	*	*			trans	-61	124.5	170.4	-85.5	-169.9	120.1	0	0	108.4	K26 L30 A31	K26-E28 PolarHBondContact O-N 2.68Å; E28-L30 PolarHBondContact O-N 3.09Å; E28-A31 HydrophobicContact CB-CB 3.87Å; E28-A31 WeakPolarHBondContact O-CB 3.32Å; E28-A31 PolarHBondContact O-N 3.16Å
29	L	77.3	Confident	65.2	Low	57 Å²	57	96.9 Å²	96.9	30%	0.298	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-27.2	-170.1	-177.1	64.3	0	0	0	113.9	M27 K60 K71 S73	M27-L29 PolarHBondContact O-N 3.48Å; L29-K60 HydrophobicContact CD2-CB 3.98Å; L29-K71 HydrophobicContact CD1-CD 4.39Å; L29-K71 HydrophobicContact CG-CD 4.34Å; L29-K71 WeakPolarHBondContact O-CD 3.19Å; L29-K71 PolarHBondContact O-NZ 3.01Å; L29-S73 WeakPolarHBondContact CD2-OG 3.31Å
30	L	83.6	Confident	68.4	Low	1 Å²	1	95.6 Å²	95.6	1%	0.005	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	4.9	-177.2	-61.2	171.3	0	0	0	113.7	E28 D32 V33 R41 D44 K60 L62 Y69 K71	E28-L30 PolarHBondContact O-N 3.09Å; L30-D32 VanDerWaalsContact C-N 3.25Å; L30-D32 PolarHBondContact O-N 3.44Å; L30-V33 HydrophobicContact CB-CG2 4.24Å; L30-V33 HydrophobicContact CD2-CG2 4.01Å; L30-V33 WeakPolarHBondContact O-CB 3.46Å; L30-V33 WeakPolarHBondContact O-CG2 3.46Å; L30-V33 PolarHBondContact O-N 2.92Å; L30-R41 VanDerWaalsContact O-CZ 3.28Å; L30-R41 PolarHBondContact O-NH1 3.37Å; L30-R41 PolarHBondContact O-NH2 2.99Å; L30-D44 HydrophobicContact CD1-CB 3.92Å; L30-K60 HydrophobicContact CD1-CB 3.66Å; L30-K60 HydrophobicContact CD1-CD 3.66Å; L30-K60 HydrophobicContact CD1-CG 3.53Å; L30-K60 HydrophobicContact CG-CB 4.12Å; L30-K60 HydrophobicContact CG-CD 4.23Å; L30-K60 HydrophobicContact CG-CG 4.36Å; L30-L62 HydrophobicContact CD1-CB 4.05Å; L30-Y69 HydrophobicContact CD2-CD1 4.14Å; L30-Y69 HydrophobicContact CD2-CE1 4.32Å; L30-K71 HydrophobicContact CD2-CB 3.69Å; L30-K71 HydrophobicContact CD2-CD 4.22Å
31	A	80.2	Confident	71.6	Confident	60 Å²	60	93.7 Å²	93.7	50%	0.496	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.2	-179.1	0	0	0	0	0	113	E28 V33	E28-A31 HydrophobicContact CB-CB 3.87Å; E28-A31 WeakPolarHBondContact O-CB 3.32Å; E28-A31 PolarHBondContact O-N 3.16Å; A31-V33 VanDerWaalsContact C-N 3.33Å
32	D	83.5	Confident	74.5	Confident	89 Å²	89	92.8 Å²	92.8	48%	0.476	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.2	177.3	64.7	-20.1	0	0	0	114.2	L30 S34 K71	L30-D32 VanDerWaalsContact C-N 3.25Å; L30-D32 PolarHBondContact O-N 3.44Å; D32-S34 PolarHBondContact O-N 2.92Å; D32-K71 IonicContact OD1-NZ 2.79Å; D32-K71 PolarHBondContact OD1-NZ 2.73Å; D32-K71 IonicContact OD2-NZ 2.65Å; D32-K71 PolarHBondContact OD2-NZ 3.43Å
33	V	88.2	Confident	77.6	Confident	11 Å²	11	83.3 Å²	83.3	7%	0.067	45%	0.454	C	S	.	.			trans	-65.4	105.7	179.9	-178.5	0	0	0	0	109.9	L30 A31 L35 R41 L62 Y69	L30-V33 HydrophobicContact CB-CG2 4.24Å; L30-V33 HydrophobicContact CD2-CG2 4.01Å; L30-V33 WeakPolarHBondContact O-CB 3.46Å; L30-V33 WeakPolarHBondContact O-CG2 3.46Å; L30-V33 PolarHBondContact O-N 2.92Å; A31-V33 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.44Å; V33-R41 PolarHBondContact O-NH2 3.07Å; V33-L62 HydrophobicContact CB-CD2 4.43Å; V33-L62 HydrophobicContact CG1-CD2 4.1Å; V33-Y69 HydrophobicContact CG1-CD1 4.04Å; V33-Y69 HydrophobicContact CG1-CD2 4.37Å; V33-Y69 HydrophobicContact CG1-CE1 4.22Å; V33-Y69 HydrophobicContact CG1-CG 4.12Å; V33-Y69 HydrophobicContact CG2-CD1 3.74Å; V33-Y69 HydrophobicContact CG2-CE1 3.46Å; V33-Y69 VanDerWaalsContact CG2-CE1 3.46Å
34	S	93	Very high	80.4	Confident	104 Å²	104	78.2 Å²	78.2	73%	0.727	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-67.9	123.5	178.3	-59.8	0	0	0	0	110.6	D32 R67	D32-S34 PolarHBondContact O-N 2.92Å; S34-R67 PolarHBondContact O-NH2 2.94Å
35	L	96.1	Very high	83.1	Confident	65 Å²	65	76.2 Å²	76.2	34%	0.34	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-91	149.7	-179.9	-55.8	176.8	0	0	0	111	V33 E39 R41 L62 T64	V33-L35 PolarHBondContact O-N 3.44Å; L35-E39 VanDerWaalsContact CA-OE2 3.32Å; L35-E39 WeakPolarHBondContact CA-OE2 3.4Å; L35-E39 HydrophobicContact CB-CB 4.2Å; L35-E39 HydrophobicContact CB-CG 4.41Å; L35-E39 WeakPolarHBondContact CD1-O 3.29Å; L35-E39 HydrophobicContact CD2-CG 4.21Å; L35-R41 HydrophobicContact CD1-CG 3.76Å; L35-R41 HydrophobicContact CD2-CG 4.26Å; L35-L62 HydrophobicContact CD2-CD2 4.29Å; L35-T64 HydrophobicContact CD2-CG2 4.11Å
36	L	97.3	Very high	85.8	Confident	37 Å²	37	73.8 Å²	73.8	19%	0.194	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-71.1	152.1	168.1	-60.6	178.5	0	0	0	110.7	G38 E39 Y66 F149	L36-G38 PolarHBondContact O-N 3.42Å; L36-G38 VanDerWaalsContact O-N 3.16Å; L36-E39 HydrophobicContact CB-CB 4Å; L36-E39 PolarHBondContact N-OE2 3.46Å; L36-E39 WeakPolarHBondContact O-CB 3.38Å; L36-E39 PolarHBondContact O-N 2.97Å; L36-Y66 HydrophobicContact CD1-CD1 3.81Å; L36-Y66 HydrophobicContact CD1-CE1 3.67Å; L36-F149 HydrophobicContact CB-CZ 4.29Å; L36-F149 HydrophobicContact CD1-CE1 4.07Å; L36-F149 HydrophobicContact CD1-CZ 4.47Å
37	P	97.8	Very high	88.4	Confident	65 Å²	65	64.7 Å²	64.7	42%	0.422	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	118.7	167.7	-28	35.3	0	0	0	112.4	Q154 E155	P37-Q154 HydrophobicContact CB-CB 3.92Å; P37-Q154 PolarHBondContact O-N 2.75Å; P37-E155 HydrophobicContact CB-CG 4.3Å; P37-E155 HydrophobicContact CG-CG 3.98Å
38	G	96.9	Very high	90.6	Very high	16 Å²	16	58.7 Å²	58.7	17%	0.165	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-1.9	-172.9	0	0	0	0	0	115	L36 N65 F149 V152	L36-G38 PolarHBondContact O-N 3.42Å; L36-G38 VanDerWaalsContact O-N 3.16Å; G38-N65 PolarHBondContact O-ND2 2.82Å; G38-F149 WeakPolarHBondContact O-CE2 3.36Å; G38-V152 WeakPolarHBondContact O-CG1 3.49Å
39	E	98.1	Very high	91.8	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.033	29%	0.294	C	S	.	.			trans	-85.2	118.7	173.4	-177.3	-177	-162.7	0	0	111.7	L35 L36 T64 N65 R67 F149	L35-E39 VanDerWaalsContact CA-OE2 3.32Å; L35-E39 WeakPolarHBondContact CA-OE2 3.4Å; L35-E39 HydrophobicContact CB-CB 4.2Å; L35-E39 HydrophobicContact CB-CG 4.41Å; L35-E39 WeakPolarHBondContact CD1-O 3.29Å; L35-E39 HydrophobicContact CD2-CG 4.21Å; L36-E39 HydrophobicContact CB-CB 4Å; L36-E39 PolarHBondContact N-OE2 3.46Å; L36-E39 WeakPolarHBondContact O-CB 3.38Å; L36-E39 PolarHBondContact O-N 2.97Å; E39-T64 HydrophobicContact CG-CG2 3.94Å; E39-T64 VanDerWaalsContact OE1-CB 3.27Å; E39-T64 WeakPolarHBondContact OE1-CB 3.34Å; E39-T64 VanDerWaalsContact OE1-CG2 3.23Å; E39-T64 WeakPolarHBondContact OE1-CG2 3.22Å; E39-T64 PolarHBondContact OE1-OG1 3.12Å; E39-N65 VanDerWaalsContact CA-OD1 3.27Å; E39-N65 WeakPolarHBondContact CA-OD1 3.44Å; E39-R67 WeakPolarHBondContact OE1-CG 3.43Å; E39-R67 IonicContact OE1-CZ 2.67Å; E39-R67 IonicContact OE1-NE 3.5Å; E39-R67 PolarHBondContact OE1-NE 2.92Å; E39-R67 IonicContact OE1-NH2 3.79Å; E39-R67 PolarHBondContact OE1-NH2 3Å; E39-R67 IonicContact OE2-CZ 3.8Å; E39-R67 IonicContact OE2-NE 3.69Å; E39-R67 PolarHBondContact OE2-NE 3.23Å; E39-R67 IonicContact OE2-NH2 2.69Å; E39-R67 PolarHBondContact OE2-NH2 3.05Å; E39-F149 HydrophobicContact CB-CE2 4.07Å; E39-F149 HydrophobicContact CB-CZ 4Å
40	D	96.3	Very high	92.6	Very high	94 Å²	94	53.2 Å²	53.2	50%	0.503	29%	0.294	S	S	.	.			trans	-106.8	139.3	-178.1	-64	-55.3	0	0	0	111.7	I42 T64 N65	D40-I42 PolarHBondContact O-N 2.74Å; D40-T64 CarbonylContact O-C 3.49Å; D40-T64 WeakPolarHBondContact O-CA 3.38Å; D40-T64 WeakPolarHBondContact O-CB 3.46Å; D40-N65 PolarHBondContact N-ND2 3.22Å; D40-N65 PolarHBondContact N-OD1 3.41Å; D40-N65 PolarHBondContact O-N 2.94Å; D40-N65 PolarHBondContact OD2-ND2 3.04Å
41	R	96.1	Very high	93	Very high	96 Å²	96	53.7 Å²	53.7	36%	0.362	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.8	171.2	-60.7	-171.7	173.8	-131.7	-5.2	109.7	L30 V33 L35 L62	L30-R41 VanDerWaalsContact O-CZ 3.28Å; L30-R41 PolarHBondContact O-NH1 3.37Å; L30-R41 PolarHBondContact O-NH2 2.99Å; V33-R41 PolarHBondContact O-NH2 3.07Å; L35-R41 HydrophobicContact CD1-CG 3.76Å; L35-R41 HydrophobicContact CD2-CG 4.26Å; R41-L62 HydrophobicContact CB-CD1 4.11Å; R41-L62 HydrophobicContact CG-CD1 4Å; R41-L62 HydrophobicContact CG-CD2 4.39Å
42	I	94.6	Very high	93.5	Very high	52 Å²	52	53.1 Å²	53.1	27%	0.267	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-51	179.5	-58.2	-52.6	0	0	0	110.9	D40 I63 N65 M134 Y138	D40-I42 PolarHBondContact O-N 2.74Å; I42-I63 WeakPolarHBondContact CB-O 3.01Å; I42-I63 PolarHBondContact N-O 3.48Å; I42-N65 HydrophobicContact CD1-CB 4.48Å; I42-M134 HydrophobicContact CG2-CG 4.41Å; I42-M134 HydrophobicContact CG2-SD 3.92Å; I42-Y138 HydrophobicContact CB-CE2 4.28Å; I42-Y138 HydrophobicContact CD1-CE1 4.02Å; I42-Y138 HydrophobicContact CD1-CE2 4.12Å; I42-Y138 HydrophobicContact CG1-CD2 4.22Å; I42-Y138 HydrophobicContact CG1-CE1 4.26Å; I42-Y138 HydrophobicContact CG1-CE2 3.86Å; I42-Y138 HydrophobicContact CG2-CD2 4.1Å; I42-Y138 HydrophobicContact CG2-CE2 3.48Å; I42-Y138 VanDerWaalsContact CG2-CE2 3.48Å
43	T	92.8	Very high	93.7	Very high	53 Å²	53	51.5 Å²	51.5	33%	0.325	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	154.7	-179.7	-173.7	0	0	0	0	109.4	I63 M134	T43-I63 HydrophobicContact CG2-CB 3.97Å; T43-I63 HydrophobicContact CG2-CG1 4.11Å; T43-I63 PolarHBondContact N-O 3.37Å; T43-I63 PolarHBondContact O-N 2.95Å; T43-M134 HydrophobicContact CG2-CB 4.15Å; T43-M134 HydrophobicContact CG2-CG 3.97Å
44	D	91.4	Very high	93.5	Very high	52 Å²	52	55.6 Å²	55.6	28%	0.278	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157.3	161.4	66.3	26.5	0	0	0	111.7	L30 K60 V61 L62	L30-D44 HydrophobicContact CD1-CB 3.92Å; D44-K60 WeakPolarHBondContact OD1-CE 3.32Å; D44-K60 IonicContact OD1-NZ 2.7Å; D44-K60 PolarHBondContact OD1-NZ 2.93Å; D44-K60 WeakPolarHBondContact OD2-CE 3.47Å; D44-K60 IonicContact OD2-NZ 3.88Å; D44-K60 PolarHBondContact OD2-NZ 3.38Å; D44-V61 CarbonylContact C-O 3.59Å; D44-V61 WeakPolarHBondContact CA-O 3.49Å; D44-V61 VanDerWaalsContact CB-O 3.3Å; D44-V61 WeakPolarHBondContact CB-O 3.39Å; D44-L62 HydrophobicContact CB-CD1 4.15Å
45	Q	90.4	Very high	93.4	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	138.6	-171	-176.8	54.2	70	0	0	110.8	K60 V61 L121 I131	Q45-K60 WeakPolarHBondContact O-CA 3.18Å; Q45-K60 WeakPolarHBondContact O-CG 3.48Å; Q45-V61 HydrophobicContact CB-CG1 4.37Å; Q45-V61 PolarHBondContact N-O 2.89Å; Q45-V61 PolarHBondContact O-N 2.98Å; Q45-L121 HydrophobicContact CG-CD2 4.44Å; Q45-I131 HydrophobicContact CB-CD1 4.41Å
46	E	92.1	Very high	93.2	Very high	131 Å²	131	52 Å²	52	61%	0.612	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.6	167.1	-68.2	-168.4	154.6	0	0	110.2
47	I	93.4	Very high	93	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	160.7	-173.2	-156.1	155.5	0	0	0	111.6	G59 V61 F70 F119 A120 L121 I131	I47-G59 PolarHBondContact N-O 2.96Å; I47-G59 PolarHBondContact O-N 3.32Å; I47-V61 HydrophobicContact CB-CG1 4.16Å; I47-V61 HydrophobicContact CD1-CG1 4.11Å; I47-V61 HydrophobicContact CG2-CB 3.85Å; I47-V61 HydrophobicContact CG2-CG1 3.66Å; I47-F70 HydrophobicContact CG2-CD2 3.67Å; I47-F70 HydrophobicContact CG2-CE2 3.69Å; I47-F119 HydrophobicContact CD1-CB 3.6Å; I47-F119 HydrophobicContact CD1-CD1 4.16Å; I47-F119 HydrophobicContact CD1-CG 4.09Å; I47-F119 HydrophobicContact CG1-CB 3.94Å; I47-F119 HydrophobicContact CG1-CD1 4.25Å; I47-F119 HydrophobicContact CG1-CG 4.49Å; I47-F119 HydrophobicContact CG2-CD1 4.12Å; I47-A120 VanDerWaalsContact CG1-O 3.32Å; I47-A120 WeakPolarHBondContact CG1-O 3.3Å; I47-L121 HydrophobicContact CD1-CD1 3.9Å; I47-L121 HydrophobicContact CD1-CD2 4Å; I47-L121 HydrophobicContact CD1-CG 3.84Å; I47-L121 HydrophobicContact CG1-CD1 4.46Å; I47-L121 HydrophobicContact CG1-CD2 4.29Å; I47-L121 HydrophobicContact CG1-CG 3.97Å; I47-I131 HydrophobicContact CD1-CD1 3.7Å
48	I	94.3	Very high	92.8	Very high	36 Å²	36	55 Å²	55	19%	0.185	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.8	173.8	-55.7	-177.9	0	0	0	107.9	M50 A56 V57 K58 N103 F119 A120	I48-M50 HydrophobicContact CG2-SD 4.06Å; I48-A56 HydrophobicContact CG2-CB 3.86Å; I48-V57 CarbonylContact C-O 3.56Å; I48-V57 WeakPolarHBondContact CA-O 3.45Å; I48-K58 HydrophobicContact CD1-CG 4.34Å; I48-K58 HydrophobicContact CG1-CG 4.08Å; I48-N103 WeakPolarHBondContact CD1-OD1 3.41Å; I48-F119 CarbonylContact O-C 3.53Å; I48-F119 VanDerWaalsContact O-CA 3.26Å; I48-F119 WeakPolarHBondContact O-CA 3.14Å; I48-A120 HydrophobicContact CB-CB 4.15Å; I48-A120 PolarHBondContact N-O 2.62Å; I48-A120 PolarHBondContact O-N 3.39Å
49	Y	94.9	Very high	92.6	Very high	9 Å²	9	54.4 Å²	54.4	4%	0.035	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.4	169.6	174.7	-121.8	0	0	0	109.5	C51 V57 F70 L79 L81 L117 R118 F119	Y49-C51 HydrophobicContact CD1-CB 3.73Å; Y49-C51 VanDerWaalsContact CE1-CA 3.43Å; Y49-C51 HydrophobicContact CE1-CB 3.37Å; Y49-C51 PolarHBondContact O-N 2.88Å; Y49-C51 VanDerWaalsContact O-N 3.16Å; Y49-V57 PolarHBondContact N-O 3.4Å; Y49-V57 PolarHBondContact O-N 2.94Å; Y49-F70 HydrophobicContact CD1-CE1 4.5Å; Y49-F70 HydrophobicContact CG-CE1 4.47Å; Y49-L79 HydrophobicContact CD1-CD2 3.67Å; Y49-L79 HydrophobicContact CE1-CD2 3.93Å; Y49-L81 HydrophobicContact CD1-CD1 3.89Å; Y49-L81 HydrophobicContact CD2-CD1 3.74Å; Y49-L81 HydrophobicContact CE1-CD1 3.77Å; Y49-L81 HydrophobicContact CE1-CD2 4.2Å; Y49-L81 HydrophobicContact CE1-CG 4.43Å; Y49-L81 HydrophobicContact CE2-CD1 3.65Å; Y49-L81 HydrophobicContact CG-CD1 3.87Å; Y49-L117 HydrophobicContact CE2-CB 4.44Å; Y49-L117 HydrophobicContact CE2-CD2 4.03Å; Y49-R118 WeakPolarHBondContact CD2-O 3.48Å; Y49-F119 AromaticContact CD2-CD1 4Å; Y49-F119 HydrophobicContact CD2-CD1 4Å; Y49-F119 AromaticContact CD2-CE1 3.61Å; Y49-F119 HydrophobicContact CD2-CE1 3.61Å; Y49-F119 AromaticContact CD2-CZ 3.95Å; Y49-F119 HydrophobicContact CD2-CZ 3.95Å; Y49-F119 HydrophobicContact CG-CE1 4.1Å
50	M	94.3	Very high	92.4	Very high	60 Å²	60	55.8 Å²	55.8	30%	0.296	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	81.2	174.6	-61	-60.1	-69.9	0	0	108.2	I48 P52 A56 N103 R118 A120	I48-M50 HydrophobicContact CG2-SD 4.06Å; M50-P52 WeakPolarHBondContact O-CD 3.44Å; M50-A56 HydrophobicContact CE-CB 4.21Å; M50-A56 HydrophobicContact SD-CB 3.66Å; M50-N103 HydrophobicContact CE-CB 3.81Å; M50-N103 HydrophobicContact SD-CB 3.61Å; M50-R118 HydrophobicContact CB-CB 3.85Å; M50-R118 HydrophobicContact CG-CB 4.46Å; M50-R118 PolarHBondContact N-O 3.41Å; M50-A120 HydrophobicContact CG-CB 4.26Å; M50-A120 HydrophobicContact SD-CB 4.36Å
51	C	91	Very high	92.4	Very high	10 Å²	10	51.4 Å²	51.4	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	121.5	177.2	-171.7	0	0	0	0	109.3	Y49 F53 N54 G55	Y49-C51 HydrophobicContact CD1-CB 3.73Å; Y49-C51 VanDerWaalsContact CE1-CA 3.43Å; Y49-C51 HydrophobicContact CE1-CB 3.37Å; Y49-C51 PolarHBondContact O-N 2.88Å; Y49-C51 VanDerWaalsContact O-N 3.16Å; C51-F53 PolarHBondContact O-N 3.19Å; C51-F53 VanDerWaalsContact O-N 3.15Å; C51-N54 HydrophobicContact CB-CB 4.15Å; C51-N54 PolarHBondContact O-N 3.33Å; C51-G55 WeakPolarHBondContact CA-O 3.49Å; C51-G55 VanDerWaalsContact CB-O 3.24Å; C51-G55 WeakPolarHBondContact CB-O 3.33Å; C51-G55 PolarHBondContact N-O 3.22Å; C51-G55 WeakPolarHBondContact O-CA 3.28Å; C51-G55 PolarHBondContact O-N 3.19Å
52	P	90.7	Very high	92.3	Very high	49 Å²	49	46.9 Å²	46.9	32%	0.318	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.1	179.9	27.7	-33.9	0	0	0	113.2	M50 P327	M50-P52 WeakPolarHBondContact O-CD 3.44Å; P52-P327 HydrophobicContact CB-CB 3.46Å; P52-P327 VanDerWaalsContact CB-CB 3.46Å; P52-P327 HydrophobicContact CB-CG 4.17Å; P52-P327 HydrophobicContact CG-CB 3.84Å
53	F	88	Confident	92.5	Very high	54 Å²	54	44.4 Å²	44.4	24%	0.237	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-32.4	-179.1	-49.4	-69.8	0	0	0	113.6	C51 Y326 P327 W537 N538 P539	C51-F53 PolarHBondContact O-N 3.19Å; C51-F53 VanDerWaalsContact O-N 3.15Å; F53-Y326 HydrophobicContact CE2-CE2 4.19Å; F53-Y326 HydrophobicContact CZ-CD2 4.44Å; F53-Y326 AromaticContact CZ-CE2 3.99Å; F53-Y326 HydrophobicContact CZ-CE2 3.99Å; F53-P327 VanDerWaalsContact CE1-O 3.22Å; F53-P327 WeakPolarHBondContact CE1-O 3.32Å; F53-W537 VanDerWaalsContact CE2-O 3.22Å; F53-W537 WeakPolarHBondContact CE2-O 3.2Å; F53-N538 HydrophobicContact CE1-CB 3.9Å; F53-N538 HydrophobicContact CZ-CB 4.04Å; F53-P539 HydrophobicContact CB-CG 4.08Å; F53-P539 VanDerWaalsContact CD2-CD 3.41Å; F53-P539 HydrophobicContact CD2-CG 4.05Å; F53-P539 VanDerWaalsContact CG-CD 3.43Å; F53-P539 HydrophobicContact CG-CG 4.15Å
54	N	84.9	Confident	92.7	Very high	98 Å²	98	41.9 Å²	41.9	52%	0.524	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	3.3	-171	-64.2	47.2	0	0	0	113.4	C51	C51-N54 HydrophobicContact CB-CB 4.15Å; C51-N54 PolarHBondContact O-N 3.33Å
55	G	89.3	Confident	93	Very high	38 Å²	38	40.6 Å²	40.6	39%	0.392	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.1	-157.7	-177.9	0	0	0	0	0	114.2	C51	C51-G55 WeakPolarHBondContact CA-O 3.49Å; C51-G55 VanDerWaalsContact CB-O 3.24Å; C51-G55 WeakPolarHBondContact CB-O 3.33Å; C51-G55 PolarHBondContact N-O 3.22Å; C51-G55 WeakPolarHBondContact O-CA 3.28Å; C51-G55 PolarHBondContact O-N 3.19Å
56	A	92.4	Very high	93.4	Very high	55 Å²	55	37.9 Å²	37.9	46%	0.455	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.5	-174.9	0	0	0	0	0	111.8	I48 M50	I48-A56 HydrophobicContact CG2-CB 3.86Å; M50-A56 HydrophobicContact CE-CB 4.21Å; M50-A56 HydrophobicContact SD-CB 3.66Å
57	V	93.1	Very high	93.7	Very high	13 Å²	13	32.6 Å²	32.6	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.3	-179.7	-176.9	0	0	0	0	109.8	I48 Y49 F70 S72 L79	I48-V57 CarbonylContact C-O 3.56Å; I48-V57 WeakPolarHBondContact CA-O 3.45Å; Y49-V57 PolarHBondContact N-O 3.4Å; Y49-V57 PolarHBondContact O-N 2.94Å; V57-F70 HydrophobicContact CG1-CE1 4.32Å; V57-F70 HydrophobicContact CG1-CZ 4.28Å; V57-S72 WeakPolarHBondContact CG1-OG 3.42Å; V57-L79 HydrophobicContact CB-CD2 4.3Å; V57-L79 HydrophobicContact CG1-CD2 4.32Å; V57-L79 HydrophobicContact CG2-CD2 3.99Å
58	K	93.3	Very high	93.9	Very high	153 Å²	153	32.3 Å²	32.3	67%	0.665	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.8	175.1	-69.6	173.4	-178.3	169.9	0	109.9	I48 S73	I48-K58 HydrophobicContact CD1-CG 4.34Å; I48-K58 HydrophobicContact CG1-CG 4.08Å; K58-S73 PolarHBondContact O-N 2.74Å
59	G	93.5	Very high	94	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	-168.3	-179.5	0	0	0	0	0	113.4	I47 K71 S73	I47-G59 PolarHBondContact N-O 2.96Å; I47-G59 PolarHBondContact O-N 3.32Å; G59-K71 CarbonylContact C-O 3.58Å; G59-K71 WeakPolarHBondContact CA-O 3.13Å; G59-S73 WeakPolarHBondContact CA-OG 3.09Å
60	K	93.9	Very high	94	Very high	36 Å²	36	32.2 Å²	32.2	16%	0.157	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.2	173	-156	179.4	-173.8	-152.9	0	108.6	L29 L30 D44 Q45 K71	L29-K60 HydrophobicContact CD2-CB 3.98Å; L30-K60 HydrophobicContact CD1-CB 3.66Å; L30-K60 HydrophobicContact CD1-CD 3.66Å; L30-K60 HydrophobicContact CD1-CG 3.53Å; L30-K60 HydrophobicContact CG-CB 4.12Å; L30-K60 HydrophobicContact CG-CD 4.23Å; L30-K60 HydrophobicContact CG-CG 4.36Å; D44-K60 WeakPolarHBondContact OD1-CE 3.32Å; D44-K60 IonicContact OD1-NZ 2.7Å; D44-K60 PolarHBondContact OD1-NZ 2.93Å; D44-K60 WeakPolarHBondContact OD2-CE 3.47Å; D44-K60 IonicContact OD2-NZ 3.88Å; D44-K60 PolarHBondContact OD2-NZ 3.38Å; Q45-K60 WeakPolarHBondContact O-CA 3.18Å; Q45-K60 WeakPolarHBondContact O-CG 3.48Å; K60-K71 PolarHBondContact N-O 3.4Å; K60-K71 PolarHBondContact O-N 3.47Å
61	V	95.1	Very high	94	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.3	175	63.8	0	0	0	0	109.9	D44 Q45 I47 I63 L68 Y69 F70 I131	D44-V61 CarbonylContact C-O 3.59Å; D44-V61 WeakPolarHBondContact CA-O 3.49Å; D44-V61 VanDerWaalsContact CB-O 3.3Å; D44-V61 WeakPolarHBondContact CB-O 3.39Å; Q45-V61 HydrophobicContact CB-CG1 4.37Å; Q45-V61 PolarHBondContact N-O 2.89Å; Q45-V61 PolarHBondContact O-N 2.98Å; I47-V61 HydrophobicContact CB-CG1 4.16Å; I47-V61 HydrophobicContact CD1-CG1 4.11Å; I47-V61 HydrophobicContact CG2-CB 3.85Å; I47-V61 HydrophobicContact CG2-CG1 3.66Å; V61-I63 HydrophobicContact CG2-CD1 3.98Å; V61-L68 HydrophobicContact CG2-CD1 4.22Å; V61-L68 HydrophobicContact CG2-CD2 3.69Å; V61-L68 HydrophobicContact CG2-CG 3.58Å; V61-Y69 CarbonylContact C-O 3.15Å; V61-Y69 WeakPolarHBondContact CA-O 3.23Å; V61-F70 HydrophobicContact CB-CB 4.46Å; V61-F70 HydrophobicContact CB-CD2 4.32Å; V61-F70 HydrophobicContact CG2-CB 4.37Å; V61-I131 HydrophobicContact CG1-CD1 3.61Å
62	L	95.9	Very high	94.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.4	166.1	-178.2	63.4	0	0	0	108.7	L30 V33 L35 R41 D44 T64 Y69	L30-L62 HydrophobicContact CD1-CB 4.05Å; V33-L62 HydrophobicContact CB-CD2 4.43Å; V33-L62 HydrophobicContact CG1-CD2 4.1Å; L35-L62 HydrophobicContact CD2-CD2 4.29Å; R41-L62 HydrophobicContact CB-CD1 4.11Å; R41-L62 HydrophobicContact CG-CD1 4Å; R41-L62 HydrophobicContact CG-CD2 4.39Å; D44-L62 HydrophobicContact CB-CD1 4.15Å; L62-T64 HydrophobicContact CD1-CG2 4.5Å; L62-T64 HydrophobicContact CD2-CG2 3.78Å; L62-T64 HydrophobicContact CG-CG2 3.82Å; L62-Y69 PolarHBondContact N-O 2.65Å; L62-Y69 PolarHBondContact O-N 2.79Å
63	I	97	Very high	94.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.7	163.4	-52.8	-55.6	0	0	0	107.7	I42 T43 V61 L68 I135	I42-I63 WeakPolarHBondContact CB-O 3.01Å; I42-I63 PolarHBondContact N-O 3.48Å; T43-I63 HydrophobicContact CG2-CB 3.97Å; T43-I63 HydrophobicContact CG2-CG1 4.11Å; T43-I63 PolarHBondContact N-O 3.37Å; T43-I63 PolarHBondContact O-N 2.95Å; V61-I63 HydrophobicContact CG2-CD1 3.98Å; I63-L68 HydrophobicContact CD1-CB 3.83Å; I63-L68 HydrophobicContact CD1-CD1 3.8Å; I63-L68 HydrophobicContact CD1-CG 3.6Å; I63-I135 HydrophobicContact CD1-CD1 3.99Å; I63-I135 HydrophobicContact CD1-CG1 3.64Å; I63-I135 HydrophobicContact CG1-CG1 4.02Å
64	T	97.9	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	179.4	170.8	68.7	0	0	0	0	110.5	L35 E39 D40 L62 Y66 R67 L85	L35-T64 HydrophobicContact CD2-CG2 4.11Å; E39-T64 HydrophobicContact CG-CG2 3.94Å; E39-T64 VanDerWaalsContact OE1-CB 3.27Å; E39-T64 WeakPolarHBondContact OE1-CB 3.34Å; E39-T64 VanDerWaalsContact OE1-CG2 3.23Å; E39-T64 WeakPolarHBondContact OE1-CG2 3.22Å; E39-T64 PolarHBondContact OE1-OG1 3.12Å; D40-T64 CarbonylContact O-C 3.49Å; D40-T64 WeakPolarHBondContact O-CA 3.38Å; D40-T64 WeakPolarHBondContact O-CB 3.46Å; L62-T64 HydrophobicContact CD1-CG2 4.5Å; L62-T64 HydrophobicContact CD2-CG2 3.78Å; L62-T64 HydrophobicContact CG-CG2 3.82Å; T64-Y66 PolarHBondContact O-N 2.89Å; T64-Y66 PolarHBondContact OG1-N 3.3Å; T64-Y66 VanDerWaalsContact OG1-N 3.13Å; T64-R67 PolarHBondContact N-O 2.9Å; T64-R67 PolarHBondContact OG1-N 3.14Å; T64-R67 PolarHBondContact OG1-O 3.41Å; T64-L85 WeakPolarHBondContact O-CD1 3.41Å
65	N	97.4	Very high	92.9	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	20%	0.198	C	C	.	.	S	Bend	trans	-69.4	-4.3	167.4	64.3	-3.2	0	0	0	113.3	G38 E39 D40 I42 Y138	G38-N65 PolarHBondContact O-ND2 2.82Å; E39-N65 VanDerWaalsContact CA-OD1 3.27Å; E39-N65 WeakPolarHBondContact CA-OD1 3.44Å; D40-N65 PolarHBondContact N-ND2 3.22Å; D40-N65 PolarHBondContact N-OD1 3.41Å; D40-N65 PolarHBondContact O-N 2.94Å; D40-N65 PolarHBondContact OD2-ND2 3.04Å; I42-N65 HydrophobicContact CD1-CB 4.48Å; N65-Y138 HydrophobicContact CB-CD1 4.22Å; N65-Y138 HydrophobicContact CB-CE1 4.33Å
66	Y	98.4	Very high	92	Very high	15 Å²	15	41.2 Å²	41.2	6%	0.059	22%	0.218	C	C	.	.	S	Bend	trans	-119.5	-44.7	-178.6	173.9	-122	0	0	0	114.8	L36 T64 P84 L85 F149 R470	L36-Y66 HydrophobicContact CD1-CD1 3.81Å; L36-Y66 HydrophobicContact CD1-CE1 3.67Å; T64-Y66 PolarHBondContact O-N 2.89Å; T64-Y66 PolarHBondContact OG1-N 3.3Å; T64-Y66 VanDerWaalsContact OG1-N 3.13Å; Y66-P84 HydrophobicContact CE1-CG 4.45Å; Y66-P84 HydrophobicContact CE2-CB 3.99Å; Y66-P84 CarbonylContact O-C 3.53Å; Y66-P84 WeakPolarHBondContact OH-CG 3.13Å; Y66-L85 WeakPolarHBondContact O-CG 3.42Å; Y66-L85 PolarHBondContact O-N 2.92Å; Y66-F149 HydrophobicContact CD1-CE1 4.44Å; Y66-F149 HydrophobicContact CD2-CB 3.98Å; Y66-F149 AromaticContact CD2-CD1 3.22Å; Y66-F149 HydrophobicContact CD2-CD1 3.22Å; Y66-F149 HydrophobicContact CD2-CD2 4.42Å; Y66-F149 AromaticContact CD2-CE1 3.8Å; Y66-F149 HydrophobicContact CD2-CE1 3.8Å; Y66-F149 AromaticContact CD2-CG 3.61Å; Y66-F149 HydrophobicContact CD2-CG 3.61Å; Y66-F149 AromaticContact CE2-CD1 3.89Å; Y66-F149 HydrophobicContact CE2-CD1 3.89Å; Y66-F149 HydrophobicContact CE2-CE1 4.41Å; Y66-F149 AromaticContact CG-CD1 3.67Å; Y66-F149 HydrophobicContact CG-CD1 3.67Å; Y66-F149 HydrophobicContact CG-CD2 4.39Å; Y66-F149 AromaticContact CG-CE1 3.82Å; Y66-F149 HydrophobicContact CG-CE1 3.82Å; Y66-F149 HydrophobicContact CG-CE2 4.5Å; Y66-F149 AromaticContact CG-CG 3.99Å; Y66-F149 HydrophobicContact CG-CG 3.99Å; Y66-F149 HydrophobicContact CG-CZ 4.24Å; Y66-R470 HydrophobicContact CE2-CB 3.8Å; Y66-R470 HydrophobicContact CE2-CG 4.33Å
67	R	98.1	Very high	90.9	Very high	21 Å²	21	41.4 Å²	41.4	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.5	-171	57.8	178.5	159.8	169	-2	113.2	S34 E39 T64 D82 V83	S34-R67 PolarHBondContact O-NH2 2.94Å; E39-R67 WeakPolarHBondContact OE1-CG 3.43Å; E39-R67 IonicContact OE1-CZ 2.67Å; E39-R67 IonicContact OE1-NE 3.5Å; E39-R67 PolarHBondContact OE1-NE 2.92Å; E39-R67 IonicContact OE1-NH2 3.79Å; E39-R67 PolarHBondContact OE1-NH2 3Å; E39-R67 IonicContact OE2-CZ 3.8Å; E39-R67 IonicContact OE2-NE 3.69Å; E39-R67 PolarHBondContact OE2-NE 3.23Å; E39-R67 IonicContact OE2-NH2 2.69Å; E39-R67 PolarHBondContact OE2-NH2 3.05Å; T64-R67 PolarHBondContact N-O 2.9Å; T64-R67 PolarHBondContact OG1-N 3.14Å; T64-R67 PolarHBondContact OG1-O 3.41Å; R67-D82 WeakPolarHBondContact CD-OD1 3.39Å; R67-D82 WeakPolarHBondContact CD-OD2 3.27Å; R67-D82 IonicContact CZ-OD2 2.78Å; R67-D82 IonicContact NE-OD2 2.75Å; R67-D82 IonicContact NH1-OD2 3.92Å; R67-D82 PolarHBondContact NH1-OD2 2.7Å; R67-V83 CarbonylContact C-O 3.58Å; R67-V83 VanDerWaalsContact CA-O 3.25Å; R67-V83 WeakPolarHBondContact CA-O 3.45Å; R67-V83 WeakPolarHBondContact CB-O 3.47Å
68	L	97.7	Very high	90.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123	157.5	178.4	159.9	0	0	0	107.2	V61 I63 F70 V83 L85 I109 F119 I135	V61-L68 HydrophobicContact CG2-CD1 4.22Å; V61-L68 HydrophobicContact CG2-CD2 3.69Å; V61-L68 HydrophobicContact CG2-CG 3.58Å; I63-L68 HydrophobicContact CD1-CB 3.83Å; I63-L68 HydrophobicContact CD1-CD1 3.8Å; I63-L68 HydrophobicContact CD1-CG 3.6Å; L68-F70 HydrophobicContact CD2-CB 4.5Å; L68-V83 HydrophobicContact CB-CB 4.3Å; L68-V83 HydrophobicContact CD2-CG2 4.3Å; L68-V83 PolarHBondContact N-O 3.37Å; L68-V83 PolarHBondContact O-N 2.71Å; L68-L85 HydrophobicContact CB-CD2 3.95Å; L68-I109 HydrophobicContact CD1-CD1 4.11Å; L68-F119 HydrophobicContact CD1-CE2 4.06Å; L68-F119 HydrophobicContact CD1-CZ 4.35Å; L68-F119 HydrophobicContact CD2-CE2 4.3Å; L68-F119 HydrophobicContact CD2-CZ 3.82Å; L68-I135 HydrophobicContact CD1-CD1 3.85Å; L68-I135 HydrophobicContact CD1-CG1 4.49Å
69	Y	97.2	Very high	89.8	Confident	43 Å²	43	40.7 Å²	40.7	17%	0.169	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.1	176.5	-173.4	-83.9	0	0	0	110.2	L30 V33 V61 L62 K71 L81 D82	L30-Y69 HydrophobicContact CD2-CD1 4.14Å; L30-Y69 HydrophobicContact CD2-CE1 4.32Å; V33-Y69 HydrophobicContact CG1-CD1 4.04Å; V33-Y69 HydrophobicContact CG1-CD2 4.37Å; V33-Y69 HydrophobicContact CG1-CE1 4.22Å; V33-Y69 HydrophobicContact CG1-CG 4.12Å; V33-Y69 HydrophobicContact CG2-CD1 3.74Å; V33-Y69 HydrophobicContact CG2-CE1 3.46Å; V33-Y69 VanDerWaalsContact CG2-CE1 3.46Å; V61-Y69 CarbonylContact C-O 3.15Å; V61-Y69 WeakPolarHBondContact CA-O 3.23Å; L62-Y69 PolarHBondContact N-O 2.65Å; L62-Y69 PolarHBondContact O-N 2.79Å; Y69-K71 HydrophobicContact CE1-CB 4.12Å; Y69-K71 HydrophobicContact CE1-CD 4.47Å; Y69-L81 CarbonylContact C-O 3.59Å; Y69-L81 VanDerWaalsContact CA-O 3.26Å; Y69-L81 WeakPolarHBondContact CA-O 3.22Å; Y69-D82 HydrophobicContact CD2-CB 4Å; Y69-D82 HydrophobicContact CE2-CB 4.29Å
70	F	96.1	Very high	89.7	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.5	176.1	170.6	-90.5	0	0	0	110.4	I47 Y49 V57 V61 L68 L79 A80 L81 F119	I47-F70 HydrophobicContact CG2-CD2 3.67Å; I47-F70 HydrophobicContact CG2-CE2 3.69Å; Y49-F70 HydrophobicContact CD1-CE1 4.5Å; Y49-F70 HydrophobicContact CG-CE1 4.47Å; V57-F70 HydrophobicContact CG1-CE1 4.32Å; V57-F70 HydrophobicContact CG1-CZ 4.28Å; V61-F70 HydrophobicContact CB-CB 4.46Å; V61-F70 HydrophobicContact CB-CD2 4.32Å; V61-F70 HydrophobicContact CG2-CB 4.37Å; L68-F70 HydrophobicContact CD2-CB 4.5Å; F70-L79 HydrophobicContact CE1-CD2 4.47Å; F70-A80 CarbonylContact O-C 3.57Å; F70-A80 VanDerWaalsContact O-CA 3.23Å; F70-A80 WeakPolarHBondContact O-CA 3.15Å; F70-L81 HydrophobicContact CB-CB 4.16Å; F70-L81 HydrophobicContact CB-CD1 4.19Å; F70-L81 HydrophobicContact CB-CG 4.35Å; F70-L81 HydrophobicContact CD1-CD1 4.21Å; F70-L81 HydrophobicContact CD1-CG 4.21Å; F70-L81 HydrophobicContact CG-CD1 4.45Å; F70-L81 PolarHBondContact N-O 3.17Å; F70-L81 PolarHBondContact O-N 3.32Å; F70-F119 HydrophobicContact CB-CE1 4.29Å; F70-F119 HydrophobicContact CD2-CE1 4.12Å; F70-F119 HydrophobicContact CG-CE1 4.27Å
71	K	94	Very high	89.7	Confident	44 Å²	44	42.2 Å²	42.2	19%	0.191	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.1	173.5	-165.4	175.9	176.4	-171.2	0	109.8	L29 L30 D32 G59 K60 Y69	L29-K71 HydrophobicContact CD1-CD 4.39Å; L29-K71 HydrophobicContact CG-CD 4.34Å; L29-K71 WeakPolarHBondContact O-CD 3.19Å; L29-K71 PolarHBondContact O-NZ 3.01Å; L30-K71 HydrophobicContact CD2-CB 3.69Å; L30-K71 HydrophobicContact CD2-CD 4.22Å; D32-K71 IonicContact OD1-NZ 2.79Å; D32-K71 PolarHBondContact OD1-NZ 2.73Å; D32-K71 IonicContact OD2-NZ 2.65Å; D32-K71 PolarHBondContact OD2-NZ 3.43Å; G59-K71 CarbonylContact C-O 3.58Å; G59-K71 WeakPolarHBondContact CA-O 3.13Å; K60-K71 PolarHBondContact N-O 3.4Å; K60-K71 PolarHBondContact O-N 3.47Å; Y69-K71 HydrophobicContact CE1-CB 4.12Å; Y69-K71 HydrophobicContact CE1-CD 4.47Å
72	S	93.1	Very high	89.7	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	141	173	-172.6	0	0	0	0	111.1	V57 D74 V77 L79	V57-S72 WeakPolarHBondContact CG1-OG 3.42Å; S72-D74 VanDerWaalsContact C-N 3.29Å; S72-D74 WeakPolarHBondContact OG-CB 3.19Å; S72-D74 PolarHBondContact OG-N 3.46Å; S72-D74 VanDerWaalsContact OG-N 3.09Å; S72-D74 PolarHBondContact OG-O 2.97Å; S72-V77 WeakPolarHBondContact CB-O 3.27Å; S72-V77 PolarHBondContact OG-O 2.79Å; S72-L79 PolarHBondContact N-O 3.4Å
73	S	89.1	Confident	89.8	Confident	68 Å²	68	45.4 Å²	45.4	48%	0.476	26%	0.255	S	S	.	.	S	Bend	trans	-82.8	-12.6	167.8	-63.4	0	0	0	0	112	L29 K58 G59	L29-S73 WeakPolarHBondContact CD2-OG 3.31Å; K58-S73 PolarHBondContact O-N 2.74Å; G59-S73 WeakPolarHBondContact CA-OG 3.09Å
74	D	80.6	Confident	89.9	Confident	77 Å²	77	46.5 Å²	46.5	41%	0.412	26%	0.262	S	S	.	.			trans	-87.6	125	178	-168.2	-22	0	0	0	110	S72 E76 V77	S72-D74 VanDerWaalsContact C-N 3.29Å; S72-D74 WeakPolarHBondContact OG-CB 3.19Å; S72-D74 PolarHBondContact OG-N 3.46Å; S72-D74 VanDerWaalsContact OG-N 3.09Å; S72-D74 PolarHBondContact OG-O 2.97Å; D74-E76 WeakPolarHBondContact OD1-CB 3.21Å; D74-E76 PolarHBondContact OD1-N 2.99Å; D74-V77 CarbonylContact O-C 3.04Å
75	T	68.3	Low	89.9	Confident	132 Å²	132	46.6 Å²	46.6	81%	0.81	26%	0.263	S	S	*	.	S	Bend	trans	-78.5	-22	177.9	46.1	0	0	0	0	113.5
76	E	70.5	Confident	90	Very high	172 Å²	172	45.9 Å²	45.9	80%	0.804	26%	0.261	S	S	*	.	S	Bend	trans	-80.4	-27.8	177.4	-60.8	-174	-178.2	0	0	111.5	D74 P78	D74-E76 WeakPolarHBondContact OD1-CB 3.21Å; D74-E76 PolarHBondContact OD1-N 2.99Å; E76-P78 VanDerWaalsContact C-CD 3.4Å; E76-P78 VanDerWaalsContact O-CD 3.22Å; E76-P78 WeakPolarHBondContact O-CD 3.45Å
77	V	68.4	Low	90	Very high	58 Å²	58	45.3 Å²	45.3	35%	0.352	26%	0.26	S	S	.	.	S	Bend	trans	-115.9	77.2	173.4	-169	0	0	0	0	110.1	S72 D74 L79	S72-V77 WeakPolarHBondContact CB-O 3.27Å; S72-V77 PolarHBondContact OG-O 2.79Å; D74-V77 CarbonylContact O-C 3.04Å; V77-L79 VanDerWaalsContact C-N 3.28Å; V77-L79 PolarHBondContact O-N 2.85Å
78	P	77.7	Confident	90	Very high	113 Å²	113	44.4 Å²	44.4	73%	0.734	26%	0.256	S	S	*	.			trans	-71.5	81	178.7	30.4	-36	0	0	0	111.2	E76	E76-P78 VanDerWaalsContact C-CD 3.4Å; E76-P78 VanDerWaalsContact O-CD 3.22Å; E76-P78 WeakPolarHBondContact O-CD 3.45Å
79	L	87.3	Confident	90	Very high	38 Å²	38	45.4 Å²	45.4	20%	0.199	26%	0.263	C	S	.	.			trans	-98.3	125.3	174.5	-179.4	63.4	0	0	0	110.6	Y49 V57 F70 S72 V77 L81	Y49-L79 HydrophobicContact CD1-CD2 3.67Å; Y49-L79 HydrophobicContact CE1-CD2 3.93Å; V57-L79 HydrophobicContact CB-CD2 4.3Å; V57-L79 HydrophobicContact CG1-CD2 4.32Å; V57-L79 HydrophobicContact CG2-CD2 3.99Å; F70-L79 HydrophobicContact CE1-CD2 4.47Å; S72-L79 PolarHBondContact N-O 3.4Å; V77-L79 VanDerWaalsContact C-N 3.28Å; V77-L79 PolarHBondContact O-N 2.85Å; L79-L81 HydrophobicContact CD1-CD2 4.45Å
80	A	90.8	Very high	90	Very high	52 Å²	52	47.7 Å²	47.7	43%	0.43	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.8	168.6	0	0	0	0	0	110.9	F70	F70-A80 CarbonylContact O-C 3.57Å; F70-A80 VanDerWaalsContact O-CA 3.23Å; F70-A80 WeakPolarHBondContact O-CA 3.15Å
81	L	93.6	Very high	90.1	Very high	20 Å²	20	48.2 Å²	48.2	11%	0.105	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.4	170.4	-53	173.3	0	0	0	108.4	Y49 Y69 F70 L79 V83 L117 F119	Y49-L81 HydrophobicContact CD1-CD1 3.89Å; Y49-L81 HydrophobicContact CD2-CD1 3.74Å; Y49-L81 HydrophobicContact CE1-CD1 3.77Å; Y49-L81 HydrophobicContact CE1-CD2 4.2Å; Y49-L81 HydrophobicContact CE1-CG 4.43Å; Y49-L81 HydrophobicContact CE2-CD1 3.65Å; Y49-L81 HydrophobicContact CG-CD1 3.87Å; Y69-L81 CarbonylContact C-O 3.59Å; Y69-L81 VanDerWaalsContact CA-O 3.26Å; Y69-L81 WeakPolarHBondContact CA-O 3.22Å; F70-L81 HydrophobicContact CB-CB 4.16Å; F70-L81 HydrophobicContact CB-CD1 4.19Å; F70-L81 HydrophobicContact CB-CG 4.35Å; F70-L81 HydrophobicContact CD1-CD1 4.21Å; F70-L81 HydrophobicContact CD1-CG 4.21Å; F70-L81 HydrophobicContact CG-CD1 4.45Å; F70-L81 PolarHBondContact N-O 3.17Å; F70-L81 PolarHBondContact O-N 3.32Å; L79-L81 HydrophobicContact CD1-CD2 4.45Å; L81-V83 HydrophobicContact CB-CG2 4.27Å; L81-L117 HydrophobicContact CD1-CD2 4.42Å; L81-F119 HydrophobicContact CD1-CE1 4.44Å; L81-F119 HydrophobicContact CD1-CZ 4.17Å
82	D	95.8	Very high	90.2	Very high	68 Å²	68	49.3 Å²	49.3	36%	0.364	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.9	166.2	-161.7	-38.8	0	0	0	108.6	R67 Y69	R67-D82 WeakPolarHBondContact CD-OD1 3.39Å; R67-D82 WeakPolarHBondContact CD-OD2 3.27Å; R67-D82 IonicContact CZ-OD2 2.78Å; R67-D82 IonicContact NE-OD2 2.75Å; R67-D82 IonicContact NH1-OD2 3.92Å; R67-D82 PolarHBondContact NH1-OD2 2.7Å; Y69-D82 HydrophobicContact CD2-CB 4Å; Y69-D82 HydrophobicContact CE2-CB 4.29Å
83	V	97.8	Very high	90.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	94.9	-169.9	-169.8	0	0	0	0	109.5	R67 L68 L81 L85 L117	R67-V83 CarbonylContact C-O 3.58Å; R67-V83 VanDerWaalsContact CA-O 3.25Å; R67-V83 WeakPolarHBondContact CA-O 3.45Å; R67-V83 WeakPolarHBondContact CB-O 3.47Å; L68-V83 HydrophobicContact CB-CB 4.3Å; L68-V83 HydrophobicContact CD2-CG2 4.3Å; L68-V83 PolarHBondContact N-O 3.37Å; L68-V83 PolarHBondContact O-N 2.71Å; L81-V83 HydrophobicContact CB-CG2 4.27Å; V83-L85 PolarHBondContact O-N 3.03Å; V83-L117 HydrophobicContact CB-CD1 4.39Å; V83-L117 HydrophobicContact CG1-CD1 3.95Å; V83-L117 HydrophobicContact CG2-CD1 3.71Å
84	P	98.3	Very high	90.4	Very high	23 Å²	23	52.2 Å²	52.2	15%	0.149	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	129.3	172.6	-25.5	35	0	0	0	111	Y66 G86 V87	Y66-P84 HydrophobicContact CE1-CG 4.45Å; Y66-P84 HydrophobicContact CE2-CB 3.99Å; Y66-P84 CarbonylContact O-C 3.53Å; Y66-P84 WeakPolarHBondContact OH-CG 3.13Å; P84-G86 PolarHBondContact O-N 3.09Å; P84-V87 HydrophobicContact CB-CG2 4.05Å; P84-V87 HydrophobicContact CG-CG2 4.46Å; P84-V87 WeakPolarHBondContact O-CB 3.32Å; P84-V87 WeakPolarHBondContact O-CG2 3.3Å; P84-V87 PolarHBondContact O-N 2.92Å
85	L	98.5	Very high	90.7	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-64.5	-27.9	-170.1	-64.7	177.1	0	0	0	112.8	T64 Y66 L68 V83 V87 I88 A139	T64-L85 WeakPolarHBondContact O-CD1 3.41Å; Y66-L85 WeakPolarHBondContact O-CG 3.42Å; Y66-L85 PolarHBondContact O-N 2.92Å; L68-L85 HydrophobicContact CB-CD2 3.95Å; V83-L85 PolarHBondContact O-N 3.03Å; L85-V87 PolarHBondContact O-N 2.81Å; L85-V87 VanDerWaalsContact O-N 3.17Å; L85-I88 HydrophobicContact CD2-CD1 3.75Å; L85-I88 VanDerWaalsContact O-CB 3.31Å; L85-I88 WeakPolarHBondContact O-CB 3.3Å; L85-I88 PolarHBondContact O-N 3.3Å; L85-A139 HydrophobicContact CB-CB 4.17Å
86	G	98.1	Very high	91.5	Very high	9 Å²	9	45 Å²	45	9%	0.093	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-63.9	-16.6	174.8	0	0	0	0	0	115	P84 I88 K112 Y467	P84-G86 PolarHBondContact O-N 3.09Å; G86-I88 VanDerWaalsContact C-N 3.33Å; G86-K112 WeakPolarHBondContact O-CE 3.36Å; G86-K112 PolarHBondContact O-NZ 2.84Å; G86-Y467 CarbonylContact C-O 3.56Å; G86-Y467 WeakPolarHBondContact CA-O 3.38Å
87	V	98.3	Very high	91.8	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-75.2	-22.5	172.5	-179.9	0	0	0	0	111.8	P84 L85 S89 C111 K112 D113	P84-V87 HydrophobicContact CB-CG2 4.05Å; P84-V87 HydrophobicContact CG-CG2 4.46Å; P84-V87 WeakPolarHBondContact O-CB 3.32Å; P84-V87 WeakPolarHBondContact O-CG2 3.3Å; P84-V87 PolarHBondContact O-N 2.92Å; L85-V87 PolarHBondContact O-N 2.81Å; L85-V87 VanDerWaalsContact O-N 3.17Å; V87-S89 PolarHBondContact O-N 2.85Å; V87-C111 HydrophobicContact CG1-CB 4.06Å; V87-C111 WeakPolarHBondContact O-CA 3.24Å; V87-K112 WeakPolarHBondContact O-CB 3.41Å; V87-K112 VanDerWaalsContact O-CG 3.28Å; V87-K112 WeakPolarHBondContact O-CG 3.42Å; V87-K112 PolarHBondContact O-N 3.41Å; V87-D113 HydrophobicContact CG1-CB 3.67Å; V87-D113 WeakPolarHBondContact CG1-OD1 3.23Å; V87-D113 WeakPolarHBondContact CG1-OD2 3.2Å
88	I	98.6	Very high	92.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.9	178.1	-61.9	175.4	0	0	0	109	L85 G86 V91 I109 K112 I135 A139 F140	L85-I88 HydrophobicContact CD2-CD1 3.75Å; L85-I88 VanDerWaalsContact O-CB 3.31Å; L85-I88 WeakPolarHBondContact O-CB 3.3Å; L85-I88 PolarHBondContact O-N 3.3Å; G86-I88 VanDerWaalsContact C-N 3.33Å; I88-V91 HydrophobicContact CG2-CG2 3.63Å; I88-I109 HydrophobicContact CB-CG2 4.28Å; I88-I109 HydrophobicContact CD1-CG2 3.91Å; I88-I109 HydrophobicContact CG1-CG2 3.77Å; I88-I109 HydrophobicContact CG2-CG2 3.67Å; I88-K112 WeakPolarHBondContact O-CE 3.11Å; I88-I135 HydrophobicContact CD1-CG2 3.88Å; I88-A139 HydrophobicContact CB-CB 4.04Å; I88-A139 HydrophobicContact CD1-CB 4.09Å; I88-A139 HydrophobicContact CG2-CB 4.2Å; I88-F140 HydrophobicContact CG2-CZ 4.02Å
89	S	97.8	Very high	92.6	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.154	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-41.2	175	-163.4	0	0	0	0	111.2	V87 T110 H425	V87-S89 PolarHBondContact O-N 2.85Å; S89-T110 WeakPolarHBondContact CA-O 3.34Å; S89-T110 WeakPolarHBondContact CB-O 3.43Å; S89-T110 PolarHBondContact N-O 3.31Å; S89-H425 WeakPolarHBondContact O-CB 3.24Å
90	R	97.6	Very high	92.1	Very high	91 Å²	91	49.4 Å²	49.4	34%	0.343	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.7	-174.5	-167.6	-176.6	-167	-151.9	-1.3	110.2	E92 I109 T110 H425	R90-E92 WeakPolarHBondContact CD-OE2 3.45Å; R90-E92 HydrophobicContact CG-CG 4.02Å; R90-E92 IonicContact CZ-OE1 3.3Å; R90-E92 IonicContact CZ-OE2 3.63Å; R90-E92 IonicContact NE-OE1 3.2Å; R90-E92 IonicContact NE-OE2 3.35Å; R90-E92 PolarHBondContact NE-OE2 2.93Å; R90-E92 IonicContact NH1-OE1 3.55Å; R90-E92 PolarHBondContact NH1-OE1 3.48Å; R90-E92 IonicContact NH1-OE2 3.52Å; R90-E92 PolarHBondContact NH1-OE2 3.08Å; R90-E92 IonicContact NH2-OE1 2.69Å; R90-E92 PolarHBondContact NH2-OE1 2.92Å; R90-E92 IonicContact NH2-OE2 2.78Å; R90-I109 WeakPolarHBondContact O-CA 3.44Å; R90-T110 PolarHBondContact N-O 3.06Å; R90-T110 VanDerWaalsContact N-O 3.14Å; R90-T110 PolarHBondContact O-N 2.92Å; R90-H425 HydrophobicContact CB-CB 4.3Å; R90-H425 PolarHBondContact NE-CE1 2.95Å; R90-H425 VanDerWaalsContact NE-CE1 3.31Å; R90-H425 PolarHBondContact NE-NE2 3.37Å
91	V	97.8	Very high	91.5	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.8	172.4	-175.5	0	0	0	0	107.9	I88 I109 F132 I135 F136 F140	I88-V91 HydrophobicContact CG2-CG2 3.63Å; V91-I109 HydrophobicContact CG1-CG1 4.35Å; V91-I109 HydrophobicContact CG2-CG2 4.49Å; V91-F132 HydrophobicContact CB-CE2 4.26Å; V91-F132 HydrophobicContact CG1-CD2 3.72Å; V91-F132 HydrophobicContact CG1-CE2 3.81Å; V91-I135 HydrophobicContact CG2-CG2 3.89Å; V91-F136 HydrophobicContact CB-CD2 4.32Å; V91-F140 HydrophobicContact CG2-CE2 4.16Å; V91-F140 HydrophobicContact CG2-CZ 4.41Å
92	E	96.3	Very high	91	Very high	68 Å²	68	56.5 Å²	56.5	32%	0.318	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155	-178.7	-64.5	-173.7	93.1	0	0	111.3	R90 L107 D108	R90-E92 WeakPolarHBondContact CD-OE2 3.45Å; R90-E92 HydrophobicContact CG-CG 4.02Å; R90-E92 IonicContact CZ-OE1 3.3Å; R90-E92 IonicContact CZ-OE2 3.63Å; R90-E92 IonicContact NE-OE1 3.2Å; R90-E92 IonicContact NE-OE2 3.35Å; R90-E92 PolarHBondContact NE-OE2 2.93Å; R90-E92 IonicContact NH1-OE1 3.55Å; R90-E92 PolarHBondContact NH1-OE1 3.48Å; R90-E92 IonicContact NH1-OE2 3.52Å; R90-E92 PolarHBondContact NH1-OE2 3.08Å; R90-E92 IonicContact NH2-OE1 2.69Å; R90-E92 PolarHBondContact NH2-OE1 2.92Å; R90-E92 IonicContact NH2-OE2 2.78Å; E92-L107 VanDerWaalsContact O-CA 3.26Å; E92-L107 WeakPolarHBondContact O-CA 3.45Å; E92-D108 PolarHBondContact N-O 3.16Å; E92-D108 PolarHBondContact O-N 2.84Å
93	K	95.3	Very high	90.6	Very high	96 Å²	96	55.1 Å²	55.1	42%	0.417	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.4	178.2	-71.7	176	-176.1	169.6	0	108.9	G106 L107 F132	K93-G106 CarbonylContact C-O 3.59Å; K93-L107 HydrophobicContact CG-CD2 4.39Å; K93-F132 HydrophobicContact CD-CD2 4.23Å; K93-F132 HydrophobicContact CD-CE2 4.41Å; K93-F132 HydrophobicContact CD-CG 4.34Å; K93-F132 VanDerWaalsContact CE-CD2 3.46Å; K93-F132 HydrophobicContact CG-CD2 3.68Å; K93-F132 HydrophobicContact CG-CE2 3.94Å; K93-F132 HydrophobicContact CG-CG 4.21Å
94	M	92.1	Very high	90.1	Very high	38 Å²	38	57 Å²	57	19%	0.187	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.8	172.4	-57.9	-170.3	-53.8	0	0	110.3	Y105 G106 L107 D108 R118 R128	M94-Y105 WeakPolarHBondContact O-CA 3.2Å; M94-G106 PolarHBondContact N-O 2.94Å; M94-G106 PolarHBondContact O-N 2.9Å; M94-L107 VanDerWaalsContact CE-O 3.32Å; M94-L107 WeakPolarHBondContact CE-O 3.23Å; M94-D108 HydrophobicContact CG-CB 3.82Å; M94-D108 HydrophobicContact SD-CB 3.92Å; M94-R118 HydrophobicContact CE-CB 4.16Å; M94-R118 HydrophobicContact CE-CG 4.34Å; M94-R118 HydrophobicContact SD-CB 4.34Å; M94-R118 HydrophobicContact SD-CG 3.86Å; M94-R128 PolarHBondContact O-NH1 3.23Å
95	G	86.9	Confident	89.8	Confident	37 Å²	37	56.9 Å²	56.9	38%	0.381	32%	0.322	S	S	.	.			trans	74	177.1	175.1	0	0	0	0	0	115.9	S99 S104 R128	G95-S99 WeakPolarHBondContact CA-OG 3.06Å; G95-S104 WeakPolarHBondContact CA-O 3.39Å; G95-S104 PolarHBondContact N-O 3.39Å; G95-R128 PolarHBondContact O-NH1 3.44Å
96	G	83.1	Confident	89.6	Confident	20 Å²	20	56.8 Å²	56.8	21%	0.206	32%	0.321	C	S	.	.			trans	-156.1	-165.3	-177	0	0	0	0	0	112.1	S98 S99	G96-S98 PolarHBondContact O-N 3.27Å; G96-S99 PolarHBondContact N-OG 2.93Å; G96-S99 WeakPolarHBondContact O-CB 3.26Å; G96-S99 PolarHBondContact O-N 2.93Å; G96-S99 VanDerWaalsContact O-N 3.11Å
97	A	77.6	Confident	89.5	Confident	99 Å²	99	56.3 Å²	56.3	82%	0.818	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.3	-178.7	0	0	0	0	0	113.5	Q123	A97-Q123 PolarHBondContact O-NE2 2.7Å
98	S	80.9	Confident	89.5	Confident	106 Å²	106	57 Å²	57	74%	0.741	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.4	178.7	50.6	0	0	0	0	114.7	G96 R100	G96-S98 PolarHBondContact O-N 3.27Å; S98-R100 PolarHBondContact O-N 3.5Å
99	S	82.4	Confident	89.4	Confident	28 Å²	28	57 Å²	57	20%	0.196	32%	0.32	C	S	.	.			trans	-74.4	106.9	-178.1	-69.2	0	0	0	0	111.1	G95 G96 S104 Q123	G95-S99 WeakPolarHBondContact CA-OG 3.06Å; G96-S99 PolarHBondContact N-OG 2.93Å; G96-S99 WeakPolarHBondContact O-CB 3.26Å; G96-S99 PolarHBondContact O-N 2.93Å; G96-S99 VanDerWaalsContact O-N 3.11Å; S99-S104 WeakPolarHBondContact CB-OG 3.42Å; S99-Q123 PolarHBondContact O-OE1 3.48Å
100	R	75.9	Confident	89.5	Confident	242 Å²	242	57.6 Å²	57.6	91%	0.913	32%	0.323	S	S	*	.			trans	-102.7	-4.2	-178.6	-62.8	-174.9	-178.5	-171.3	0	114.7	S98	S98-R100 PolarHBondContact O-N 3.5Å
101	G	79.1	Confident	89.5	Confident	48 Å²	48	53.5 Å²	53.5	50%	0.495	31%	0.308	S	S	.	.	S	Bend	trans	-77.8	148.8	-179.8	0	0	0	0	0	112.2	N103 S104	G101-N103 PolarHBondContact O-N 3.28Å; G101-S104 PolarHBondContact N-OG 3.36Å; G101-S104 VanDerWaalsContact O-CB 3.3Å; G101-S104 WeakPolarHBondContact O-CB 3.49Å; G101-S104 PolarHBondContact O-N 3.14Å; G101-S104 PolarHBondContact O-OG 3.29Å
102	E	83.6	Confident	89.5	Confident	173 Å²	173	54.3 Å²	54.3	81%	0.808	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	137.7	172.1	-156.5	-164.2	149.4	0	0	110.3	S104	E102-S104 PolarHBondContact O-N 3.27Å
103	N	86.3	Confident	89.5	Confident	38 Å²	38	51.1 Å²	51.1	20%	0.203	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	15.9	179.7	-56.2	-52.2	0	0	0	115.5	I48 M50 G101 Y105 A120	I48-N103 WeakPolarHBondContact CD1-OD1 3.41Å; M50-N103 HydrophobicContact CE-CB 3.81Å; M50-N103 HydrophobicContact SD-CB 3.61Å; G101-N103 PolarHBondContact O-N 3.28Å; N103-Y105 PolarHBondContact O-N 3.26Å; N103-A120 HydrophobicContact CB-CB 3.66Å; N103-A120 WeakPolarHBondContact O-CB 3.39Å
104	S	87.9	Confident	89.5	Confident	41 Å²	41	46.7 Å²	46.7	29%	0.287	28%	0.276	S	S	.	.			trans	-83.1	-5.3	-175.4	67.9	0	0	0	0	115.2	G95 S99 G101 E102	G95-S104 WeakPolarHBondContact CA-O 3.39Å; G95-S104 PolarHBondContact N-O 3.39Å; S99-S104 WeakPolarHBondContact CB-OG 3.42Å; G101-S104 PolarHBondContact N-OG 3.36Å; G101-S104 VanDerWaalsContact O-CB 3.3Å; G101-S104 WeakPolarHBondContact O-CB 3.49Å; G101-S104 PolarHBondContact O-N 3.14Å; G101-S104 PolarHBondContact O-OG 3.29Å; E102-S104 PolarHBondContact O-N 3.27Å
105	Y	91.8	Very high	89.7	Confident	20 Å²	20	45.4 Å²	45.4	8%	0.078	27%	0.269	C	S	.	.	S	Bend	trans	-110.6	122	177	-176.3	-91.4	0	0	0	110	M94 N103 A120 L121 Q123 R128	M94-Y105 WeakPolarHBondContact O-CA 3.2Å; N103-Y105 PolarHBondContact O-N 3.26Å; Y105-A120 WeakPolarHBondContact O-CA 3.39Å; Y105-L121 HydrophobicContact CD1-CB 4.22Å; Y105-L121 HydrophobicContact CE1-CB 4.49Å; Y105-L121 PolarHBondContact O-N 2.78Å; Y105-Q123 HydrophobicContact CD1-CB 4.25Å; Y105-Q123 HydrophobicContact CD2-CB 4.45Å; Y105-Q123 HydrophobicContact CD2-CG 4.14Å; Y105-Q123 HydrophobicContact CE2-CG 4.2Å; Y105-Q123 HydrophobicContact CG-CB 4.2Å; Y105-Q123 HydrophobicContact CG-CG 4.39Å; Y105-R128 HydrophobicContact CD1-CB 4.29Å; Y105-R128 HydrophobicContact CE1-CB 3.4Å; Y105-R128 HydrophobicContact CE1-CG 4.27Å; Y105-R128 VanDerWaalsContact CZ-NE 3.3Å; Y105-R128 PolarHBondContact OH-NE 3.37Å
106	G	94.4	Very high	90.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.2	-153.1	-170.6	0	0	0	0	0	116.4	K93 M94 F119 R128	K93-G106 CarbonylContact C-O 3.59Å; M94-G106 PolarHBondContact N-O 2.94Å; M94-G106 PolarHBondContact O-N 2.9Å; G106-F119 CarbonylContact C-O 3.59Å; G106-F119 WeakPolarHBondContact CA-O 3.37Å; G106-R128 WeakPolarHBondContact O-CD 3.32Å
107	L	96.6	Very high	90.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.9	177	-57.1	-178.3	0	0	0	111.8	E92 K93 M94 I109 R118 F119 L121 R128 I131 F132 I135	E92-L107 VanDerWaalsContact O-CA 3.26Å; E92-L107 WeakPolarHBondContact O-CA 3.45Å; K93-L107 HydrophobicContact CG-CD2 4.39Å; M94-L107 VanDerWaalsContact CE-O 3.32Å; M94-L107 WeakPolarHBondContact CE-O 3.23Å; L107-I109 HydrophobicContact CB-CG1 4.4Å; L107-R118 WeakPolarHBondContact O-CA 3.17Å; L107-F119 PolarHBondContact N-O 2.76Å; L107-F119 PolarHBondContact O-N 3.24Å; L107-L121 HydrophobicContact CG-CD1 4.1Å; L107-R128 HydrophobicContact CD2-CG 3.79Å; L107-R128 HydrophobicContact CG-CG 4.48Å; L107-I131 HydrophobicContact CD1-CG1 4.5Å; L107-I131 HydrophobicContact CD1-CG2 4.21Å; L107-F132 HydrophobicContact CD2-CB 4.01Å; L107-F132 HydrophobicContact CD2-CD2 3.93Å; L107-F132 HydrophobicContact CD2-CG 4.47Å; L107-I135 HydrophobicContact CD1-CD1 3.83Å
108	D	96.9	Very high	91.7	Very high	18 Å²	18	46 Å²	46	10%	0.096	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.2	163.2	-159.8	-38.7	0	0	0	107.5	E92 M94 N116 R118	E92-D108 PolarHBondContact N-O 3.16Å; E92-D108 PolarHBondContact O-N 2.84Å; M94-D108 HydrophobicContact CG-CB 3.82Å; M94-D108 HydrophobicContact SD-CB 3.92Å; D108-N116 PolarHBondContact OD1-ND2 3.17Å; D108-R118 HydrophobicContact CB-CG 4.4Å; D108-R118 IonicContact OD2-CZ 2.93Å; D108-R118 VanDerWaalsContact OD2-CZ 3.31Å; D108-R118 IonicContact OD2-NE 3.82Å; D108-R118 PolarHBondContact OD2-NE 3.43Å; D108-R118 IonicContact OD2-NH2 2.72Å; D108-R118 PolarHBondContact OD2-NH2 3.44Å
109	I	98.1	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	106.1	-175.5	-54.6	-177	0	0	0	108	L68 I88 R90 V91 L107 N116 L117 F119 I135	L68-I109 HydrophobicContact CD1-CD1 4.11Å; I88-I109 HydrophobicContact CB-CG2 4.28Å; I88-I109 HydrophobicContact CD1-CG2 3.91Å; I88-I109 HydrophobicContact CG1-CG2 3.77Å; I88-I109 HydrophobicContact CG2-CG2 3.67Å; R90-I109 WeakPolarHBondContact O-CA 3.44Å; V91-I109 HydrophobicContact CG1-CG1 4.35Å; V91-I109 HydrophobicContact CG2-CG2 4.49Å; L107-I109 HydrophobicContact CB-CG1 4.4Å; I109-N116 WeakPolarHBondContact O-CA 3.38Å; I109-L117 HydrophobicContact CB-CB 4.26Å; I109-L117 PolarHBondContact N-O 3.06Å; I109-L117 PolarHBondContact O-N 2.75Å; I109-F119 HydrophobicContact CD1-CD2 4.03Å; I109-F119 HydrophobicContact CD1-CE2 4.06Å; I109-I135 HydrophobicContact CD1-CD1 4.14Å; I109-I135 HydrophobicContact CD1-CG2 4.43Å
110	T	98	Very high	93	Very high	36 Å²	36	39.8 Å²	39.8	22%	0.221	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.1	175.6	-60.1	0	0	0	0	109.3	S89 R90 N116	S89-T110 WeakPolarHBondContact CA-O 3.34Å; S89-T110 WeakPolarHBondContact CB-O 3.43Å; S89-T110 PolarHBondContact N-O 3.31Å; R90-T110 PolarHBondContact N-O 3.06Å; R90-T110 VanDerWaalsContact N-O 3.14Å; R90-T110 PolarHBondContact O-N 2.92Å; T110-N116 PolarHBondContact OG1-ND2 2.86Å
111	C	98.3	Very high	93.8	Very high	4 Å²	4	29 Å²	29	3%	0.027	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	154.2	-179.7	-59.8	0	0	0	0	111.7	V87 D113 R115 K322	V87-C111 HydrophobicContact CG1-CB 4.06Å; V87-C111 WeakPolarHBondContact O-CA 3.24Å; C111-D113 VanDerWaalsContact C-N 3.33Å; C111-D113 WeakPolarHBondContact CB-OD1 3.37Å; C111-R115 HydrophobicContact CB-CG 4.1Å; C111-R115 WeakPolarHBondContact CB-O 3.48Å; C111-R115 PolarHBondContact N-O 3.41Å; C111-K322 PolarHBondContact O-NZ 3.34Å
112	K	97.9	Very high	94.1	Very high	28 Å²	28	33.5 Å²	33.5	12%	0.122	16%	0.158	C	C	.	.	S	Bend	trans	-75.5	-22.4	178.5	-61.9	170.8	-170	177.3	0	112.6	G86 V87 I88 M114 I418 G419 Y467	G86-K112 WeakPolarHBondContact O-CE 3.36Å; G86-K112 PolarHBondContact O-NZ 2.84Å; V87-K112 WeakPolarHBondContact O-CB 3.41Å; V87-K112 VanDerWaalsContact O-CG 3.28Å; V87-K112 WeakPolarHBondContact O-CG 3.42Å; V87-K112 PolarHBondContact O-N 3.41Å; I88-K112 WeakPolarHBondContact O-CE 3.11Å; K112-M114 VanDerWaalsContact C-N 3.31Å; K112-M114 PolarHBondContact O-N 3.24Å; K112-I418 HydrophobicContact CD-CG2 4.46Å; K112-I418 WeakPolarHBondContact CE-O 3.35Å; K112-I418 PolarHBondContact NZ-O 2.95Å; K112-G419 PolarHBondContact NZ-O 3.37Å; K112-Y467 HydrophobicContact CB-CD1 3.74Å; K112-Y467 HydrophobicContact CB-CE1 3.72Å; K112-Y467 HydrophobicContact CB-CG 4.19Å; K112-Y467 HydrophobicContact CD-CD1 3.59Å; K112-Y467 HydrophobicContact CD-CE1 4.06Å; K112-Y467 HydrophobicContact CD-CG 4.41Å; K112-Y467 HydrophobicContact CG-CD1 4.28Å; K112-Y467 HydrophobicContact CG-CE1 4.42Å
113	D	96.8	Very high	93.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.011	14%	0.139	C	C	.	.	S	Bend	trans	-89.2	32.5	-174.4	66.2	-14	0	0	0	113.8	V87 C111 R115 W537	V87-D113 HydrophobicContact CG1-CB 3.67Å; V87-D113 WeakPolarHBondContact CG1-OD1 3.23Å; V87-D113 WeakPolarHBondContact CG1-OD2 3.2Å; C111-D113 VanDerWaalsContact C-N 3.33Å; C111-D113 WeakPolarHBondContact CB-OD1 3.37Å; D113-R115 PolarHBondContact O-N 3.24Å; D113-R115 WeakPolarHBondContact OD1-CG 3.45Å; D113-R115 IonicContact OD1-NE 2.7Å; D113-R115 PolarHBondContact OD1-NE 3.14Å; D113-R115 IonicContact OD2-CZ 2.76Å; D113-R115 IonicContact OD2-NE 3.46Å; D113-R115 PolarHBondContact OD2-NE 2.67Å; D113-R115 IonicContact OD2-NH2 3.94Å; D113-R115 PolarHBondContact OD2-NH2 2.78Å; D113-W537 HydrophobicContact CB-CZ2 4.16Å; D113-W537 PolarHBondContact O-NE1 3.03Å; D113-W537 WeakPolarHBondContact OD2-CZ2 3.36Å
114	M	95.9	Very high	93.5	Very high	3 Å²	3	35 Å²	35	2%	0.015	16%	0.164	C	C	.	.	S	Bend	trans	72.4	12.7	178	-50.2	-61.5	-70.1	0	0	117.5	K112 L318 L321 K322 V325 Y326 Y534	K112-M114 VanDerWaalsContact C-N 3.31Å; K112-M114 PolarHBondContact O-N 3.24Å; M114-L318 HydrophobicContact CE-CD1 3.92Å; M114-L318 HydrophobicContact SD-CD1 3.68Å; M114-L318 HydrophobicContact SD-CG 4.2Å; M114-L321 HydrophobicContact CE-CD2 4.39Å; M114-L321 HydrophobicContact CE-CG 4.24Å; M114-K322 VanDerWaalsContact CE-CA 3.45Å; M114-K322 HydrophobicContact CE-CB 3.63Å; M114-K322 HydrophobicContact CE-CG 4.2Å; M114-K322 HydrophobicContact SD-CB 4.25Å; M114-V325 HydrophobicContact CE-CG2 3.9Å; M114-Y326 WeakPolarHBondContact O-CB 3.15Å; M114-Y534 HydrophobicContact CE-CD1 3.77Å; M114-Y534 HydrophobicContact CG-CD1 3.92Å; M114-Y534 HydrophobicContact SD-CD1 4.01Å
115	R	95.1	Very high	92.7	Very high	10 Å²	10	36.9 Å²	36.9	4%	0.038	19%	0.19	C	C	.	.			trans	-123.1	165.4	173.8	50.2	170.5	172.4	176.5	-2.6	114.5	C111 D113 K322 Y326 W537	C111-R115 HydrophobicContact CB-CG 4.1Å; C111-R115 WeakPolarHBondContact CB-O 3.48Å; C111-R115 PolarHBondContact N-O 3.41Å; D113-R115 PolarHBondContact O-N 3.24Å; D113-R115 WeakPolarHBondContact OD1-CG 3.45Å; D113-R115 IonicContact OD1-NE 2.7Å; D113-R115 PolarHBondContact OD1-NE 3.14Å; D113-R115 IonicContact OD2-CZ 2.76Å; D113-R115 IonicContact OD2-NE 3.46Å; D113-R115 PolarHBondContact OD2-NE 2.67Å; D113-R115 IonicContact OD2-NH2 3.94Å; D113-R115 PolarHBondContact OD2-NH2 2.78Å; R115-K322 PolarHBondContact O-NZ 2.62Å; R115-Y326 HydrophobicContact CB-CD2 4.11Å; R115-Y326 HydrophobicContact CB-CE1 4.15Å; R115-Y326 HydrophobicContact CB-CE2 3.63Å; R115-W537 HydrophobicContact CB-CG 4Å; R115-W537 HydrophobicContact CG-CD2 4.15Å; R115-W537 HydrophobicContact CG-CG 4.15Å; R115-W537 VanDerWaalsContact CZ-CZ3 3.42Å; R115-W537 VanDerWaalsContact NH2-CH2 3.31Å
116	N	96.3	Very high	91.8	Very high	37 Å²	37	42.7 Å²	42.7	20%	0.198	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.2	163.5	-89.6	56.6	0	0	0	108.9	D108 I109 T110 K322 Y326	D108-N116 PolarHBondContact OD1-ND2 3.17Å; I109-N116 WeakPolarHBondContact O-CA 3.38Å; T110-N116 PolarHBondContact OG1-ND2 2.86Å; N116-K322 WeakPolarHBondContact OD1-CE 3.41Å; N116-K322 PolarHBondContact OD1-NZ 2.88Å; N116-Y326 HydrophobicContact CB-CE1 4.02Å; N116-Y326 WeakPolarHBondContact O-CE1 3.3Å; N116-Y326 PolarHBondContact O-OH 2.99Å
117	L	96.8	Very high	91.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.4	178.2	-54.8	170.9	0	0	0	109.1	Y49 L81 V83 I109 F119	Y49-L117 HydrophobicContact CE2-CB 4.44Å; Y49-L117 HydrophobicContact CE2-CD2 4.03Å; L81-L117 HydrophobicContact CD1-CD2 4.42Å; V83-L117 HydrophobicContact CB-CD1 4.39Å; V83-L117 HydrophobicContact CG1-CD1 3.95Å; V83-L117 HydrophobicContact CG2-CD1 3.71Å; I109-L117 HydrophobicContact CB-CB 4.26Å; I109-L117 PolarHBondContact N-O 3.06Å; I109-L117 PolarHBondContact O-N 2.75Å; L117-F119 HydrophobicContact CB-CD2 4.41Å; L117-F119 HydrophobicContact CB-CE2 3.75Å; L117-F119 HydrophobicContact CB-CZ 4.41Å; L117-F119 HydrophobicContact CD1-CE2 4.35Å
118	R	96.5	Very high	91	Very high	132 Å²	132	45.6 Å²	45.6	50%	0.498	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.2	176.3	-76	-177.8	176.9	159.6	4.1	110.3	Y49 M50 M94 L107 D108	Y49-R118 WeakPolarHBondContact CD2-O 3.48Å; M50-R118 HydrophobicContact CB-CB 3.85Å; M50-R118 HydrophobicContact CG-CB 4.46Å; M50-R118 PolarHBondContact N-O 3.41Å; M94-R118 HydrophobicContact CE-CB 4.16Å; M94-R118 HydrophobicContact CE-CG 4.34Å; M94-R118 HydrophobicContact SD-CB 4.34Å; M94-R118 HydrophobicContact SD-CG 3.86Å; L107-R118 WeakPolarHBondContact O-CA 3.17Å; D108-R118 HydrophobicContact CB-CG 4.4Å; D108-R118 IonicContact OD2-CZ 2.93Å; D108-R118 VanDerWaalsContact OD2-CZ 3.31Å; D108-R118 IonicContact OD2-NE 3.82Å; D108-R118 PolarHBondContact OD2-NE 3.43Å; D108-R118 IonicContact OD2-NH2 2.72Å; D108-R118 PolarHBondContact OD2-NH2 3.44Å
119	F	96.3	Very high	90.7	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.4	179.7	-67.4	-79.5	0	0	0	110.2	I47 I48 Y49 L68 F70 L81 G106 L107 I109 L117	I47-F119 HydrophobicContact CD1-CB 3.6Å; I47-F119 HydrophobicContact CD1-CD1 4.16Å; I47-F119 HydrophobicContact CD1-CG 4.09Å; I47-F119 HydrophobicContact CG1-CB 3.94Å; I47-F119 HydrophobicContact CG1-CD1 4.25Å; I47-F119 HydrophobicContact CG1-CG 4.49Å; I47-F119 HydrophobicContact CG2-CD1 4.12Å; I48-F119 CarbonylContact O-C 3.53Å; I48-F119 VanDerWaalsContact O-CA 3.26Å; I48-F119 WeakPolarHBondContact O-CA 3.14Å; Y49-F119 AromaticContact CD2-CD1 4Å; Y49-F119 HydrophobicContact CD2-CD1 4Å; Y49-F119 AromaticContact CD2-CE1 3.61Å; Y49-F119 HydrophobicContact CD2-CE1 3.61Å; Y49-F119 AromaticContact CD2-CZ 3.95Å; Y49-F119 HydrophobicContact CD2-CZ 3.95Å; Y49-F119 HydrophobicContact CG-CE1 4.1Å; L68-F119 HydrophobicContact CD1-CE2 4.06Å; L68-F119 HydrophobicContact CD1-CZ 4.35Å; L68-F119 HydrophobicContact CD2-CE2 4.3Å; L68-F119 HydrophobicContact CD2-CZ 3.82Å; F70-F119 HydrophobicContact CB-CE1 4.29Å; F70-F119 HydrophobicContact CD2-CE1 4.12Å; F70-F119 HydrophobicContact CG-CE1 4.27Å; L81-F119 HydrophobicContact CD1-CE1 4.44Å; L81-F119 HydrophobicContact CD1-CZ 4.17Å; G106-F119 CarbonylContact C-O 3.59Å; G106-F119 WeakPolarHBondContact CA-O 3.37Å; L107-F119 PolarHBondContact N-O 2.76Å; L107-F119 PolarHBondContact O-N 3.24Å; I109-F119 HydrophobicContact CD1-CD2 4.03Å; I109-F119 HydrophobicContact CD1-CE2 4.06Å; L117-F119 HydrophobicContact CB-CD2 4.41Å; L117-F119 HydrophobicContact CB-CE2 3.75Å; L117-F119 HydrophobicContact CB-CZ 4.41Å; L117-F119 HydrophobicContact CD1-CE2 4.35Å
120	A	94.8	Very high	90.3	Very high	1 Å²	1	54 Å²	54	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	143.9	173.9	0	0	0	0	0	111.5	I47 I48 M50 N103 Y105	I47-A120 VanDerWaalsContact CG1-O 3.32Å; I47-A120 WeakPolarHBondContact CG1-O 3.3Å; I48-A120 HydrophobicContact CB-CB 4.15Å; I48-A120 PolarHBondContact N-O 2.62Å; I48-A120 PolarHBondContact O-N 3.39Å; M50-A120 HydrophobicContact CG-CB 4.26Å; M50-A120 HydrophobicContact SD-CB 4.36Å; N103-A120 HydrophobicContact CB-CB 3.66Å; N103-A120 WeakPolarHBondContact O-CB 3.39Å; Y105-A120 WeakPolarHBondContact O-CA 3.39Å
121	L	92.1	Very high	90.1	Very high	15 Å²	15	52.7 Å²	52.7	8%	0.079	27%	0.267	C	S	.	.			trans	-130.2	153.9	-174.8	-78	125.8	0	0	0	109.9	Q45 I47 Y105 L107 Q123 R128 I131	Q45-L121 HydrophobicContact CG-CD2 4.44Å; I47-L121 HydrophobicContact CD1-CD1 3.9Å; I47-L121 HydrophobicContact CD1-CD2 4Å; I47-L121 HydrophobicContact CD1-CG 3.84Å; I47-L121 HydrophobicContact CG1-CD1 4.46Å; I47-L121 HydrophobicContact CG1-CD2 4.29Å; I47-L121 HydrophobicContact CG1-CG 3.97Å; Y105-L121 HydrophobicContact CD1-CB 4.22Å; Y105-L121 HydrophobicContact CE1-CB 4.49Å; Y105-L121 PolarHBondContact O-N 2.78Å; L107-L121 HydrophobicContact CG-CD1 4.1Å; L121-Q123 PolarHBondContact O-N 2.98Å; L121-R128 HydrophobicContact CB-CB 4.42Å; L121-R128 HydrophobicContact CD1-CB 4.04Å; L121-R128 HydrophobicContact CD1-CG 4.18Å; L121-I131 HydrophobicContact CD1-CG2 4.07Å; L121-I131 HydrophobicContact CD2-CG2 3.89Å
122	K	85.2	Confident	90	Very high	143 Å²	143	54.1 Å²	54.1	62%	0.622	27%	0.272	S	S	*	.			trans	-65.8	131.8	170.1	-66.1	180	-178.9	172.7	0	109.5	E124 S127	K122-E124 VanDerWaalsContact C-N 3.27Å; K122-E124 PolarHBondContact O-N 2.85Å; K122-S127 PolarHBondContact O-OG 2.72Å
123	Q	80.4	Confident	89.8	Confident	86 Å²	86	56.4 Å²	56.4	40%	0.402	28%	0.283	S	S	.	.	S	Bend	trans	-68.3	-30.1	178.1	-174.2	173.6	-10.9	0	0	112.1	A97 S99 Y105 L121	A97-Q123 PolarHBondContact O-NE2 2.7Å; S99-Q123 PolarHBondContact O-OE1 3.48Å; Y105-Q123 HydrophobicContact CD1-CB 4.25Å; Y105-Q123 HydrophobicContact CD2-CB 4.45Å; Y105-Q123 HydrophobicContact CD2-CG 4.14Å; Y105-Q123 HydrophobicContact CE2-CG 4.2Å; Y105-Q123 HydrophobicContact CG-CB 4.2Å; Y105-Q123 HydrophobicContact CG-CG 4.39Å; L121-Q123 PolarHBondContact O-N 2.98Å
124	E	76.7	Confident	89.7	Confident	158 Å²	158	58.7 Å²	58.7	74%	0.738	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58	146.3	171.6	-65	169.7	-175	0	0	112	K122 H126	K122-E124 VanDerWaalsContact C-N 3.27Å; K122-E124 PolarHBondContact O-N 2.85Å; E124-H126 PolarHBondContact O-N 3.09Å; E124-H126 VanDerWaalsContact O-N 3.09Å
125	G	72.1	Confident	89.8	Confident	80 Å²	80	58.6 Å²	58.6	83%	0.825	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	65.8	9.4	175.8	0	0	0	0	0	116.1	S127	G125-S127 PolarHBondContact O-N 3.31Å; G125-S127 VanDerWaalsContact O-N 3.1Å
126	H	73.5	Confident	89.9	Confident	142 Å²	142	60.5 Å²	60.5	66%	0.657	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	55.6	23.9	-179	-59.8	-55.3	0	0	0	115.3	E124 R128 R129	E124-H126 PolarHBondContact O-N 3.09Å; E124-H126 VanDerWaalsContact O-N 3.09Å; H126-R128 PolarHBondContact O-N 3.49Å; H126-R129 WeakPolarHBondContact O-CB 3.37Å; H126-R129 PolarHBondContact O-N 2.88Å
127	S	81.5	Confident	89.9	Confident	27 Å²	27	64 Å²	64	19%	0.189	31%	0.313	C	S	.	.	H	α-helix	trans	-45.6	-41	-172.1	64.6	0	0	0	0	114.9	K122 G125 R129	K122-S127 PolarHBondContact O-OG 2.72Å; G125-S127 PolarHBondContact O-N 3.31Å; G125-S127 VanDerWaalsContact O-N 3.1Å; S127-R129 PolarHBondContact O-N 3.33Å
128	R	91.1	Very high	90	Very high	33 Å²	33	66.3 Å²	66.3	13%	0.125	32%	0.322	C	S	.	.	H	α-helix	trans	-54.7	-32.7	176.9	-179.8	-176.4	66.8	167.7	5.9	114	M94 G95 Y105 G106 L107 L121 H126 I131 F132	M94-R128 PolarHBondContact O-NH1 3.23Å; G95-R128 PolarHBondContact O-NH1 3.44Å; Y105-R128 HydrophobicContact CD1-CB 4.29Å; Y105-R128 HydrophobicContact CE1-CB 3.4Å; Y105-R128 HydrophobicContact CE1-CG 4.27Å; Y105-R128 VanDerWaalsContact CZ-NE 3.3Å; Y105-R128 PolarHBondContact OH-NE 3.37Å; G106-R128 WeakPolarHBondContact O-CD 3.32Å; L107-R128 HydrophobicContact CD2-CG 3.79Å; L107-R128 HydrophobicContact CG-CG 4.48Å; L121-R128 HydrophobicContact CB-CB 4.42Å; L121-R128 HydrophobicContact CD1-CB 4.04Å; L121-R128 HydrophobicContact CD1-CG 4.18Å; H126-R128 PolarHBondContact O-N 3.49Å; R128-I131 WeakPolarHBondContact O-CG2 3.44Å; R128-F132 WeakPolarHBondContact O-CB 3.41Å; R128-F132 PolarHBondContact O-N 2.92Å
129	R	90.8	Very high	90.1	Very high	156 Å²	156	60.1 Å²	60.1	59%	0.589	30%	0.299	S	S	*	.	H	α-helix	trans	-65.6	-50.9	-174.1	-178	177.4	176.7	179.1	-3.5	111.4	H126 S127 F132 E133	H126-R129 WeakPolarHBondContact O-CB 3.37Å; H126-R129 PolarHBondContact O-N 2.88Å; S127-R129 PolarHBondContact O-N 3.33Å; R129-F132 PolarHBondContact O-N 2.73Å; R129-E133 WeakPolarHBondContact CG-OE1 3.39Å; R129-E133 IonicContact CZ-OE1 3.53Å; R129-E133 IonicContact NE-OE1 2.75Å; R129-E133 PolarHBondContact NE-OE1 3.14Å; R129-E133 IonicContact NE-OE2 3.62Å; R129-E133 IonicContact NH2-OE1 2.87Å; R129-E133 PolarHBondContact NH2-OE1 3.39Å; R129-E133 WeakPolarHBondContact O-CG 3.37Å; R129-E133 PolarHBondContact O-N 2.99Å
130	G	90.8	Very high	90.2	Very high	39 Å²	39	60.2 Å²	60.2	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-50	-178.1	0	0	0	0	0	112	F132 E133 M134	G130-F132 PolarHBondContact O-N 2.91Å; G130-E133 PolarHBondContact O-N 2.96Å; G130-M134 WeakPolarHBondContact O-CG 3.46Å; G130-M134 PolarHBondContact O-N 2.87Å
131	I	92.6	Very high	90.3	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.046	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-37	178.6	-171.7	171.9	0	0	0	112.7	Q45 I47 V61 L107 L121 R128 M134 I135	Q45-I131 HydrophobicContact CB-CD1 4.41Å; I47-I131 HydrophobicContact CD1-CD1 3.7Å; V61-I131 HydrophobicContact CG1-CD1 3.61Å; L107-I131 HydrophobicContact CD1-CG1 4.5Å; L107-I131 HydrophobicContact CD1-CG2 4.21Å; L121-I131 HydrophobicContact CD1-CG2 4.07Å; L121-I131 HydrophobicContact CD2-CG2 3.89Å; R128-I131 WeakPolarHBondContact O-CG2 3.44Å; I131-M134 PolarHBondContact O-N 2.87Å; I131-I135 HydrophobicContact CD1-CD1 4.2Å; I131-I135 HydrophobicContact CG1-CD1 3.73Å; I131-I135 HydrophobicContact CG1-CG1 4.18Å; I131-I135 WeakPolarHBondContact O-CG1 3.25Å; I131-I135 PolarHBondContact O-N 2.89Å
132	F	95.9	Very high	90.6	Very high	34 Å²	34	64.6 Å²	64.6	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-50.1	171.7	174.3	-89.7	0	0	0	111.2	V91 K93 L107 R128 R129 G130 M134 I135 F136	V91-F132 HydrophobicContact CB-CE2 4.26Å; V91-F132 HydrophobicContact CG1-CD2 3.72Å; V91-F132 HydrophobicContact CG1-CE2 3.81Å; K93-F132 HydrophobicContact CD-CD2 4.23Å; K93-F132 HydrophobicContact CD-CE2 4.41Å; K93-F132 HydrophobicContact CD-CG 4.34Å; K93-F132 VanDerWaalsContact CE-CD2 3.46Å; K93-F132 HydrophobicContact CG-CD2 3.68Å; K93-F132 HydrophobicContact CG-CE2 3.94Å; K93-F132 HydrophobicContact CG-CG 4.21Å; L107-F132 HydrophobicContact CD2-CB 4.01Å; L107-F132 HydrophobicContact CD2-CD2 3.93Å; L107-F132 HydrophobicContact CD2-CG 4.47Å; R128-F132 WeakPolarHBondContact O-CB 3.41Å; R128-F132 PolarHBondContact O-N 2.92Å; R129-F132 PolarHBondContact O-N 2.73Å; G130-F132 PolarHBondContact O-N 2.91Å; F132-M134 VanDerWaalsContact C-N 3.31Å; F132-M134 PolarHBondContact O-N 2.92Å; F132-I135 PolarHBondContact O-N 3.09Å; F132-F136 HydrophobicContact CE1-CB 4.28Å; F132-F136 HydrophobicContact CE1-CD2 4.43Å; F132-F136 HydrophobicContact CE1-CG 4.3Å; F132-F136 HydrophobicContact CE2-CD2 4.44Å; F132-F136 HydrophobicContact CZ-CB 4.46Å; F132-F136 AromaticContact CZ-CD2 3.93Å; F132-F136 HydrophobicContact CZ-CD2 3.93Å; F132-F136 HydrophobicContact CZ-CE2 4.47Å; F132-F136 HydrophobicContact CZ-CG 4.26Å; F132-F136 WeakPolarHBondContact O-CB 3.48Å; F132-F136 PolarHBondContact O-N 3.09Å
133	E	95	Very high	91.2	Very high	75 Å²	75	59.2 Å²	59.2	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-37.1	-177.5	-72.7	171.3	-176	0	0	111.3	R129 G130 R137	R129-E133 WeakPolarHBondContact CG-OE1 3.39Å; R129-E133 IonicContact CZ-OE1 3.53Å; R129-E133 IonicContact NE-OE1 2.75Å; R129-E133 PolarHBondContact NE-OE1 3.14Å; R129-E133 IonicContact NE-OE2 3.62Å; R129-E133 IonicContact NH2-OE1 2.87Å; R129-E133 PolarHBondContact NH2-OE1 3.39Å; R129-E133 WeakPolarHBondContact O-CG 3.37Å; R129-E133 PolarHBondContact O-N 2.99Å; G130-E133 PolarHBondContact O-N 2.96Å; E133-R137 WeakPolarHBondContact O-CB 3.46Å; E133-R137 PolarHBondContact O-N 2.91Å
134	M	95.1	Very high	92	Very high	50 Å²	50	58.1 Å²	58.1	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-52.4	174.9	-66.2	-54.5	102.9	0	0	112.5	I42 T43 G130 I131 F132 F136 R137 Y138	I42-M134 HydrophobicContact CG2-CG 4.41Å; I42-M134 HydrophobicContact CG2-SD 3.92Å; T43-M134 HydrophobicContact CG2-CB 4.15Å; T43-M134 HydrophobicContact CG2-CG 3.97Å; G130-M134 WeakPolarHBondContact O-CG 3.46Å; G130-M134 PolarHBondContact O-N 2.87Å; I131-M134 PolarHBondContact O-N 2.87Å; F132-M134 VanDerWaalsContact C-N 3.31Å; F132-M134 PolarHBondContact O-N 2.92Å; M134-F136 VanDerWaalsContact C-N 3.31Å; M134-F136 PolarHBondContact O-N 3.04Å; M134-R137 PolarHBondContact O-N 2.84Å; M134-Y138 WeakPolarHBondContact O-CD2 3.32Å; M134-Y138 PolarHBondContact O-N 3.38Å; M134-Y138 HydrophobicContact SD-CE2 4.3Å
135	I	96.7	Very high	92.9	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-45.2	178.9	-64.3	170.8	0	0	0	110.1	I63 L68 I88 V91 L107 I109 I131 F132 R137 Y138 A139	I63-I135 HydrophobicContact CD1-CD1 3.99Å; I63-I135 HydrophobicContact CD1-CG1 3.64Å; I63-I135 HydrophobicContact CG1-CG1 4.02Å; L68-I135 HydrophobicContact CD1-CD1 3.85Å; L68-I135 HydrophobicContact CD1-CG1 4.49Å; I88-I135 HydrophobicContact CD1-CG2 3.88Å; V91-I135 HydrophobicContact CG2-CG2 3.89Å; L107-I135 HydrophobicContact CD1-CD1 3.83Å; I109-I135 HydrophobicContact CD1-CD1 4.14Å; I109-I135 HydrophobicContact CD1-CG2 4.43Å; I131-I135 HydrophobicContact CD1-CD1 4.2Å; I131-I135 HydrophobicContact CG1-CD1 3.73Å; I131-I135 HydrophobicContact CG1-CG1 4.18Å; I131-I135 WeakPolarHBondContact O-CG1 3.25Å; I131-I135 PolarHBondContact O-N 2.89Å; F132-I135 PolarHBondContact O-N 3.09Å; I135-R137 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 3.02Å; I135-Y138 PolarHBondContact O-N 3.15Å; I135-A139 WeakPolarHBondContact O-CB 3.33Å; I135-A139 PolarHBondContact O-N 3.18Å
136	F	97.3	Very high	94.2	Very high	51 Å²	51	54.3 Å²	54.3	22%	0.224	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-37.3	-179.6	-165.4	-94.2	0	0	0	112.4	V91 F132 M134 F140 H144 K423	V91-F136 HydrophobicContact CB-CD2 4.32Å; F132-F136 HydrophobicContact CE1-CB 4.28Å; F132-F136 HydrophobicContact CE1-CD2 4.43Å; F132-F136 HydrophobicContact CE1-CG 4.3Å; F132-F136 HydrophobicContact CE2-CD2 4.44Å; F132-F136 HydrophobicContact CZ-CB 4.46Å; F132-F136 AromaticContact CZ-CD2 3.93Å; F132-F136 HydrophobicContact CZ-CD2 3.93Å; F132-F136 HydrophobicContact CZ-CE2 4.47Å; F132-F136 HydrophobicContact CZ-CG 4.26Å; F132-F136 WeakPolarHBondContact O-CB 3.48Å; F132-F136 PolarHBondContact O-N 3.09Å; M134-F136 VanDerWaalsContact C-N 3.31Å; M134-F136 PolarHBondContact O-N 3.04Å; F136-F140 HydrophobicContact CD1-CD2 4.36Å; F136-F140 AromaticContact CD2-CD2 3.76Å; F136-F140 HydrophobicContact CD2-CD2 3.76Å; F136-F140 AromaticContact CD2-CE2 3.59Å; F136-F140 HydrophobicContact CD2-CE2 3.59Å; F136-F140 HydrophobicContact CE1-CD2 4.43Å; F136-F140 AromaticContact CE2-CD2 3.83Å; F136-F140 HydrophobicContact CE2-CD2 3.83Å; F136-F140 AromaticContact CE2-CE2 3.69Å; F136-F140 HydrophobicContact CE2-CE2 3.69Å; F136-F140 HydrophobicContact CG-CD2 4.03Å; F136-F140 HydrophobicContact CG-CE2 4.27Å; F136-F140 HydrophobicContact CZ-CD2 4.17Å; F136-F140 HydrophobicContact CZ-CE2 4.45Å; F136-F140 VanDerWaalsContact O-CD2 3.25Å; F136-F140 WeakPolarHBondContact O-CD2 3.4Å; F136-F140 PolarHBondContact O-N 3.29Å; F136-H144 AromaticContact CD1-CE1 3.42Å; F136-H144 VanDerWaalsContact CD1-CE1 3.42Å; F136-H144 WeakPolarHBondContact CD1-CE1 3.26Å; F136-H144 AromaticContact CD1-NE2 3.51Å; F136-H144 AromaticContact CE1-CE1 3.58Å; F136-H144 AromaticContact CE1-NE2 3.63Å; F136-H144 PolarHBondContact O-CE1 3.09Å; F136-K423 HydrophobicContact CE1-CD 4.02Å; F136-K423 HydrophobicContact CZ-CB 3.94Å; F136-K423 HydrophobicContact CZ-CD 3.91Å; F136-K423 HydrophobicContact CZ-CG 4.45Å
137	R	97.5	Very high	95.3	Very high	110 Å²	110	51.2 Å²	51.2	42%	0.415	27%	0.266	S	S	.	.	H	α-helix	trans	-66.6	-48.5	176.5	-177.4	174.8	-176.3	178.5	-1.8	112.5	E133 M134 I135 F140 H144 L146	E133-R137 WeakPolarHBondContact O-CB 3.46Å; E133-R137 PolarHBondContact O-N 2.91Å; M134-R137 PolarHBondContact O-N 2.84Å; I135-R137 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 3.02Å; R137-F140 CarbonylContact O-C 3.57Å; R137-H144 HydrophobicContact CG-CB 4.32Å; R137-L146 HydrophobicContact CG-CD1 3.77Å
138	Y	97.8	Very high	96.1	Very high	50 Å²	50	50.4 Å²	50.4	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-88.4	-17.8	-173.5	-69.2	-78.7	0	0	0	114.5	I42 N65 M134 I135 P141 L146	I42-Y138 HydrophobicContact CB-CE2 4.28Å; I42-Y138 HydrophobicContact CD1-CE1 4.02Å; I42-Y138 HydrophobicContact CD1-CE2 4.12Å; I42-Y138 HydrophobicContact CG1-CD2 4.22Å; I42-Y138 HydrophobicContact CG1-CE1 4.26Å; I42-Y138 HydrophobicContact CG1-CE2 3.86Å; I42-Y138 HydrophobicContact CG2-CD2 4.1Å; I42-Y138 HydrophobicContact CG2-CE2 3.48Å; I42-Y138 VanDerWaalsContact CG2-CE2 3.48Å; N65-Y138 HydrophobicContact CB-CD1 4.22Å; N65-Y138 HydrophobicContact CB-CE1 4.33Å; M134-Y138 WeakPolarHBondContact O-CD2 3.32Å; M134-Y138 PolarHBondContact O-N 3.38Å; M134-Y138 HydrophobicContact SD-CE2 4.3Å; I135-Y138 PolarHBondContact O-N 3.15Å; Y138-P141 WeakPolarHBondContact O-CD 3.5Å; Y138-L146 HydrophobicContact CD1-CD1 4.08Å; Y138-L146 HydrophobicContact CE1-CD1 3.95Å
139	A	98.1	Very high	96.5	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-78.5	-27.2	168.5	0	0	0	0	0	113.6	L85 I88 I135 P141	L85-A139 HydrophobicContact CB-CB 4.17Å; I88-A139 HydrophobicContact CB-CB 4.04Å; I88-A139 HydrophobicContact CD1-CB 4.09Å; I88-A139 HydrophobicContact CG2-CB 4.2Å; I135-A139 WeakPolarHBondContact O-CB 3.33Å; I135-A139 PolarHBondContact O-N 3.18Å; A139-P141 VanDerWaalsContact O-CD 3.31Å; A139-P141 WeakPolarHBondContact O-CD 3.38Å
140	F	98.4	Very high	96.8	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	23%	0.228	C	C	.	.	S	Bend	trans	-120.2	57.3	179.1	-48.2	-57.8	0	0	0	111.6	I88 V91 F136 R137 L142 S143 H144 G421 D422 K423	I88-F140 HydrophobicContact CG2-CZ 4.02Å; V91-F140 HydrophobicContact CG2-CE2 4.16Å; V91-F140 HydrophobicContact CG2-CZ 4.41Å; F136-F140 HydrophobicContact CD1-CD2 4.36Å; F136-F140 AromaticContact CD2-CD2 3.76Å; F136-F140 HydrophobicContact CD2-CD2 3.76Å; F136-F140 AromaticContact CD2-CE2 3.59Å; F136-F140 HydrophobicContact CD2-CE2 3.59Å; F136-F140 HydrophobicContact CE1-CD2 4.43Å; F136-F140 AromaticContact CE2-CD2 3.83Å; F136-F140 HydrophobicContact CE2-CD2 3.83Å; F136-F140 AromaticContact CE2-CE2 3.69Å; F136-F140 HydrophobicContact CE2-CE2 3.69Å; F136-F140 HydrophobicContact CG-CD2 4.03Å; F136-F140 HydrophobicContact CG-CE2 4.27Å; F136-F140 HydrophobicContact CZ-CD2 4.17Å; F136-F140 HydrophobicContact CZ-CE2 4.45Å; F136-F140 VanDerWaalsContact O-CD2 3.25Å; F136-F140 WeakPolarHBondContact O-CD2 3.4Å; F136-F140 PolarHBondContact O-N 3.29Å; R137-F140 CarbonylContact O-C 3.57Å; F140-L142 PolarHBondContact O-N 3.48Å; F140-S143 WeakPolarHBondContact O-CB 3.26Å; F140-S143 PolarHBondContact O-N 3.06Å; F140-S143 VanDerWaalsContact O-N 3.13Å; F140-H144 PolarHBondContact O-N 2.93Å; F140-H144 PolarHBondContact O-ND1 3Å; F140-G421 CarbonylContact C-O 3.55Å; F140-G421 WeakPolarHBondContact CA-O 3.43Å; F140-D422 WeakPolarHBondContact CD1-O 3.49Å; F140-K423 HydrophobicContact CB-CB 3.92Å; F140-K423 HydrophobicContact CD1-CB 4.2Å; F140-K423 HydrophobicContact CD2-CB 3.78Å; F140-K423 HydrophobicContact CE2-CB 4.38Å; F140-K423 HydrophobicContact CG-CB 3.68Å
141	P	98.1	Very high	97.2	Very high	12 Å²	12	43 Å²	43	8%	0.078	22%	0.22	C	C	.	.	S	Bend	trans	-59.6	-40.9	-171.8	23.3	-35.7	0	0	0	113	Y138 A139 S143 H144 S145 L146 P147 L148	Y138-P141 WeakPolarHBondContact O-CD 3.5Å; A139-P141 VanDerWaalsContact O-CD 3.31Å; A139-P141 WeakPolarHBondContact O-CD 3.38Å; P141-S143 VanDerWaalsContact C-N 3.3Å; P141-S143 PolarHBondContact O-N 3.01Å; P141-H144 CarbonylContact O-C 3.59Å; P141-H144 VanDerWaalsContact O-C 3.3Å; P141-H144 WeakPolarHBondContact O-CA 3.4Å; P141-H144 PolarHBondContact O-N 2.72Å; P141-S145 PolarHBondContact O-N 3.05Å; P141-L146 CarbonylContact C-O 3.51Å; P141-L146 HydrophobicContact CB-CB 3.62Å; P141-L146 PolarHBondContact O-N 2.87Å; P141-P147 WeakPolarHBondContact CB-O 3.38Å; P141-L148 HydrophobicContact CG-CD2 3.78Å
142	L	97.5	Very high	97.5	Very high	96 Å²	96	44.5 Å²	44.5	50%	0.503	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-64.2	-36.3	178.8	-59.7	-173.1	0	0	0	111.7	F140 H144 S145 L148 H420 G421	F140-L142 PolarHBondContact O-N 3.48Å; L142-H144 PolarHBondContact O-N 3.01Å; L142-S145 PolarHBondContact O-N 2.82Å; L142-L148 HydrophobicContact CD1-CD1 4.19Å; L142-L148 HydrophobicContact CD1-CG 4.47Å; L142-L148 HydrophobicContact CD2-CD1 4.35Å; L142-L148 HydrophobicContact CD2-CG 4.03Å; L142-L148 HydrophobicContact CG-CD1 4.41Å; L142-L148 HydrophobicContact CG-CD2 4.3Å; L142-L148 HydrophobicContact CG-CG 4.16Å; L142-H420 WeakPolarHBondContact CD1-O 3.22Å; L142-G421 WeakPolarHBondContact CB-O 3.48Å; L142-G421 PolarHBondContact N-O 3.34Å; L142-G421 VanDerWaalsContact N-O 3.11Å
143	S	97.4	Very high	97.6	Very high	30 Å²	30	43.5 Å²	43.5	21%	0.21	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-69.3	-5.6	172.8	-59.4	0	0	0	0	114.9	F140 P141 G421 D422 K423	F140-S143 WeakPolarHBondContact O-CB 3.26Å; F140-S143 PolarHBondContact O-N 3.06Å; F140-S143 VanDerWaalsContact O-N 3.13Å; P141-S143 VanDerWaalsContact C-N 3.3Å; P141-S143 PolarHBondContact O-N 3.01Å; S143-G421 PolarHBondContact N-O 2.85Å; S143-D422 WeakPolarHBondContact OG-CA 3.42Å; S143-D422 PolarHBondContact OG-OD1 3.43Å; S143-K423 WeakPolarHBondContact OG-CG 3.34Å; S143-K423 PolarHBondContact OG-N 3.44Å
144	H	97.8	Very high	97.7	Very high	62 Å²	62	46.4 Å²	46.4	29%	0.287	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-128.2	18.1	179.9	-60	96	0	0	0	112.6	F136 R137 F140 P141 L142 L146	F136-H144 AromaticContact CD1-CE1 3.42Å; F136-H144 VanDerWaalsContact CD1-CE1 3.42Å; F136-H144 WeakPolarHBondContact CD1-CE1 3.26Å; F136-H144 AromaticContact CD1-NE2 3.51Å; F136-H144 AromaticContact CE1-CE1 3.58Å; F136-H144 AromaticContact CE1-NE2 3.63Å; F136-H144 PolarHBondContact O-CE1 3.09Å; R137-H144 HydrophobicContact CG-CB 4.32Å; F140-H144 PolarHBondContact O-N 2.93Å; F140-H144 PolarHBondContact O-ND1 3Å; P141-H144 CarbonylContact O-C 3.59Å; P141-H144 VanDerWaalsContact O-C 3.3Å; P141-H144 WeakPolarHBondContact O-CA 3.4Å; P141-H144 PolarHBondContact O-N 2.72Å; L142-H144 PolarHBondContact O-N 3.01Å; H144-L146 PolarHBondContact O-N 3.35Å
145	S	97	Very high	97.8	Very high	120 Å²	120	45.2 Å²	45.2	84%	0.839	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.4	-179.3	-52.7	0	0	0	0	114.6	P141 L142	P141-S145 PolarHBondContact O-N 3.05Å; L142-S145 PolarHBondContact O-N 2.82Å
146	L	97.6	Very high	97.7	Very high	38 Å²	38	54.7 Å²	54.7	20%	0.199	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-103.2	151.9	172.3	-64.6	179.6	0	0	0	110.7	R137 Y138 P141 H144	R137-L146 HydrophobicContact CG-CD1 3.77Å; Y138-L146 HydrophobicContact CD1-CD1 4.08Å; Y138-L146 HydrophobicContact CE1-CD1 3.95Å; P141-L146 CarbonylContact C-O 3.51Å; P141-L146 HydrophobicContact CB-CB 3.62Å; P141-L146 PolarHBondContact O-N 2.87Å; H144-L146 PolarHBondContact O-N 3.35Å
147	P	97.5	Very high	97.7	Very high	77 Å²	77	54.7 Å²	54.7	50%	0.5	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-66.9	151.8	171.7	29.6	-35.3	0	0	0	111.5	P141 V152	P141-P147 WeakPolarHBondContact CB-O 3.38Å; P147-V152 HydrophobicContact CB-CG2 4.22Å; P147-V152 HydrophobicContact CG-CG2 3.81Å
148	L	98.4	Very high	97.6	Very high	10 Å²	10	56 Å²	56	5%	0.052	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-69.6	147.4	164	-69.7	164.9	0	0	0	109.7	P141 L142 A150 Y151 C469 L475	P141-L148 HydrophobicContact CG-CD2 3.78Å; L142-L148 HydrophobicContact CD1-CD1 4.19Å; L142-L148 HydrophobicContact CD1-CG 4.47Å; L142-L148 HydrophobicContact CD2-CD1 4.35Å; L142-L148 HydrophobicContact CD2-CG 4.03Å; L142-L148 HydrophobicContact CG-CD1 4.41Å; L142-L148 HydrophobicContact CG-CD2 4.3Å; L142-L148 HydrophobicContact CG-CG 4.16Å; L148-A150 PolarHBondContact O-N 2.95Å; L148-Y151 PolarHBondContact O-N 2.91Å; L148-C469 HydrophobicContact CD2-CB 4.1Å; L148-L475 HydrophobicContact CD1-CD1 3.89Å; L148-L475 HydrophobicContact CD1-CD2 3.86Å; L148-L475 HydrophobicContact CD1-CG 4.48Å
149	F	98.6	Very high	97.4	Very high	11 Å²	11	56 Å²	56	5%	0.048	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-55.7	-29.7	-176.6	-174.2	-107.3	0	0	0	113.7	L36 G38 E39 Y66 Y151 V152 N153 C469 R470	L36-F149 HydrophobicContact CB-CZ 4.29Å; L36-F149 HydrophobicContact CD1-CE1 4.07Å; L36-F149 HydrophobicContact CD1-CZ 4.47Å; G38-F149 WeakPolarHBondContact O-CE2 3.36Å; E39-F149 HydrophobicContact CB-CE2 4.07Å; E39-F149 HydrophobicContact CB-CZ 4Å; Y66-F149 HydrophobicContact CD1-CE1 4.44Å; Y66-F149 HydrophobicContact CD2-CB 3.98Å; Y66-F149 AromaticContact CD2-CD1 3.22Å; Y66-F149 HydrophobicContact CD2-CD1 3.22Å; Y66-F149 HydrophobicContact CD2-CD2 4.42Å; Y66-F149 AromaticContact CD2-CE1 3.8Å; Y66-F149 HydrophobicContact CD2-CE1 3.8Å; Y66-F149 AromaticContact CD2-CG 3.61Å; Y66-F149 HydrophobicContact CD2-CG 3.61Å; Y66-F149 AromaticContact CE2-CD1 3.89Å; Y66-F149 HydrophobicContact CE2-CD1 3.89Å; Y66-F149 HydrophobicContact CE2-CE1 4.41Å; Y66-F149 AromaticContact CG-CD1 3.67Å; Y66-F149 HydrophobicContact CG-CD1 3.67Å; Y66-F149 HydrophobicContact CG-CD2 4.39Å; Y66-F149 AromaticContact CG-CE1 3.82Å; Y66-F149 HydrophobicContact CG-CE1 3.82Å; Y66-F149 HydrophobicContact CG-CE2 4.5Å; Y66-F149 AromaticContact CG-CG 3.99Å; Y66-F149 HydrophobicContact CG-CG 3.99Å; Y66-F149 HydrophobicContact CG-CZ 4.24Å; F149-Y151 PolarHBondContact O-N 2.79Å; F149-Y151 VanDerWaalsContact O-N 3.08Å; F149-V152 HydrophobicContact CD2-CB 4.18Å; F149-V152 HydrophobicContact CE2-CB 4.47Å; F149-V152 CarbonylContact O-C 3.32Å; F149-V152 WeakPolarHBondContact O-CA 3.27Å; F149-V152 PolarHBondContact O-N 3.13Å; F149-N153 HydrophobicContact CD1-CB 4.28Å; F149-N153 HydrophobicContact CE1-CB 3.95Å; F149-N153 HydrophobicContact CZ-CB 4.35Å; F149-N153 WeakPolarHBondContact O-CB 3.2Å; F149-N153 PolarHBondContact O-N 3.33Å; F149-C469 CarbonylContact C-O 3.6Å; F149-R470 HydrophobicContact CD1-CG 4.47Å; F149-R470 HydrophobicContact CE1-CG 4.41Å
150	A	98.7	Very high	97.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-54.3	-26.8	174.1	0	0	0	0	0	114.9	L148 C469 L475 T491	L148-A150 PolarHBondContact O-N 2.95Å; A150-C469 WeakPolarHBondContact CA-O 3.4Å; A150-C469 WeakPolarHBondContact CB-O 3.27Å; A150-C469 PolarHBondContact N-O 3.05Å; A150-L475 HydrophobicContact CB-CD1 3.86Å; A150-T491 HydrophobicContact CB-CG2 4.15Å; A150-T491 WeakPolarHBondContact O-CA 3.47Å; A150-T491 WeakPolarHBondContact O-CB 3.36Å; A150-T491 WeakPolarHBondContact O-CG2 3.48Å
151	Y	98.4	Very high	97.4	Very high	63 Å²	63	59.5 Å²	59.5	25%	0.247	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-90.1	-9.9	175.4	-77.2	-81.5	0	0	0	113.8	L148 F149 L475 Y476 L487 K490 T491	L148-Y151 PolarHBondContact O-N 2.91Å; F149-Y151 PolarHBondContact O-N 2.79Å; F149-Y151 VanDerWaalsContact O-N 3.08Å; Y151-L475 HydrophobicContact CE2-CD1 4.28Å; Y151-Y476 HydrophobicContact CE2-CE2 4.35Å; Y151-Y476 WeakPolarHBondContact OH-CE2 3.33Å; Y151-Y476 PolarHBondContact OH-OH 3.3Å; Y151-L487 HydrophobicContact CE2-CD1 4.44Å; Y151-K490 HydrophobicContact CD1-CB 3.81Å; Y151-K490 HydrophobicContact CE1-CB 3.63Å; Y151-K490 HydrophobicContact CE1-CD 4.24Å; Y151-T491 HydrophobicContact CD1-CG2 3.59Å; Y151-T491 HydrophobicContact CD2-CG2 3.89Å; Y151-T491 HydrophobicContact CE1-CG2 3.6Å; Y151-T491 HydrophobicContact CE2-CG2 3.87Å; Y151-T491 HydrophobicContact CG-CG2 3.75Å
152	V	97.9	Very high	97.4	Very high	39 Å²	39	60 Å²	60	24%	0.236	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-23.3	177.2	-167.5	0	0	0	0	110.7	G38 P147 F149 Q154	G38-V152 WeakPolarHBondContact O-CG1 3.49Å; P147-V152 HydrophobicContact CB-CG2 4.22Å; P147-V152 HydrophobicContact CG-CG2 3.81Å; F149-V152 HydrophobicContact CD2-CB 4.18Å; F149-V152 HydrophobicContact CE2-CB 4.47Å; F149-V152 CarbonylContact O-C 3.32Å; F149-V152 WeakPolarHBondContact O-CA 3.27Å; F149-V152 PolarHBondContact O-N 3.13Å; V152-Q154 WeakPolarHBondContact O-CG 3.24Å; V152-Q154 PolarHBondContact O-N 3.1Å
153	N	97.9	Very high	97.4	Very high	13 Å²	13	60.6 Å²	60.6	7%	0.07	32%	0.317	C	S	.	.			trans	-60.2	121.6	179.8	-173	-8.3	0	0	0	111.8	F149 E155 R470	F149-N153 HydrophobicContact CD1-CB 4.28Å; F149-N153 HydrophobicContact CE1-CB 3.95Å; F149-N153 HydrophobicContact CZ-CB 4.35Å; F149-N153 WeakPolarHBondContact O-CB 3.2Å; F149-N153 PolarHBondContact O-N 3.33Å; N153-E155 PolarHBondContact ND2-OE2 3.48Å; N153-E155 WeakPolarHBondContact OD1-CB 3.46Å; N153-E155 WeakPolarHBondContact OD1-CG 3.41Å; N153-E155 PolarHBondContact OD1-N 3.38Å; N153-E155 PolarHBondContact OD1-OE2 2.83Å; N153-R470 PolarHBondContact ND2-O 2.89Å
154	Q	97.3	Very high	97.4	Very high	137 Å²	137	60.4 Å²	60.4	64%	0.64	32%	0.315	S	S	*	.			trans	-108.9	14.1	-179.4	-59.1	177.9	17.7	0	0	112.9	P37 V152	P37-Q154 HydrophobicContact CB-CB 3.92Å; P37-Q154 PolarHBondContact O-N 2.75Å; V152-Q154 WeakPolarHBondContact O-CG 3.24Å; V152-Q154 PolarHBondContact O-N 3.1Å
155	E	96.9	Very high	97.4	Very high	25 Å²	25	58.4 Å²	58.4	12%	0.117	31%	0.305	C	S	.	.			trans	-59.1	140.3	178.2	-73.4	178.7	82.9	0	0	112.1	P37 N153 Y157 R470	P37-E155 HydrophobicContact CB-CG 4.3Å; P37-E155 HydrophobicContact CG-CG 3.98Å; N153-E155 PolarHBondContact ND2-OE2 3.48Å; N153-E155 WeakPolarHBondContact OD1-CB 3.46Å; N153-E155 WeakPolarHBondContact OD1-CG 3.41Å; N153-E155 PolarHBondContact OD1-N 3.38Å; N153-E155 PolarHBondContact OD1-OE2 2.83Å; E155-Y157 HydrophobicContact CB-CD2 4.41Å; E155-Y157 HydrophobicContact CB-CE2 3.61Å; E155-Y157 PolarHBondContact OE1-OH 3.28Å; E155-R470 VanDerWaalsContact CD-NH2 3.26Å; E155-R470 IonicContact OE1-CZ 3.37Å; E155-R470 IonicContact OE1-NE 3.31Å; E155-R470 IonicContact OE1-NH2 3.14Å; E155-R470 PolarHBondContact OE1-NH2 3.34Å; E155-R470 IonicContact OE2-CZ 2.71Å; E155-R470 IonicContact OE2-NE 2.97Å; E155-R470 PolarHBondContact OE2-NE 3.06Å; E155-R470 IonicContact OE2-NH2 3.61Å; E155-R470 PolarHBondContact OE2-NH2 2.66Å; E155-R470 VanDerWaalsContact OE2-NH2 3.14Å
156	K	96.1	Very high	97.5	Very high	200 Å²	200	57.2 Å²	57.2	87%	0.87	29%	0.285	S	S	*	.			trans	-117.8	139.6	178.9	-62.6	-176.6	-176.9	178.5	0	109.9
157	Y	96.9	Very high	97.5	Very high	50 Å²	50	56.2 Å²	56.2	20%	0.196	28%	0.282	C	S	.	.			trans	-130.5	154.4	-176.4	-67.5	-83.8	0	0	0	109.3	E155 E159 F471 V492 S496 L497 S500	E155-Y157 HydrophobicContact CB-CD2 4.41Å; E155-Y157 HydrophobicContact CB-CE2 3.61Å; E155-Y157 PolarHBondContact OE1-OH 3.28Å; Y157-E159 VanDerWaalsContact C-N 3.3Å; Y157-F471 HydrophobicContact CE2-CE1 4.22Å; Y157-V492 HydrophobicContact CD2-CG1 3.69Å; Y157-V492 HydrophobicContact CE2-CG1 3.77Å; Y157-S496 WeakPolarHBondContact CD1-O 3.45Å; Y157-L497 VanDerWaalsContact CE1-CA 3.44Å; Y157-L497 HydrophobicContact CE1-CB 3.77Å; Y157-L497 HydrophobicContact CE1-CD1 3.71Å; Y157-L497 HydrophobicContact CE1-CG 4.36Å; Y157-S500 WeakPolarHBondContact CD1-OG 3.33Å
158	T	94.3	Very high	97.6	Very high	137 Å²	137	55.7 Å²	55.7	84%	0.84	27%	0.274	S	S	*	.	S	Bend	trans	-67.8	-30.6	178.6	45.5	0	0	0	0	112.7
159	E	94.9	Very high	97.6	Very high	50 Å²	50	60 Å²	60	23%	0.234	29%	0.293	C	S	.	.	S	Bend	trans	-113	140.6	177.7	-173.9	177.2	135.7	0	0	111.5	Y157 G161 R397 S496 N499	Y157-E159 VanDerWaalsContact C-N 3.3Å; E159-G161 PolarHBondContact O-N 3.26Å; E159-R397 IonicContact OE1-CZ 3.51Å; E159-R397 IonicContact OE1-NH1 2.82Å; E159-R397 PolarHBondContact OE1-NH1 2.87Å; E159-R397 IonicContact OE1-NH2 3.2Å; E159-R397 IonicContact OE2-CZ 3.41Å; E159-R397 IonicContact OE2-NH1 2.73Å; E159-R397 PolarHBondContact OE2-NH1 3.25Å; E159-R397 IonicContact OE2-NH2 3.57Å; E159-R397 PolarHBondContact OE2-NH2 3.05Å; E159-S496 WeakPolarHBondContact O-CB 3.42Å; E159-S496 PolarHBondContact O-OG 3.22Å; E159-N499 PolarHBondContact OE1-ND2 2.84Å
160	N	97.2	Very high	97.6	Very high	80 Å²	80	60 Å²	60	43%	0.428	29%	0.294	S	S	.	.			trans	-88	96.6	167.3	-175.9	1.2	0	0	0	110.5	W162 L163	N160-W162 PolarHBondContact O-N 2.77Å; N160-W162 WeakPolarHBondContact OD1-CB 3.44Å; N160-W162 PolarHBondContact OD1-N 2.85Å; N160-W162 VanDerWaalsContact OD1-N 3.09Å; N160-L163 HydrophobicContact CB-CD1 4.16Å; N160-L163 HydrophobicContact CB-CG 4.26Å; N160-L163 WeakPolarHBondContact O-CB 3.34Å; N160-L163 PolarHBondContact O-N 3.37Å
161	G	98	Very high	97.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-60.9	-11.3	178.3	0	0	0	0	0	115.7	E159 L163 V164 S496	E159-G161 PolarHBondContact O-N 3.26Å; G161-L163 PolarHBondContact O-N 3.23Å; G161-V164 WeakPolarHBondContact O-CG1 3.33Å; G161-V164 PolarHBondContact O-N 2.92Å; G161-S496 PolarHBondContact N-OG 2.95Å
162	W	98.3	Very high	97.6	Very high	21 Å²	21	64.5 Å²	64.5	8%	0.08	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-69.5	-14.1	169.7	-66.4	122.4	0	0	0	113.5	N160 L487 R488 T491	N160-W162 PolarHBondContact O-N 2.77Å; N160-W162 WeakPolarHBondContact OD1-CB 3.44Å; N160-W162 PolarHBondContact OD1-N 2.85Å; N160-W162 VanDerWaalsContact OD1-N 3.09Å; W162-L487 HydrophobicContact CH2-CD2 3.89Å; W162-L487 HydrophobicContact CH2-CG 4.1Å; W162-L487 HydrophobicContact CZ2-CG 4.25Å; W162-R488 HydrophobicContact CB-CB 4.46Å; W162-R488 HydrophobicContact CD2-CB 4.07Å; W162-R488 HydrophobicContact CD2-CG 3.88Å; W162-R488 HydrophobicContact CE3-CG 3.81Å; W162-R488 HydrophobicContact CG-CB 4.06Å; W162-R488 HydrophobicContact CG-CG 4.26Å; W162-R488 HydrophobicContact CZ3-CG 4.23Å; W162-R488 PolarHBondContact NE1-O 3.33Å; W162-T491 WeakPolarHBondContact CZ2-OG1 3.25Å; W162-T491 PolarHBondContact NE1-O 2.76Å
163	L	97.8	Very high	97.6	Very high	109 Å²	109	66 Å²	66	57%	0.571	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-90.9	-2.6	179.8	-57.2	179.7	0	0	0	113.7	N160 G161 Y165	N160-L163 HydrophobicContact CB-CD1 4.16Å; N160-L163 HydrophobicContact CB-CG 4.26Å; N160-L163 WeakPolarHBondContact O-CB 3.34Å; N160-L163 PolarHBondContact O-N 3.37Å; G161-L163 PolarHBondContact O-N 3.23Å; L163-Y165 VanDerWaalsContact C-N 3.27Å; L163-Y165 PolarHBondContact O-N 2.8Å
164	V	97.8	Very high	97.6	Very high	26 Å²	26	65.7 Å²	65.7	16%	0.158	31%	0.31	C	S	.	.	S	Bend	trans	-63.2	-32.9	-176	73.9	0	0	0	0	112.8	G161 Q400 V401 E404 W495	G161-V164 WeakPolarHBondContact O-CG1 3.33Å; G161-V164 PolarHBondContact O-N 2.92Å; V164-Q400 HydrophobicContact CG1-CB 4.27Å; V164-Q400 HydrophobicContact CG2-CB 3.93Å; V164-V401 HydrophobicContact CG2-CG2 4.29Å; V164-V401 VanDerWaalsContact O-CG2 3.29Å; V164-V401 WeakPolarHBondContact O-CG2 3.28Å; V164-E404 HydrophobicContact CG1-CG 4.01Å; V164-W495 HydrophobicContact CG1-CG 4.16Å
165	Y	98.4	Very high	97.6	Very high	20 Å²	20	60.5 Å²	60.5	8%	0.078	29%	0.293	C	S	.	.			trans	-119	128.8	179.5	170.9	-121.2	0	0	0	111.5	L163 A167 E170 V401 E404 K405	L163-Y165 VanDerWaalsContact C-N 3.27Å; L163-Y165 PolarHBondContact O-N 2.8Å; Y165-A167 HydrophobicContact CE2-CB 4.45Å; Y165-E170 HydrophobicContact CD2-CB 4.44Å; Y165-E170 HydrophobicContact CE2-CB 4.07Å; Y165-E170 HydrophobicContact CE2-CG 4.42Å; Y165-V401 HydrophobicContact CD2-CG1 4.04Å; Y165-E404 VanDerWaalsContact CB-CB 3.44Å; Y165-E404 HydrophobicContact CD1-CB 3.71Å; Y165-E404 HydrophobicContact CG-CB 3.74Å; Y165-K405 HydrophobicContact CD2-CB 4.33Å; Y165-K405 HydrophobicContact CE1-CB 4.33Å; Y165-K405 HydrophobicContact CE2-CB 3.78Å; Y165-K405 HydrophobicContact CE2-CD 4.08Å; Y165-K405 HydrophobicContact CE2-CG 4.11Å
166	K	98.1	Very high	97.7	Very high	95 Å²	95	59.7 Å²	59.7	41%	0.413	29%	0.289	S	S	.	.			trans	-136.5	118.6	166.8	-58.3	157.5	-173	163	0	108.1	M168 E169 E170	K166-M168 VanDerWaalsContact C-N 3.26Å; K166-M168 PolarHBondContact O-N 3.39Å; K166-M168 VanDerWaalsContact O-N 3.12Å; K166-E169 HydrophobicContact CB-CB 4.33Å; K166-E169 HydrophobicContact CB-CG 4.42Å; K166-E169 HydrophobicContact CD-CG 4.22Å; K166-E169 WeakPolarHBondContact CD-OE1 3.39Å; K166-E169 WeakPolarHBondContact CD-OE2 3.36Å; K166-E169 IonicContact NZ-OE1 3.7Å; K166-E169 PolarHBondContact NZ-OE1 2.99Å; K166-E169 IonicContact NZ-OE2 3.43Å; K166-E169 PolarHBondContact NZ-OE2 3.47Å; K166-E169 PolarHBondContact O-N 3.47Å; K166-E170 PolarHBondContact O-N 2.95Å; K166-E170 VanDerWaalsContact O-N 3.14Å
167	A	98.1	Very high	97.7	Very high	17 Å²	17	54 Å²	54	14%	0.14	27%	0.273	C	S	.	.	H	α-helix	trans	-51.1	-42.3	-173.8	0	0	0	0	0	113.7	Y165 E169 E170 F171 V199	Y165-A167 HydrophobicContact CE2-CB 4.45Å; A167-E169 PolarHBondContact O-N 3.03Å; A167-E170 PolarHBondContact O-N 2.98Å; A167-F171 HydrophobicContact CB-CD2 4.45Å; A167-F171 HydrophobicContact CB-CE2 4.33Å; A167-F171 WeakPolarHBondContact O-CB 3.37Å; A167-F171 WeakPolarHBondContact O-CD2 3.42Å; A167-F171 WeakPolarHBondContact O-CG 3.26Å; A167-F171 PolarHBondContact O-N 2.83Å; A167-V199 HydrophobicContact CB-CB 3.92Å; A167-V199 HydrophobicContact CB-CG1 4.25Å; A167-V199 HydrophobicContact CB-CG2 4.25Å
168	M	98.4	Very high	97.7	Very high	67 Å²	67	53.4 Å²	53.4	33%	0.33	27%	0.273	S	S	.	.	H	α-helix	trans	-68.3	-29.6	179.2	-70.5	-58.2	-57.2	0	0	114.5	K166 R172 I183 F185 V199	K166-M168 VanDerWaalsContact C-N 3.26Å; K166-M168 PolarHBondContact O-N 3.39Å; K166-M168 VanDerWaalsContact O-N 3.12Å; M168-R172 VanDerWaalsContact O-CB 3.32Å; M168-R172 WeakPolarHBondContact O-CB 3.47Å; M168-R172 PolarHBondContact O-N 2.75Å; M168-I183 HydrophobicContact CE-CG1 4.49Å; M168-I183 HydrophobicContact SD-CG2 3.81Å; M168-F185 HydrophobicContact SD-CE1 4.22Å; M168-F185 HydrophobicContact SD-CZ 3.92Å; M168-V199 HydrophobicContact SD-CG1 3.86Å
169	E	98.4	Very high	97.8	Very high	100 Å²	100	53 Å²	53	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-77.3	-40	176.3	-72.9	175.4	-157.9	0	0	110.4	K166 A167 R172 R173	K166-E169 HydrophobicContact CB-CB 4.33Å; K166-E169 HydrophobicContact CB-CG 4.42Å; K166-E169 HydrophobicContact CD-CG 4.22Å; K166-E169 WeakPolarHBondContact CD-OE1 3.39Å; K166-E169 WeakPolarHBondContact CD-OE2 3.36Å; K166-E169 IonicContact NZ-OE1 3.7Å; K166-E169 PolarHBondContact NZ-OE1 2.99Å; K166-E169 IonicContact NZ-OE2 3.43Å; K166-E169 PolarHBondContact NZ-OE2 3.47Å; K166-E169 PolarHBondContact O-N 3.47Å; A167-E169 PolarHBondContact O-N 3.03Å; E169-R172 PolarHBondContact O-N 3.38Å; E169-R173 PolarHBondContact O-N 3.39Å
170	E	98.7	Very high	98	Very high	11 Å²	11	53 Å²	53	5%	0.051	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-46	175.9	175.4	46.7	-148.2	0	0	112.4	Y165 K166 A167 R172 R173 Q174 Y393 V401 K405	Y165-E170 HydrophobicContact CD2-CB 4.44Å; Y165-E170 HydrophobicContact CE2-CB 4.07Å; Y165-E170 HydrophobicContact CE2-CG 4.42Å; K166-E170 PolarHBondContact O-N 2.95Å; K166-E170 VanDerWaalsContact O-N 3.14Å; A167-E170 PolarHBondContact O-N 2.98Å; E170-R172 VanDerWaalsContact C-N 3.27Å; E170-R172 PolarHBondContact O-N 3.35Å; E170-R173 WeakPolarHBondContact O-CB 3.44Å; E170-R173 PolarHBondContact O-N 2.85Å; E170-R173 VanDerWaalsContact O-N 3.14Å; E170-R173 IonicContact OE1-CZ 3.77Å; E170-R173 IonicContact OE1-NE 3.61Å; E170-R173 PolarHBondContact OE1-NE 3.32Å; E170-R173 IonicContact OE1-NH2 2.7Å; E170-R173 PolarHBondContact OE1-NH2 3.37Å; E170-R173 IonicContact OE2-CZ 3.87Å; E170-R173 IonicContact OE2-NE 3.62Å; E170-R173 PolarHBondContact OE2-NE 2.93Å; E170-R173 IonicContact OE2-NH2 2.76Å; E170-Q174 PolarHBondContact O-N 3.29Å; E170-Q174 WeakPolarHBondContact OE1-CG 3.25Å; E170-Q174 PolarHBondContact OE1-NE2 2.71Å; E170-Y393 PolarHBondContact OE1-OH 2.74Å; E170-V401 HydrophobicContact CG-CG1 4.21Å; E170-K405 HydrophobicContact CG-CD 3.73Å
171	F	98.6	Very high	98	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-37.7	173.1	-73.9	-50.1	0	0	0	111.8	A167 Q174 G175 L176 I183 V199 A201 L226	A167-F171 HydrophobicContact CB-CD2 4.45Å; A167-F171 HydrophobicContact CB-CE2 4.33Å; A167-F171 WeakPolarHBondContact O-CB 3.37Å; A167-F171 WeakPolarHBondContact O-CD2 3.42Å; A167-F171 WeakPolarHBondContact O-CG 3.26Å; A167-F171 PolarHBondContact O-N 2.83Å; F171-Q174 PolarHBondContact O-N 3.21Å; F171-G175 PolarHBondContact O-N 2.83Å; F171-L176 HydrophobicContact CB-CB 4.18Å; F171-L176 HydrophobicContact CD1-CD1 3.94Å; F171-L176 WeakPolarHBondContact O-CB 3.35Å; F171-L176 PolarHBondContact O-N 2.77Å; F171-I183 HydrophobicContact CB-CD1 3.97Å; F171-I183 HydrophobicContact CD1-CD1 4.37Å; F171-I183 HydrophobicContact CD2-CD1 3.8Å; F171-I183 HydrophobicContact CE2-CD1 4.38Å; F171-I183 HydrophobicContact CG-CD1 3.8Å; F171-V199 HydrophobicContact CD2-CG1 4.25Å; F171-V199 HydrophobicContact CE2-CG1 4.05Å; F171-A201 HydrophobicContact CD1-CB 4.09Å; F171-A201 HydrophobicContact CE1-CB 3.6Å; F171-A201 HydrophobicContact CE2-CB 4.41Å; F171-A201 HydrophobicContact CZ-CB 3.79Å; F171-L226 HydrophobicContact CD1-CD2 4.44Å; F171-L226 HydrophobicContact CE1-CD2 4.12Å
172	R	98.4	Very high	98.1	Very high	154 Å²	154	51.4 Å²	51.4	58%	0.581	25%	0.253	S	S	*	.	H	α-helix	trans	-65	-39.8	174.7	-171.2	-176.2	-62.3	108.4	-1	112.3	M168 E169 E170 Q174 G175 L176	M168-R172 VanDerWaalsContact O-CB 3.32Å; M168-R172 WeakPolarHBondContact O-CB 3.47Å; M168-R172 PolarHBondContact O-N 2.75Å; E169-R172 PolarHBondContact O-N 3.38Å; E170-R172 VanDerWaalsContact C-N 3.27Å; E170-R172 PolarHBondContact O-N 3.35Å; R172-Q174 VanDerWaalsContact C-N 3.28Å; R172-Q174 PolarHBondContact O-N 3.26Å; R172-G175 PolarHBondContact O-N 2.87Å; R172-L176 WeakPolarHBondContact CA-O 3.32Å
173	R	98	Very high	98.1	Very high	70 Å²	70	51.6 Å²	51.6	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-57.2	-43.3	173	-171.6	-164.8	67	84.7	-0	110.9	E169 E170 G175 R231 D390 H392	E169-R173 PolarHBondContact O-N 3.39Å; E170-R173 WeakPolarHBondContact O-CB 3.44Å; E170-R173 PolarHBondContact O-N 2.85Å; E170-R173 VanDerWaalsContact O-N 3.14Å; E170-R173 IonicContact OE1-CZ 3.77Å; E170-R173 IonicContact OE1-NE 3.61Å; E170-R173 PolarHBondContact OE1-NE 3.32Å; E170-R173 IonicContact OE1-NH2 2.7Å; E170-R173 PolarHBondContact OE1-NH2 3.37Å; E170-R173 IonicContact OE2-CZ 3.87Å; E170-R173 IonicContact OE2-NE 3.62Å; E170-R173 PolarHBondContact OE2-NE 2.93Å; E170-R173 IonicContact OE2-NH2 2.76Å; R173-G175 PolarHBondContact O-N 3.16Å; R173-R231 PolarHBondContact O-NH1 3.42Å; R173-D390 IonicContact CZ-OD2 2.91Å; R173-D390 VanDerWaalsContact CZ-OD2 3.26Å; R173-D390 IonicContact NH1-OD1 2.73Å; R173-D390 PolarHBondContact NH1-OD1 2.79Å; R173-D390 IonicContact NH1-OD2 3.34Å; R173-D390 PolarHBondContact NH1-OD2 3.13Å; R173-D390 IonicContact NH2-OD2 3.55Å; R173-D390 PolarHBondContact NH2-OD2 3.14Å; R173-H392 VanDerWaalsContact CZ-CD2 3.41Å; R173-H392 PolarHBondContact NE-CD2 2.86Å; R173-H392 VanDerWaalsContact NE-CD2 3.29Å; R173-H392 VanDerWaalsContact NH1-CB 3.28Å
174	Q	98.1	Very high	98.1	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.028	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.8	174.8	-62.1	-174.1	20.1	0	0	114.3	E170 F171 R172 L176 S227 I229 R231 Y393	E170-Q174 PolarHBondContact O-N 3.29Å; E170-Q174 WeakPolarHBondContact OE1-CG 3.25Å; E170-Q174 PolarHBondContact OE1-NE2 2.71Å; F171-Q174 PolarHBondContact O-N 3.21Å; R172-Q174 VanDerWaalsContact C-N 3.28Å; R172-Q174 PolarHBondContact O-N 3.26Å; Q174-L176 HydrophobicContact CB-CD1 4.43Å; Q174-S227 PolarHBondContact NE2-O 3.16Å; Q174-I229 HydrophobicContact CB-CG2 3.85Å; Q174-I229 WeakPolarHBondContact O-CG2 3.1Å; Q174-R231 WeakPolarHBondContact O-CD 3.42Å; Q174-Y393 PolarHBondContact NE2-OH 2.75Å; Q174-Y393 VanDerWaalsContact NE2-OH 3.15Å
175	G	98.1	Very high	98.1	Very high	28 Å²	28	50.6 Å²	50.6	29%	0.289	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	26.6	179	0	0	0	0	0	114.2	F171 R172 R173	F171-G175 PolarHBondContact O-N 2.83Å; R172-G175 PolarHBondContact O-N 2.87Å; R173-G175 PolarHBondContact O-N 3.16Å
176	L	98.1	Very high	98.1	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.042	25%	0.246	C	C	.	.			trans	-112.6	150.5	-178.5	-60.4	171.4	0	0	0	111.8	F171 R172 Q174 W181 I183 L226 I229	F171-L176 HydrophobicContact CB-CB 4.18Å; F171-L176 HydrophobicContact CD1-CD1 3.94Å; F171-L176 WeakPolarHBondContact O-CB 3.35Å; F171-L176 PolarHBondContact O-N 2.77Å; R172-L176 WeakPolarHBondContact CA-O 3.32Å; Q174-L176 HydrophobicContact CB-CD1 4.43Å; L176-W181 HydrophobicContact CD2-CB 3.56Å; L176-W181 HydrophobicContact CD2-CG 4.13Å; L176-I183 HydrophobicContact CB-CD1 4.38Å; L176-L226 HydrophobicContact CD1-CD1 3.74Å; L176-L226 HydrophobicContact CD1-CD2 3.52Å; L176-L226 HydrophobicContact CD1-CG 4.3Å; L176-L226 HydrophobicContact CD2-CD1 4.48Å; L176-I229 HydrophobicContact CD1-CG2 3.91Å; L176-I229 HydrophobicContact CD2-CD1 4.39Å; L176-I229 HydrophobicContact CD2-CG2 4.29Å; L176-I229 HydrophobicContact CG-CG2 4.04Å
177	P	97.9	Very high	98.1	Very high	81 Å²	81	46.1 Å²	46.1	53%	0.526	23%	0.227	S	C	.	.	S	Bend	cis	-70.3	161.1	-5.5	31.4	-36	0	0	0	112.8	W181 I183	P177-W181 WeakPolarHBondContact CA-O 3.48Å; P177-W181 WeakPolarHBondContact CB-O 3.33Å; P177-I183 HydrophobicContact CB-CG1 4.26Å; P177-I183 HydrophobicContact CG-CG1 4.49Å
178	N	97	Very high	98.1	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.203	25%	0.251	C	S	.	.			trans	-139.1	-168.5	173.8	70	21.2	0	0	0	110.8	K180 W181	N178-K180 VanDerWaalsContact C-N 3.26Å; N178-K180 PolarHBondContact O-N 2.77Å; N178-K180 WeakPolarHBondContact OD1-CA 3.44Å; N178-K180 PolarHBondContact OD1-N 2.88Å; N178-W181 PolarHBondContact N-O 3.35Å; N178-W181 PolarHBondContact OD1-N 2.85Å
179	N	96.4	Very high	98.1	Very high	128 Å²	128	53.2 Å²	53.2	68%	0.684	26%	0.263	S	S	*	.	S	Bend	trans	-71.7	-13.9	-179.4	63.9	-25.2	0	0	0	114.6
180	K	97.8	Very high	98.1	Very high	49 Å²	49	50 Å²	50	21%	0.213	25%	0.247	C	C	.	.	S	Bend	trans	-106.8	-24.5	179.4	-61.3	-74.5	-154	158.6	0	112.5	N178 F204 E264 A265 D267	N178-K180 VanDerWaalsContact C-N 3.26Å; N178-K180 PolarHBondContact O-N 2.77Å; N178-K180 WeakPolarHBondContact OD1-CA 3.44Å; N178-K180 PolarHBondContact OD1-N 2.88Å; K180-F204 WeakPolarHBondContact O-CB 3.33Å; K180-F204 PolarHBondContact O-N 3.08Å; K180-E264 PolarHBondContact NZ-O 3.27Å; K180-A265 HydrophobicContact CB-CB 4.26Å; K180-A265 WeakPolarHBondContact CD-O 3.2Å; K180-A265 WeakPolarHBondContact CE-O 3.11Å; K180-A265 WeakPolarHBondContact CG-O 3.44Å; K180-D267 WeakPolarHBondContact CE-OD2 3.34Å; K180-D267 IonicContact NZ-OD1 2.78Å; K180-D267 PolarHBondContact NZ-OD1 3.22Å; K180-D267 IonicContact NZ-OD2 3.35Å; K180-D267 PolarHBondContact NZ-OD2 3Å
181	W	98.5	Very high	98.1	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.2	-174.6	-68.7	93.9	0	0	0	112.7	L176 P177 N178 P203 L226 V236 V238 I262 A265	L176-W181 HydrophobicContact CD2-CB 3.56Å; L176-W181 HydrophobicContact CD2-CG 4.13Å; P177-W181 WeakPolarHBondContact CA-O 3.48Å; P177-W181 WeakPolarHBondContact CB-O 3.33Å; N178-W181 PolarHBondContact N-O 3.35Å; N178-W181 PolarHBondContact OD1-N 2.85Å; W181-P203 HydrophobicContact CH2-CG 4.14Å; W181-P203 HydrophobicContact CZ3-CG 3.98Å; W181-L226 HydrophobicContact CD2-CD1 3.51Å; W181-L226 HydrophobicContact CE3-CB 3.92Å; W181-L226 HydrophobicContact CE3-CD1 3.62Å; W181-L226 HydrophobicContact CE3-CG 4.46Å; W181-L226 HydrophobicContact CG-CD1 3.94Å; W181-L226 HydrophobicContact CH2-CB 4.32Å; W181-L226 HydrophobicContact CH2-CD1 4.35Å; W181-L226 HydrophobicContact CZ2-CD1 4.27Å; W181-L226 HydrophobicContact CZ3-CB 3.74Å; W181-L226 HydrophobicContact CZ3-CD1 4.05Å; W181-V236 HydrophobicContact CH2-CG2 4.2Å; W181-V236 HydrophobicContact CZ2-CB 4.18Å; W181-V236 HydrophobicContact CZ2-CG1 3.75Å; W181-V236 HydrophobicContact CZ2-CG2 3.67Å; W181-V238 HydrophobicContact CH2-CG2 3.9Å; W181-I262 HydrophobicContact CH2-CB 4.48Å; W181-I262 HydrophobicContact CH2-CG1 4.05Å; W181-I262 HydrophobicContact CH2-CG2 4.17Å; W181-I262 HydrophobicContact CZ2-CG2 4.43Å; W181-A265 HydrophobicContact CZ2-CB 3.7Å
182	R	98.2	Very high	98	Very high	46 Å²	46	57 Å²	57	17%	0.174	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.3	176.6	69.2	-178.1	-177.4	79.1	5.6	111.5	T184 V202 F204 S206	R182-T184 VanDerWaalsContact NH1-CB 3.32Å; R182-T184 PolarHBondContact NH1-OG1 3.43Å; R182-V202 HydrophobicContact CG-CG2 3.73Å; R182-V202 PolarHBondContact N-O 2.82Å; R182-V202 PolarHBondContact O-N 3.15Å; R182-F204 HydrophobicContact CB-CD2 4.09Å; R182-S206 VanDerWaalsContact CZ-O 3.23Å; R182-S206 PolarHBondContact NE-O 3.06Å; R182-S206 PolarHBondContact NH2-O 3.41Å
183	I	98.6	Very high	98.1	Very high	24 Å²	24	49.8 Å²	49.8	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.2	166.1	-53	-54.1	0	0	0	108.9	M168 F171 L176 P177 F185 V199 L200 A201	M168-I183 HydrophobicContact CE-CG1 4.49Å; M168-I183 HydrophobicContact SD-CG2 3.81Å; F171-I183 HydrophobicContact CB-CD1 3.97Å; F171-I183 HydrophobicContact CD1-CD1 4.37Å; F171-I183 HydrophobicContact CD2-CD1 3.8Å; F171-I183 HydrophobicContact CE2-CD1 4.38Å; F171-I183 HydrophobicContact CG-CD1 3.8Å; L176-I183 HydrophobicContact CB-CD1 4.38Å; P177-I183 HydrophobicContact CB-CG1 4.26Å; P177-I183 HydrophobicContact CG-CG1 4.49Å; I183-F185 HydrophobicContact CG2-CE1 4.47Å; I183-F185 HydrophobicContact CG2-CE2 4.47Å; I183-F185 HydrophobicContact CG2-CZ 4.14Å; I183-V199 HydrophobicContact CG2-CG1 3.45Å; I183-V199 VanDerWaalsContact CG2-CG1 3.45Å; I183-L200 CarbonylContact C-O 3.19Å; I183-L200 WeakPolarHBondContact CA-O 3.46Å; I183-A201 HydrophobicContact CD1-CB 3.79Å
184	T	98.3	Very high	98.1	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.5	177.9	-168.2	0	0	0	0	111.4	R182 I186 L200 V202 L211	R182-T184 VanDerWaalsContact NH1-CB 3.32Å; R182-T184 PolarHBondContact NH1-OG1 3.43Å; T184-I186 HydrophobicContact CG2-CG2 3.78Å; T184-L200 HydrophobicContact CG2-CB 3.85Å; T184-L200 PolarHBondContact N-O 3.4Å; T184-L200 PolarHBondContact O-N 3.12Å; T184-L200 VanDerWaalsContact O-N 3.12Å; T184-V202 HydrophobicContact CG2-CG1 3.96Å; T184-V202 HydrophobicContact CG2-CG2 3.86Å; T184-L211 HydrophobicContact CG2-CD1 4.25Å
185	F	98.3	Very high	98.1	Very high	110 Å²	110	51 Å²	51	48%	0.482	27%	0.27	S	S	.	.			trans	-109.2	17.4	177.9	-56.9	-76.6	0	0	0	111.9	M168 I183 N187 K188 V199	M168-F185 HydrophobicContact SD-CE1 4.22Å; M168-F185 HydrophobicContact SD-CZ 3.92Å; I183-F185 HydrophobicContact CG2-CE1 4.47Å; I183-F185 HydrophobicContact CG2-CE2 4.47Å; I183-F185 HydrophobicContact CG2-CZ 4.14Å; F185-N187 PolarHBondContact O-N 3.15Å; F185-N187 VanDerWaalsContact O-N 3.11Å; F185-K188 HydrophobicContact CB-CB 4.4Å; F185-K188 WeakPolarHBondContact O-CB 3.49Å; F185-K188 PolarHBondContact O-N 3.24Å; F185-V199 HydrophobicContact CD1-CG2 4.1Å; F185-V199 HydrophobicContact CE1-CG1 4.07Å; F185-V199 HydrophobicContact CE1-CG2 3.87Å
186	I	98.3	Very high	98.1	Very high	20 Å²	20	49.8 Å²	49.8	10%	0.103	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.1	177	-169.6	175.8	0	0	0	112.6	T184 L192 E208 L211 R212	T184-I186 HydrophobicContact CG2-CG2 3.78Å; I186-L192 HydrophobicContact CD1-CD1 4.24Å; I186-L192 HydrophobicContact CD1-CD2 4.25Å; I186-L192 HydrophobicContact CG2-CD2 3.8Å; I186-E208 HydrophobicContact CD1-CB 3.77Å; I186-E208 HydrophobicContact CD1-CG 4.1Å; I186-L211 HydrophobicContact CD1-CB 4.02Å; I186-L211 HydrophobicContact CD1-CD1 4.01Å; I186-L211 HydrophobicContact CG2-CD1 4.06Å; I186-R212 HydrophobicContact CD1-CG 4.35Å
187	N	98.6	Very high	98.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	15.3	178.3	-155.4	46.7	0	0	0	113.7	F185 S189 Y190 L192 C193 Y196 P197 L200	F185-N187 PolarHBondContact O-N 3.15Å; F185-N187 VanDerWaalsContact O-N 3.11Å; N187-S189 PolarHBondContact O-N 2.94Å; N187-Y190 WeakPolarHBondContact O-CA 3.31Å; N187-Y190 PolarHBondContact O-N 3.03Å; N187-Y190 VanDerWaalsContact OD1-C 3.3Å; N187-Y190 WeakPolarHBondContact OD1-CA 3.41Å; N187-L192 HydrophobicContact CB-CB 4.32Å; N187-L192 WeakPolarHBondContact OD1-CB 3.36Å; N187-L192 PolarHBondContact OD1-N 3.25Å; N187-L192 VanDerWaalsContact OD1-N 3.14Å; N187-C193 PolarHBondContact ND2-O 3.13Å; N187-C193 PolarHBondContact OD1-N 2.6Å; N187-C193 PolarHBondContact OD1-O 3.1Å; N187-Y196 PolarHBondContact ND2-O 2.91Å; N187-P197 PolarHBondContact ND2-O 3.5Å; N187-L200 HydrophobicContact CB-CD1 3.87Å; N187-L200 HydrophobicContact CB-CG 4.46Å
188	K	98.2	Very high	98.2	Very high	151 Å²	151	47.3 Å²	47.3	66%	0.657	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.2	-178.2	-179.3	-178.1	176.2	-171.7	0	113.3	F185	F185-K188 HydrophobicContact CB-CB 4.4Å; F185-K188 WeakPolarHBondContact O-CB 3.49Å; F185-K188 PolarHBondContact O-N 3.24Å
189	S	97.9	Very high	98.3	Very high	83 Å²	83	46.2 Å²	46.2	58%	0.58	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	5.9	176.3	-56.2	0	0	0	0	113.2	N187 D191	N187-S189 PolarHBondContact O-N 2.94Å; S189-D191 WeakPolarHBondContact CB-OD2 3.47Å; S189-D191 PolarHBondContact O-N 3.25Å
190	Y	98.4	Very high	98.4	Very high	32 Å²	32	40.1 Å²	40.1	13%	0.125	20%	0.203	C	C	.	.	S	Bend	trans	66.7	8.2	-175	-53.4	-75.9	0	0	0	116.5	N187 L192 C193 D194 Y196 T198 E479 S480 D483	N187-Y190 WeakPolarHBondContact O-CA 3.31Å; N187-Y190 PolarHBondContact O-N 3.03Å; N187-Y190 VanDerWaalsContact OD1-C 3.3Å; N187-Y190 WeakPolarHBondContact OD1-CA 3.41Å; Y190-L192 PolarHBondContact O-N 3.15Å; Y190-C193 CarbonylContact O-C 3.5Å; Y190-C193 VanDerWaalsContact O-C 3.28Å; Y190-C193 PolarHBondContact O-N 3.37Å; Y190-D194 PolarHBondContact O-N 3.29Å; Y190-Y196 WeakPolarHBondContact CD1-O 3.34Å; Y190-T198 HydrophobicContact CD1-CG2 4.37Å; Y190-T198 HydrophobicContact CE1-CG2 3.58Å; Y190-T198 HydrophobicContact CE2-CG2 3.93Å; Y190-T198 WeakPolarHBondContact OH-CG2 3.45Å; Y190-E479 HydrophobicContact CE1-CB 4.11Å; Y190-E479 VanDerWaalsContact OH-CG 3.3Å; Y190-E479 WeakPolarHBondContact OH-CG 3.1Å; Y190-S480 VanDerWaalsContact CG-CB 3.49Å; Y190-S480 VanDerWaalsContact CZ-CA 3.48Å; Y190-D483 PolarHBondContact OH-OD2 3.36Å
191	D	97.7	Very high	98.4	Very high	139 Å²	139	37.9 Å²	37.9	74%	0.743	19%	0.193	S	C	*	.	S	Bend	trans	-66.8	-27	-176.3	-60.7	-45	0	0	0	114.8	S189	S189-D191 WeakPolarHBondContact CB-OD2 3.47Å; S189-D191 PolarHBondContact O-N 3.25Å
192	L	98.1	Very high	98.4	Very high	22 Å²	22	37.8 Å²	37.8	12%	0.115	19%	0.193	C	C	.	.	S	Bend	trans	-80.3	-40.7	178.3	-173.3	75.9	0	0	0	110.9	I186 N187 Y190 L200 R212 A215 I223	I186-L192 HydrophobicContact CD1-CD1 4.24Å; I186-L192 HydrophobicContact CD1-CD2 4.25Å; I186-L192 HydrophobicContact CG2-CD2 3.8Å; N187-L192 HydrophobicContact CB-CB 4.32Å; N187-L192 WeakPolarHBondContact OD1-CB 3.36Å; N187-L192 PolarHBondContact OD1-N 3.25Å; N187-L192 VanDerWaalsContact OD1-N 3.14Å; Y190-L192 PolarHBondContact O-N 3.15Å; L192-L200 HydrophobicContact CD2-CD1 4.47Å; L192-R212 HydrophobicContact CD1-CB 4.45Å; L192-R212 HydrophobicContact CD1-CG 3.83Å; L192-A215 HydrophobicContact CD1-CB 3.68Å; L192-A215 HydrophobicContact CG-CB 4.12Å; L192-I223 HydrophobicContact CD2-CD1 3.97Å
193	C	98.6	Very high	98.4	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.027	19%	0.185	C	C	.	.			trans	-158.3	112.9	177.3	-179.9	0	0	0	0	110.8	N187 Y190 T195 Y196 R220 G221 R222	N187-C193 PolarHBondContact ND2-O 3.13Å; N187-C193 PolarHBondContact OD1-N 2.6Å; N187-C193 PolarHBondContact OD1-O 3.1Å; Y190-C193 CarbonylContact O-C 3.5Å; Y190-C193 VanDerWaalsContact O-C 3.28Å; Y190-C193 PolarHBondContact O-N 3.37Å; C193-T195 PolarHBondContact O-N 3.03Å; C193-T195 VanDerWaalsContact O-N 3.15Å; C193-Y196 HydrophobicContact CB-CD2 4.36Å; C193-Y196 HydrophobicContact CB-CG 4.21Å; C193-Y196 PolarHBondContact O-N 2.97Å; C193-R220 PolarHBondContact SG-O 2.63Å; C193-G221 WeakPolarHBondContact CB-O 3.37Å; C193-R222 WeakPolarHBondContact SG-CG 3.49Å
194	D	98.4	Very high	98.4	Very high	92 Å²	92	40 Å²	40	49%	0.492	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17	-178.3	68.8	-19.7	0	0	0	115	Y190 S480	Y190-D194 PolarHBondContact O-N 3.29Å; D194-S480 WeakPolarHBondContact O-CB 3.21Å; D194-S480 PolarHBondContact O-OG 2.66Å
195	T	98.6	Very high	98.4	Very high	10 Å²	10	46.2 Å²	46.2	6%	0.061	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	6.4	-176.5	50.5	0	0	0	0	113.5	C193 R222 W375 F410 C478	C193-T195 PolarHBondContact O-N 3.03Å; C193-T195 VanDerWaalsContact O-N 3.15Å; T195-R222 VanDerWaalsContact C-NH1 3.33Å; T195-R222 PolarHBondContact O-NH1 3.01Å; T195-R222 PolarHBondContact OG1-NH1 3.13Å; T195-W375 HydrophobicContact CG2-CZ3 4.36Å; T195-F410 CarbonylContact O-C 3.55Å; T195-C478 HydrophobicContact CG2-CB 4.12Å
196	Y	98.8	Very high	98.3	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.208	C	C	.	.	S	Bend	trans	-103.3	160.9	171.7	-96.4	14.8	0	0	0	111.4	N187 Y190 C193 L200 R222 I223 V225 R239 F410	N187-Y196 PolarHBondContact ND2-O 2.91Å; Y190-Y196 WeakPolarHBondContact CD1-O 3.34Å; C193-Y196 HydrophobicContact CB-CD2 4.36Å; C193-Y196 HydrophobicContact CB-CG 4.21Å; C193-Y196 PolarHBondContact O-N 2.97Å; Y196-L200 HydrophobicContact CD2-CD1 4.15Å; Y196-L200 HydrophobicContact CD2-CD2 3.79Å; Y196-L200 HydrophobicContact CE2-CD2 4.5Å; Y196-L200 HydrophobicContact CG-CD2 4.33Å; Y196-R222 HydrophobicContact CD1-CB 4.44Å; Y196-R222 HydrophobicContact CD1-CG 4.08Å; Y196-R222 HydrophobicContact CE1-CB 3.81Å; Y196-R222 HydrophobicContact CE1-CG 3.88Å; Y196-R222 PolarHBondContact OH-O 2.71Å; Y196-I223 HydrophobicContact CE2-CG1 4.25Å; Y196-I223 VanDerWaalsContact CE2-O 3.24Å; Y196-I223 WeakPolarHBondContact CE2-O 3.47Å; Y196-I223 PolarHBondContact OH-O 2.92Å; Y196-V225 HydrophobicContact CD2-CG2 4.43Å; Y196-V225 HydrophobicContact CE2-CB 4.5Å; Y196-V225 HydrophobicContact CE2-CG1 3.96Å; Y196-V225 HydrophobicContact CE2-CG2 3.67Å; Y196-R239 PolarHBondContact OH-O 3.15Å; Y196-R239 VanDerWaalsContact OH-O 3.11Å; Y196-F410 AromaticContact CD1-CD1 3.84Å; Y196-F410 HydrophobicContact CD1-CD1 3.84Å; Y196-F410 HydrophobicContact CD1-CE1 4.1Å; Y196-F410 AromaticContact CE1-CD1 3.71Å; Y196-F410 HydrophobicContact CE1-CD1 3.71Å; Y196-F410 AromaticContact CE1-CE1 3.87Å; Y196-F410 HydrophobicContact CE1-CE1 3.87Å; Y196-F410 HydrophobicContact CE2-CE1 4.37Å; Y196-F410 HydrophobicContact CG-CE1 4.44Å
197	P	98.7	Very high	98.2	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.026	23%	0.234	C	C	.	.			trans	-69.5	164.1	176.1	29.4	-34	0	0	0	111.9	N187 V199 L200 S409 F410 E479	N187-P197 PolarHBondContact ND2-O 3.5Å; P197-V199 VanDerWaalsContact C-N 3.25Å; P197-V199 PolarHBondContact O-N 2.91Å; P197-L200 HydrophobicContact CG-CD2 3.81Å; P197-S409 WeakPolarHBondContact CD-O 3.44Å; P197-F410 HydrophobicContact CG-CE1 4.38Å; P197-F410 HydrophobicContact CG-CE2 4.36Å; P197-F410 HydrophobicContact CG-CZ 4.25Å; P197-E479 VanDerWaalsContact CA-OE2 3.3Å; P197-E479 WeakPolarHBondContact CA-OE2 3.4Å
198	T	98.6	Very high	98	Very high	33 Å²	33	51.5 Å²	51.5	20%	0.202	25%	0.254	C	S	.	.	S	Bend	trans	-66.2	-22.9	177.4	50.7	0	0	0	0	114.7	Y190 E479	Y190-T198 HydrophobicContact CD1-CG2 4.37Å; Y190-T198 HydrophobicContact CE1-CG2 3.58Å; Y190-T198 HydrophobicContact CE2-CG2 3.93Å; Y190-T198 WeakPolarHBondContact OH-CG2 3.45Å; T198-E479 PolarHBondContact N-OE2 3.38Å; T198-E479 VanDerWaalsContact N-OE2 3.14Å
199	V	98.6	Very high	97.9	Very high	15 Å²	15	48.5 Å²	48.5	9%	0.091	25%	0.245	C	C	.	.			trans	-119.3	120.8	-175.8	-173.7	0	0	0	0	109.5	A167 M168 F171 I183 F185 P197	A167-V199 HydrophobicContact CB-CB 3.92Å; A167-V199 HydrophobicContact CB-CG1 4.25Å; A167-V199 HydrophobicContact CB-CG2 4.25Å; M168-V199 HydrophobicContact SD-CG1 3.86Å; F171-V199 HydrophobicContact CD2-CG1 4.25Å; F171-V199 HydrophobicContact CE2-CG1 4.05Å; I183-V199 HydrophobicContact CG2-CG1 3.45Å; I183-V199 VanDerWaalsContact CG2-CG1 3.45Å; F185-V199 HydrophobicContact CD1-CG2 4.1Å; F185-V199 HydrophobicContact CE1-CG1 4.07Å; F185-V199 HydrophobicContact CE1-CG2 3.87Å; P197-V199 VanDerWaalsContact C-N 3.25Å; P197-V199 PolarHBondContact O-N 2.91Å
200	L	98.8	Very high	97.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147	-177.7	-56.4	173.2	0	0	0	111.1	I183 T184 N187 L192 Y196 P197 V225	I183-L200 CarbonylContact C-O 3.19Å; I183-L200 WeakPolarHBondContact CA-O 3.46Å; T184-L200 HydrophobicContact CG2-CB 3.85Å; T184-L200 PolarHBondContact N-O 3.4Å; T184-L200 PolarHBondContact O-N 3.12Å; T184-L200 VanDerWaalsContact O-N 3.12Å; N187-L200 HydrophobicContact CB-CD1 3.87Å; N187-L200 HydrophobicContact CB-CG 4.46Å; L192-L200 HydrophobicContact CD2-CD1 4.47Å; Y196-L200 HydrophobicContact CD2-CD1 4.15Å; Y196-L200 HydrophobicContact CD2-CD2 3.79Å; Y196-L200 HydrophobicContact CE2-CD2 4.5Å; Y196-L200 HydrophobicContact CG-CD2 4.33Å; P197-L200 HydrophobicContact CG-CD2 3.81Å; L200-V225 HydrophobicContact CB-CG1 4.17Å; L200-V225 HydrophobicContact CD1-CG1 4.32Å; L200-V225 HydrophobicContact CD2-CG1 4.23Å; L200-V225 HydrophobicContact CD2-CG2 4.37Å; L200-V225 HydrophobicContact CG-CG1 4.47Å
201	A	98.7	Very high	97.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.8	172.6	0	0	0	0	0	109.9	F171 I183 L226	F171-A201 HydrophobicContact CD1-CB 4.09Å; F171-A201 HydrophobicContact CE1-CB 3.6Å; F171-A201 HydrophobicContact CE2-CB 4.41Å; F171-A201 HydrophobicContact CZ-CB 3.79Å; I183-A201 HydrophobicContact CD1-CB 3.79Å; A201-L226 HydrophobicContact CB-CB 3.9Å; A201-L226 HydrophobicContact CB-CD2 4.36Å; A201-L226 PolarHBondContact O-N 2.64Å
202	V	98.8	Very high	97.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.9	-170.5	-61.2	0	0	0	0	111.1	R182 T184 F204 L211 V225 Y258	R182-V202 HydrophobicContact CG-CG2 3.73Å; R182-V202 PolarHBondContact N-O 2.82Å; R182-V202 PolarHBondContact O-N 3.15Å; T184-V202 HydrophobicContact CG2-CG1 3.96Å; T184-V202 HydrophobicContact CG2-CG2 3.86Å; V202-F204 PolarHBondContact O-N 3.05Å; V202-L211 HydrophobicContact CB-CD2 4.41Å; V202-L211 HydrophobicContact CG1-CD1 4.39Å; V202-L211 HydrophobicContact CG1-CD2 4.18Å; V202-L211 HydrophobicContact CG2-CD1 4.43Å; V202-V225 HydrophobicContact CG1-CG1 4.17Å; V202-Y258 WeakPolarHBondContact CG1-OH 3.29Å
203	P	98.5	Very high	97.9	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	135.2	178	-24.3	33.7	0	0	0	111.6	W181 K205 S206 Y258 L261 I262	W181-P203 HydrophobicContact CH2-CG 4.14Å; W181-P203 HydrophobicContact CZ3-CG 3.98Å; P203-K205 PolarHBondContact O-N 2.85Å; P203-S206 WeakPolarHBondContact O-CB 3.41Å; P203-S206 PolarHBondContact O-N 2.96Å; P203-S206 PolarHBondContact O-OG 3.46Å; P203-Y258 WeakPolarHBondContact CD-OH 3.36Å; P203-Y258 HydrophobicContact CG-CE2 4.2Å; P203-L261 HydrophobicContact CB-CB 3.97Å; P203-L261 HydrophobicContact CG-CB 4.23Å; P203-I262 HydrophobicContact CG-CG1 3.54Å
204	F	98	Very high	97.9	Very high	116 Å²	116	46.3 Å²	46.3	51%	0.509	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.4	-173.5	-175.7	-83.9	0	0	0	112.7	K180 R182 V202 S206	K180-F204 WeakPolarHBondContact O-CB 3.33Å; K180-F204 PolarHBondContact O-N 3.08Å; R182-F204 HydrophobicContact CB-CD2 4.09Å; V202-F204 PolarHBondContact O-N 3.05Å; F204-S206 VanDerWaalsContact C-N 3.29Å; F204-S206 PolarHBondContact O-N 2.81Å
205	K	97.5	Very high	97.9	Very high	135 Å²	135	42.5 Å²	42.5	59%	0.587	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.2	-180	-62.3	-179.7	-173.5	174.1	0	114.4	P203 L261 E264	P203-K205 PolarHBondContact O-N 2.85Å; K205-L261 HydrophobicContact CB-CD1 4.26Å; K205-L261 HydrophobicContact CB-CD2 3.78Å; K205-L261 HydrophobicContact CD-CD2 3.75Å; K205-L261 HydrophobicContact CG-CD2 4.39Å; K205-E264 IonicContact NZ-OE2 3.84Å; K205-E264 PolarHBondContact NZ-OE2 3.43Å
206	S	96.7	Very high	97.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.021	23%	0.226	C	C	.	.			trans	-73.1	134.4	-179.4	67.4	0	0	0	0	111.1	R182 P203 F204	R182-S206 VanDerWaalsContact CZ-O 3.23Å; R182-S206 PolarHBondContact NE-O 3.06Å; R182-S206 PolarHBondContact NH2-O 3.41Å; P203-S206 WeakPolarHBondContact O-CB 3.41Å; P203-S206 PolarHBondContact O-N 2.96Å; P203-S206 PolarHBondContact O-OG 3.46Å; F204-S206 VanDerWaalsContact C-N 3.29Å; F204-S206 PolarHBondContact O-N 2.81Å
207	K	95.3	Very high	97.8	Very high	150 Å²	150	46.5 Å²	46.5	65%	0.652	23%	0.229	S	C	*	.			trans	-95.1	161.1	174.2	-59.6	176.4	-176.9	175.4	0	110.3	D209 D210 L211	K207-D209 VanDerWaalsContact C-N 3.27Å; K207-D209 PolarHBondContact O-N 2.96Å; K207-D210 WeakPolarHBondContact CB-OD2 3.43Å; K207-D210 PolarHBondContact N-OD2 3.03Å; K207-D210 WeakPolarHBondContact O-CB 3.19Å; K207-D210 PolarHBondContact O-N 3.42Å; K207-L211 WeakPolarHBondContact O-CG 3.49Å; K207-L211 PolarHBondContact O-N 2.95Å; K207-L211 VanDerWaalsContact O-N 3.16Å
208	E	95.2	Very high	97.8	Very high	88 Å²	88	46.3 Å²	46.3	41%	0.411	23%	0.228	S	C	.	.	H	α-helix	trans	-65.2	-28	179.9	-60.9	-159	168.4	0	0	114.5	I186 L211 R212	I186-E208 HydrophobicContact CD1-CB 3.77Å; I186-E208 HydrophobicContact CD1-CG 4.1Å; E208-L211 PolarHBondContact O-N 3.19Å; E208-R212 WeakPolarHBondContact O-CG 3.28Å; E208-R212 PolarHBondContact O-N 3.38Å; E208-R212 PolarHBondContact O-NH1 3.09Å; E208-R212 VanDerWaalsContact O-NH1 3.08Å; E208-R212 IonicContact OE2-CZ 2.74Å; E208-R212 IonicContact OE2-NH1 3.57Å; E208-R212 PolarHBondContact OE2-NH1 3.23Å; E208-R212 IonicContact OE2-NH2 3.54Å; E208-R212 PolarHBondContact OE2-NH2 3.38Å
209	D	96.7	Very high	97.8	Very high	88 Å²	88	45.6 Å²	45.6	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-65.8	-45.4	174.8	-177.1	58.1	0	0	0	110.8	K207 L211 R212 K213	K207-D209 VanDerWaalsContact C-N 3.27Å; K207-D209 PolarHBondContact O-N 2.96Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3Å; D209-R212 PolarHBondContact O-N 3.18Å; D209-R212 VanDerWaalsContact O-N 3.12Å; D209-K213 PolarHBondContact O-N 2.8Å; D209-K213 VanDerWaalsContact O-N 3.12Å; D209-K213 WeakPolarHBondContact OD2-CE 3.44Å; D209-K213 IonicContact OD2-NZ 3.72Å; D209-K213 PolarHBondContact OD2-NZ 3.1Å
210	D	95.6	Very high	97.8	Very high	38 Å²	38	51.2 Å²	51.2	20%	0.203	24%	0.244	C	C	.	.	H	α-helix	trans	-53.1	-49.3	171.8	-40.1	-19.9	0	0	0	110.3	K207 R212 K213 V214	K207-D210 WeakPolarHBondContact CB-OD2 3.43Å; K207-D210 PolarHBondContact N-OD2 3.03Å; K207-D210 WeakPolarHBondContact O-CB 3.19Å; K207-D210 PolarHBondContact O-N 3.42Å; D210-R212 VanDerWaalsContact C-N 3.28Å; D210-R212 PolarHBondContact O-N 2.88Å; D210-K213 PolarHBondContact O-N 3.24Å; D210-K213 VanDerWaalsContact O-N 3.1Å; D210-V214 VanDerWaalsContact O-CG2 3.24Å; D210-V214 WeakPolarHBondContact O-CG2 3.4Å; D210-V214 PolarHBondContact O-N 3.44Å
211	L	98.3	Very high	97.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-37.9	179.4	-60.1	-176.1	0	0	0	112.9	T184 I186 V202 K207 E208 D209 A215 I223 Y258	T184-L211 HydrophobicContact CG2-CD1 4.25Å; I186-L211 HydrophobicContact CD1-CB 4.02Å; I186-L211 HydrophobicContact CD1-CD1 4.01Å; I186-L211 HydrophobicContact CG2-CD1 4.06Å; V202-L211 HydrophobicContact CB-CD2 4.41Å; V202-L211 HydrophobicContact CG1-CD1 4.39Å; V202-L211 HydrophobicContact CG1-CD2 4.18Å; V202-L211 HydrophobicContact CG2-CD1 4.43Å; K207-L211 WeakPolarHBondContact O-CG 3.49Å; K207-L211 PolarHBondContact O-N 2.95Å; K207-L211 VanDerWaalsContact O-N 3.16Å; E208-L211 PolarHBondContact O-N 3.19Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.39Å; L211-A215 PolarHBondContact O-N 3.42Å; L211-I223 HydrophobicContact CB-CD1 4.3Å; L211-I223 HydrophobicContact CD2-CD1 3.89Å; L211-Y258 HydrophobicContact CD2-CD2 4.27Å; L211-Y258 HydrophobicContact CD2-CE2 3.43Å; L211-Y258 VanDerWaalsContact CD2-CE2 3.43Å
212	R	98.4	Very high	97.8	Very high	119 Å²	119	51.6 Å²	51.6	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-70	-37.5	177.9	-69.5	178.5	-173.7	89.1	1.5	111.9	I186 L192 E208 D209 D210 A215 A216	I186-R212 HydrophobicContact CD1-CG 4.35Å; L192-R212 HydrophobicContact CD1-CB 4.45Å; L192-R212 HydrophobicContact CD1-CG 3.83Å; E208-R212 WeakPolarHBondContact O-CG 3.28Å; E208-R212 PolarHBondContact O-N 3.38Å; E208-R212 PolarHBondContact O-NH1 3.09Å; E208-R212 VanDerWaalsContact O-NH1 3.08Å; E208-R212 IonicContact OE2-CZ 2.74Å; E208-R212 IonicContact OE2-NH1 3.57Å; E208-R212 PolarHBondContact OE2-NH1 3.23Å; E208-R212 IonicContact OE2-NH2 3.54Å; E208-R212 PolarHBondContact OE2-NH2 3.38Å; D209-R212 PolarHBondContact O-N 3.18Å; D209-R212 VanDerWaalsContact O-N 3.12Å; D210-R212 VanDerWaalsContact C-N 3.28Å; D210-R212 PolarHBondContact O-N 2.88Å; R212-A215 PolarHBondContact O-N 3.01Å; R212-A216 PolarHBondContact O-N 2.94Å
213	K	98.3	Very high	97.8	Very high	76 Å²	76	51.6 Å²	51.6	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-70.1	-37.8	175.5	-65.4	170.1	-176.5	158.8	0	112.8	D209 D210 A216 N252 D254	D209-K213 PolarHBondContact O-N 2.8Å; D209-K213 VanDerWaalsContact O-N 3.12Å; D209-K213 WeakPolarHBondContact OD2-CE 3.44Å; D209-K213 IonicContact OD2-NZ 3.72Å; D209-K213 PolarHBondContact OD2-NZ 3.1Å; D210-K213 PolarHBondContact O-N 3.24Å; D210-K213 VanDerWaalsContact O-N 3.1Å; K213-A216 PolarHBondContact O-N 3.19Å; K213-N252 PolarHBondContact O-ND2 3.47Å; K213-D254 HydrophobicContact CB-CB 3.9Å; K213-D254 HydrophobicContact CD-CB 4.25Å; K213-D254 VanDerWaalsContact CD-CG 3.41Å; K213-D254 WeakPolarHBondContact CD-OD1 3.4Å; K213-D254 IonicContact NZ-OD1 2.78Å
214	V	98.6	Very high	97.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-42.9	171.6	178.4	0	0	0	0	109.9	D210 A216 F217 R218 I223 D254 D255 Y258	D210-V214 VanDerWaalsContact O-CG2 3.24Å; D210-V214 WeakPolarHBondContact O-CG2 3.4Å; D210-V214 PolarHBondContact O-N 3.44Å; V214-A216 VanDerWaalsContact C-N 3.32Å; V214-A216 PolarHBondContact O-N 3.32Å; V214-F217 PolarHBondContact O-N 3Å; V214-R218 HydrophobicContact CG1-CG 4.21Å; V214-R218 WeakPolarHBondContact O-CG 3.46Å; V214-R218 PolarHBondContact O-N 3.22Å; V214-I223 HydrophobicContact CB-CG2 4.03Å; V214-I223 HydrophobicContact CG1-CB 3.91Å; V214-I223 HydrophobicContact CG1-CG2 3.61Å; V214-D254 HydrophobicContact CG2-CB 4.41Å; V214-D255 WeakPolarHBondContact CG1-OD1 3.44Å; V214-Y258 HydrophobicContact CG1-CD1 4.11Å; V214-Y258 HydrophobicContact CG1-CG 4.48Å; V214-Y258 HydrophobicContact CG2-CD1 4.4Å; V214-Y258 HydrophobicContact CG2-CD2 4.4Å; V214-Y258 HydrophobicContact CG2-CG 3.97Å
215	A	98.6	Very high	97.8	Very high	13 Å²	13	46 Å²	46	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-37.6	176.5	0	0	0	0	0	112.7	L192 L211 R212 F217 R218 G221 I223	L192-A215 HydrophobicContact CD1-CB 3.68Å; L192-A215 HydrophobicContact CG-CB 4.12Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.39Å; L211-A215 PolarHBondContact O-N 3.42Å; R212-A215 PolarHBondContact O-N 3.01Å; A215-F217 PolarHBondContact O-N 3.02Å; A215-R218 PolarHBondContact O-N 3.22Å; A215-R218 VanDerWaalsContact O-O 3.07Å; A215-G221 WeakPolarHBondContact O-CA 3.3Å; A215-I223 HydrophobicContact CB-CG2 3.65Å; A215-I223 VanDerWaalsContact N-CG2 3.27Å
216	A	98.3	Very high	97.9	Very high	80 Å²	80	39.5 Å²	39.5	66%	0.661	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.2	174.7	0	0	0	0	0	114.1	R212 K213 V214	R212-A216 PolarHBondContact O-N 2.94Å; K213-A216 PolarHBondContact O-N 3.19Å; V214-A216 VanDerWaalsContact C-N 3.32Å; V214-A216 PolarHBondContact O-N 3.32Å
217	F	98.4	Very high	98	Very high	14 Å²	14	39.4 Å²	39.4	6%	0.061	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-13.7	180	-171.3	-111.9	0	0	0	114.4	V214 A215 P243 L244 V245 K250 N252 D255 Y298	V214-F217 PolarHBondContact O-N 3Å; A215-F217 PolarHBondContact O-N 3.02Å; F217-P243 HydrophobicContact CD1-CB 4.04Å; F217-P243 HydrophobicContact CE1-CB 3.48Å; F217-P243 VanDerWaalsContact CE1-CB 3.48Å; F217-P243 HydrophobicContact CZ-CB 4.05Å; F217-P243 CarbonylContact O-C 3.39Å; F217-P243 WeakPolarHBondContact O-CA 3.06Å; F217-L244 HydrophobicContact CD2-CB 4.3Å; F217-L244 WeakPolarHBondContact CE2-O 3.19Å; F217-L244 WeakPolarHBondContact O-CB 3.4Å; F217-L244 VanDerWaalsContact O-CG 3.3Å; F217-L244 WeakPolarHBondContact O-CG 3.39Å; F217-L244 PolarHBondContact O-N 3.48Å; F217-V245 HydrophobicContact CZ-CG2 4Å; F217-K250 HydrophobicContact CE2-CB 4.33Å; F217-K250 WeakPolarHBondContact CZ-O 3.4Å; F217-N252 HydrophobicContact CB-CB 3.83Å; F217-N252 WeakPolarHBondContact CB-ND2 3.17Å; F217-N252 HydrophobicContact CD1-CB 3.54Å; F217-N252 HydrophobicContact CD2-CB 3.75Å; F217-N252 HydrophobicContact CE1-CB 3.94Å; F217-N252 HydrophobicContact CE2-CB 4.15Å; F217-N252 HydrophobicContact CG-CB 3.41Å; F217-N252 VanDerWaalsContact CG-CB 3.41Å; F217-N252 HydrophobicContact CZ-CB 4.23Å; F217-D255 HydrophobicContact CD1-CB 3.83Å; F217-D255 HydrophobicContact CE1-CB 4.43Å; F217-Y298 WeakPolarHBondContact CE1-OH 3.45Å
218	R	98.6	Very high	98.2	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-96.5	130.8	174.6	-68.5	-77.7	173	177	-6.7	109.5	V214 A215 R220 G221 C240 S241 D255 E294	V214-R218 HydrophobicContact CG1-CG 4.21Å; V214-R218 WeakPolarHBondContact O-CG 3.46Å; V214-R218 PolarHBondContact O-N 3.22Å; A215-R218 PolarHBondContact O-N 3.22Å; A215-R218 VanDerWaalsContact O-O 3.07Å; R218-R220 PolarHBondContact O-N 3.2Å; R218-R220 VanDerWaalsContact O-N 3.13Å; R218-G221 PolarHBondContact O-N 3.29Å; R218-C240 PolarHBondContact NH1-SG 2.71Å; R218-S241 PolarHBondContact NH1-O 3.48Å; R218-S241 VanDerWaalsContact NH1-O 3.14Å; R218-D255 WeakPolarHBondContact CG-OD1 3.4Å; R218-D255 IonicContact CZ-OD1 3.79Å; R218-D255 IonicContact CZ-OD2 2.84Å; R218-D255 IonicContact NE-OD1 3.49Å; R218-D255 PolarHBondContact NE-OD1 3.33Å; R218-D255 IonicContact NE-OD2 3.41Å; R218-D255 IonicContact NH2-OD1 2.71Å; R218-D255 PolarHBondContact NH2-OD1 2.93Å; R218-D255 IonicContact NH2-OD2 3.36Å; R218-D255 PolarHBondContact NH2-OD2 3.22Å; R218-E294 IonicContact CZ-OE1 2.75Å; R218-E294 IonicContact NH1-OE1 2.65Å; R218-E294 PolarHBondContact NH1-OE1 2.83Å; R218-E294 IonicContact NH2-OE1 3.26Å; R218-E294 PolarHBondContact NH2-OE1 3.43Å
219	S	98.5	Very high	98.3	Very high	17 Å²	17	28.7 Å²	28.7	12%	0.119	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-49	121.2	-179	-173.3	0	0	0	0	112.1	G221 R222 S241 Q242	S219-G221 VanDerWaalsContact C-N 3.28Å; S219-G221 PolarHBondContact O-N 2.98Å; S219-R222 PolarHBondContact O-N 3.34Å; S219-S241 PolarHBondContact N-OG 2.97Å; S219-S241 WeakPolarHBondContact O-CB 3.38Å; S219-S241 PolarHBondContact O-OG 2.85Å; S219-Q242 PolarHBondContact N-O 3.28Å
220	R	98	Very high	98.3	Very high	134 Å²	134	26 Å²	26	51%	0.506	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	62.6	25.4	-178.3	-47	174	-177.8	-83.4	0.8	115	C193 R218 R222 D373 W375	C193-R220 PolarHBondContact SG-O 2.63Å; R218-R220 PolarHBondContact O-N 3.2Å; R218-R220 VanDerWaalsContact O-N 3.13Å; R220-R222 HydrophobicContact CB-CG 4.33Å; R220-R222 PolarHBondContact O-N 3.02Å; R220-D373 IonicContact CZ-OD1 2.74Å; R220-D373 IonicContact NE-OD1 3.26Å; R220-D373 PolarHBondContact NE-OD1 3.38Å; R220-D373 IonicContact NH2-OD1 3.46Å; R220-D373 PolarHBondContact NH2-OD1 3.03Å; R220-W375 VanDerWaalsContact CD-CH2 3.49Å; R220-W375 VanDerWaalsContact CD-CZ3 3.43Å
221	G	98.3	Very high	98.2	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	72.1	8.8	179.7	0	0	0	0	0	114.6	C193 A215 R218 S219 I223	C193-G221 WeakPolarHBondContact CB-O 3.37Å; A215-G221 WeakPolarHBondContact O-CA 3.3Å; R218-G221 PolarHBondContact O-N 3.29Å; S219-G221 VanDerWaalsContact C-N 3.28Å; S219-G221 PolarHBondContact O-N 2.98Å; G221-I223 PolarHBondContact O-N 2.86Å
222	R	98.8	Very high	97.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.			trans	-79.3	69.6	-174.4	-66	175.1	69.9	79.5	3.3	110.9	C193 T195 Y196 S219 R220 C240 S241 D373 G374 F410	C193-R222 WeakPolarHBondContact SG-CG 3.49Å; T195-R222 VanDerWaalsContact C-NH1 3.33Å; T195-R222 PolarHBondContact O-NH1 3.01Å; T195-R222 PolarHBondContact OG1-NH1 3.13Å; Y196-R222 HydrophobicContact CD1-CB 4.44Å; Y196-R222 HydrophobicContact CD1-CG 4.08Å; Y196-R222 HydrophobicContact CE1-CB 3.81Å; Y196-R222 HydrophobicContact CE1-CG 3.88Å; Y196-R222 PolarHBondContact OH-O 2.71Å; S219-R222 PolarHBondContact O-N 3.34Å; R220-R222 HydrophobicContact CB-CG 4.33Å; R220-R222 PolarHBondContact O-N 3.02Å; R222-C240 WeakPolarHBondContact O-CA 3.25Å; R222-C240 WeakPolarHBondContact O-CB 3.47Å; R222-S241 PolarHBondContact O-N 2.74Å; R222-S241 PolarHBondContact O-OG 3.38Å; R222-D373 WeakPolarHBondContact CD-O 3.42Å; R222-D373 PolarHBondContact NE-O 2.78Å; R222-G374 PolarHBondContact NH2-O 3.44Å; R222-F410 PolarHBondContact NH1-O 3.02Å; R222-F410 PolarHBondContact NH2-O 3.48Å
223	I	98.9	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.			trans	-61.7	159.7	-177.2	61.4	163.1	0	0	0	112.9	L192 Y196 L211 V214 A215 G221 V225	L192-I223 HydrophobicContact CD2-CD1 3.97Å; Y196-I223 HydrophobicContact CE2-CG1 4.25Å; Y196-I223 VanDerWaalsContact CE2-O 3.24Å; Y196-I223 WeakPolarHBondContact CE2-O 3.47Å; Y196-I223 PolarHBondContact OH-O 2.92Å; L211-I223 HydrophobicContact CB-CD1 4.3Å; L211-I223 HydrophobicContact CD2-CD1 3.89Å; V214-I223 HydrophobicContact CB-CG2 4.03Å; V214-I223 HydrophobicContact CG1-CB 3.91Å; V214-I223 HydrophobicContact CG1-CG2 3.61Å; A215-I223 HydrophobicContact CB-CG2 3.65Å; A215-I223 VanDerWaalsContact N-CG2 3.27Å; G221-I223 PolarHBondContact O-N 2.86Å; I223-V225 HydrophobicContact CD1-CG1 4.18Å; I223-V225 HydrophobicContact CG1-CG1 3.91Å; I223-V225 PolarHBondContact O-N 3.26Å
224	P	98.9	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.			trans	-64.4	117.7	173.3	-13.4	26.4	0	0	0	111.7	V238 R239 C240 Y258 L259 I262 L368	P224-V238 HydrophobicContact CB-CG1 3.47Å; P224-V238 VanDerWaalsContact CB-CG1 3.47Å; P224-R239 WeakPolarHBondContact CA-O 3.4Å; P224-C240 HydrophobicContact CB-CB 4.12Å; P224-C240 HydrophobicContact CG-CB 3.93Å; P224-Y258 HydrophobicContact CB-CD1 4.4Å; P224-Y258 HydrophobicContact CB-CE1 3.87Å; P224-Y258 HydrophobicContact CG-CD1 4.12Å; P224-Y258 HydrophobicContact CG-CE1 3.97Å; P224-Y258 WeakPolarHBondContact O-CE1 3.38Å; P224-Y258 PolarHBondContact O-OH 3.34Å; P224-L259 HydrophobicContact CB-CD2 4.25Å; P224-L259 HydrophobicContact CG-CD2 3.74Å; P224-I262 HydrophobicContact CB-CD1 3.77Å; P224-L368 HydrophobicContact CB-CD1 3.81Å; P224-L368 HydrophobicContact CG-CD1 3.95Å
225	V	98.9	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.6	177	-61.8	0	0	0	0	111.1	Y196 L200 V202 I223 S227 V238 R239 F410	Y196-V225 HydrophobicContact CD2-CG2 4.43Å; Y196-V225 HydrophobicContact CE2-CB 4.5Å; Y196-V225 HydrophobicContact CE2-CG1 3.96Å; Y196-V225 HydrophobicContact CE2-CG2 3.67Å; L200-V225 HydrophobicContact CB-CG1 4.17Å; L200-V225 HydrophobicContact CD1-CG1 4.32Å; L200-V225 HydrophobicContact CD2-CG1 4.23Å; L200-V225 HydrophobicContact CD2-CG2 4.37Å; L200-V225 HydrophobicContact CG-CG1 4.47Å; V202-V225 HydrophobicContact CG1-CG1 4.17Å; I223-V225 HydrophobicContact CD1-CG1 4.18Å; I223-V225 HydrophobicContact CG1-CG1 3.91Å; I223-V225 PolarHBondContact O-N 3.26Å; V225-S227 PolarHBondContact O-N 3.04Å; V225-V238 CarbonylContact O-C 3.55Å; V225-V238 WeakPolarHBondContact O-CA 3.46Å; V225-V238 WeakPolarHBondContact O-CG1 3.44Å; V225-R239 HydrophobicContact CG2-CG 4.4Å; V225-R239 PolarHBondContact N-O 2.97Å; V225-R239 PolarHBondContact O-N 2.89Å; V225-F410 HydrophobicContact CG2-CE1 3.46Å; V225-F410 VanDerWaalsContact CG2-CE1 3.46Å; V225-F410 HydrophobicContact CG2-CZ 3.61Å
226	L	98.8	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.7	-177.8	-179.6	158.3	0	0	0	110.9	F171 L176 W181 A201 I229 V236	F171-L226 HydrophobicContact CD1-CD2 4.44Å; F171-L226 HydrophobicContact CE1-CD2 4.12Å; L176-L226 HydrophobicContact CD1-CD1 3.74Å; L176-L226 HydrophobicContact CD1-CD2 3.52Å; L176-L226 HydrophobicContact CD1-CG 4.3Å; L176-L226 HydrophobicContact CD2-CD1 4.48Å; W181-L226 HydrophobicContact CD2-CD1 3.51Å; W181-L226 HydrophobicContact CE3-CB 3.92Å; W181-L226 HydrophobicContact CE3-CD1 3.62Å; W181-L226 HydrophobicContact CE3-CG 4.46Å; W181-L226 HydrophobicContact CG-CD1 3.94Å; W181-L226 HydrophobicContact CH2-CB 4.32Å; W181-L226 HydrophobicContact CH2-CD1 4.35Å; W181-L226 HydrophobicContact CZ2-CD1 4.27Å; W181-L226 HydrophobicContact CZ3-CB 3.74Å; W181-L226 HydrophobicContact CZ3-CD1 4.05Å; A201-L226 HydrophobicContact CB-CB 3.9Å; A201-L226 HydrophobicContact CB-CD2 4.36Å; A201-L226 PolarHBondContact O-N 2.64Å; L226-I229 HydrophobicContact CD1-CB 4.19Å; L226-V236 HydrophobicContact CD1-CG1 3.9Å
227	S	98.8	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-42.1	170	179.1	0	0	0	0	110.8	Q174 V225 I237 M386 K405 E406	Q174-S227 PolarHBondContact NE2-O 3.16Å; V225-S227 PolarHBondContact O-N 3.04Å; S227-I237 WeakPolarHBondContact CA-O 3.45Å; S227-I237 WeakPolarHBondContact CB-O 3.29Å; S227-I237 PolarHBondContact N-O 3.35Å; S227-M386 WeakPolarHBondContact OG-CE 3.46Å; S227-K405 WeakPolarHBondContact O-CE 3.38Å; S227-K405 PolarHBondContact O-NZ 3.48Å; S227-E406 PolarHBondContact OG-OE1 3.31Å; S227-E406 PolarHBondContact OG-OE2 2.91Å
228	W	98.8	Very high	97.7	Very high	12 Å²	12	29.9 Å²	29.9	5%	0.045	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156	178.9	-166.9	75.7	0	0	0	112.7	H230 V236 I237 V361 M386 L389 D390 Y393	W228-H230 VanDerWaalsContact CH2-CA 3.48Å; W228-H230 HydrophobicContact CH2-CB 3.78Å; W228-H230 AromaticContact CH2-CD2 3.66Å; W228-H230 AromaticContact CH2-CG 3.92Å; W228-H230 VanDerWaalsContact CZ3-CA 3.46Å; W228-H230 HydrophobicContact CZ3-CB 3.56Å; W228-H230 AromaticContact CZ3-CD2 3.95Å; W228-V236 CarbonylContact O-C 3.44Å; W228-V236 VanDerWaalsContact O-CA 3.27Å; W228-V236 WeakPolarHBondContact O-CA 3.36Å; W228-V236 WeakPolarHBondContact O-CB 3.08Å; W228-I237 HydrophobicContact CB-CB 4.2Å; W228-I237 HydrophobicContact CB-CD1 4.33Å; W228-I237 HydrophobicContact CB-CG1 4.47Å; W228-I237 HydrophobicContact CE3-CD1 4.48Å; W228-I237 PolarHBondContact N-O 2.85Å; W228-I237 VanDerWaalsContact N-O 3.17Å; W228-I237 PolarHBondContact O-N 2.78Å; W228-V361 HydrophobicContact CE3-CG1 4.08Å; W228-V361 HydrophobicContact CZ3-CG1 3.65Å; W228-M386 HydrophobicContact CB-CG 3.7Å; W228-M386 HydrophobicContact CB-SD 3.68Å; W228-M386 HydrophobicContact CG-CG 3.73Å; W228-M386 HydrophobicContact CG-SD 4Å; W228-L389 HydrophobicContact CE3-CD1 3.95Å; W228-L389 HydrophobicContact CH2-CB 3.82Å; W228-L389 HydrophobicContact CH2-CD1 4.21Å; W228-L389 HydrophobicContact CH2-CG 4.42Å; W228-L389 HydrophobicContact CZ2-CB 4.04Å; W228-L389 HydrophobicContact CZ3-CB 4.19Å; W228-L389 HydrophobicContact CZ3-CD1 3.71Å; W228-L389 HydrophobicContact CZ3-CG 4.39Å; W228-D390 HydrophobicContact CZ2-CB 3.9Å; W228-D390 PolarHBondContact NE1-OD2 2.95Å; W228-Y393 AromaticContact CD1-CE2 3.9Å
229	I	98.5	Very high	97.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.7	170.9	-177.5	163.7	0	0	0	111.4	Q174 L176 L226 R231 V236	Q174-I229 HydrophobicContact CB-CG2 3.85Å; Q174-I229 WeakPolarHBondContact O-CG2 3.1Å; L176-I229 HydrophobicContact CD1-CG2 3.91Å; L176-I229 HydrophobicContact CD2-CD1 4.39Å; L176-I229 HydrophobicContact CD2-CG2 4.29Å; L176-I229 HydrophobicContact CG-CG2 4.04Å; L226-I229 HydrophobicContact CD1-CB 4.19Å; I229-R231 PolarHBondContact O-N 3.13Å; I229-V236 HydrophobicContact CB-CG1 3.88Å; I229-V236 HydrophobicContact CD1-CG1 3.92Å; I229-V236 HydrophobicContact CG1-CG1 3.8Å
230	H	96.8	Very high	97.8	Very high	31 Å²	31	29 Å²	29	14%	0.144	13%	0.127	C	C	.	.			trans	-71.9	120.9	174.2	-165.1	-69.3	0	0	0	110.3	W228 E232 N233 Q234 A235	W228-H230 VanDerWaalsContact CH2-CA 3.48Å; W228-H230 HydrophobicContact CH2-CB 3.78Å; W228-H230 AromaticContact CH2-CD2 3.66Å; W228-H230 AromaticContact CH2-CG 3.92Å; W228-H230 VanDerWaalsContact CZ3-CA 3.46Å; W228-H230 HydrophobicContact CZ3-CB 3.56Å; W228-H230 AromaticContact CZ3-CD2 3.95Å; H230-E232 VanDerWaalsContact C-N 3.25Å; H230-E232 PolarHBondContact ND1-N 2.87Å; H230-E232 PolarHBondContact O-N 2.86Å; H230-N233 WeakPolarHBondContact CB-OD1 3.37Å; H230-N233 VanDerWaalsContact CG-OD1 3.25Å; H230-N233 PolarHBondContact ND1-N 3.27Å; H230-Q234 WeakPolarHBondContact O-CA 3.48Å; H230-Q234 PolarHBondContact O-N 3.17Å; H230-Q234 VanDerWaalsContact O-N 3.11Å; H230-Q234 PolarHBondContact O-NE2 3.46Å; H230-A235 WeakPolarHBondContact CB-O 3.49Å; H230-A235 PolarHBondContact N-O 2.77Å
231	R	92.6	Very high	97.8	Very high	156 Å²	156	22.7 Å²	22.7	59%	0.589	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.6	-173.5	-72	-64.3	-56.2	-133.3	1.1	114.1	R173 Q174 I229 Q234	R173-R231 PolarHBondContact O-NH1 3.42Å; Q174-R231 WeakPolarHBondContact O-CD 3.42Å; I229-R231 PolarHBondContact O-N 3.13Å; R231-Q234 PolarHBondContact O-NE2 3.18Å
232	E	92.6	Very high	97.8	Very high	166 Å²	166	22.8 Å²	22.8	78%	0.776	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-75.2	-180	-55.4	177.2	169.8	0	0	111.6	H230 Q234	H230-E232 VanDerWaalsContact C-N 3.25Å; H230-E232 PolarHBondContact ND1-N 2.87Å; H230-E232 PolarHBondContact O-N 2.86Å; E232-Q234 PolarHBondContact O-N 3Å; E232-Q234 VanDerWaalsContact O-N 3.1Å; E232-Q234 PolarHBondContact O-NE2 2.91Å
233	N	95.1	Very high	97.8	Very high	41 Å²	41	22.8 Å²	22.8	22%	0.219	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.4	-173.1	76.2	28.3	0	0	0	116.3	H230 A235 N266 V361 S362 G364	H230-N233 WeakPolarHBondContact CB-OD1 3.37Å; H230-N233 VanDerWaalsContact CG-OD1 3.25Å; H230-N233 PolarHBondContact ND1-N 3.27Å; N233-A235 PolarHBondContact O-N 2.85Å; N233-A235 WeakPolarHBondContact OD1-CB 3.47Å; N233-A235 PolarHBondContact OD1-N 2.66Å; N233-N266 PolarHBondContact O-ND2 3.33Å; N233-N266 PolarHBondContact O-OD1 3.14Å; N233-V361 PolarHBondContact ND2-O 3.18Å; N233-S362 PolarHBondContact ND2-O 3.42Å; N233-G364 WeakPolarHBondContact ND2-CA 3.42Å
234	Q	97	Very high	97.8	Very high	59 Å²	59	25.5 Å²	25.5	28%	0.276	12%	0.115	S	C	.	.			trans	58	9.6	-179.9	-54.3	-57.1	-70.1	0	0	116.5	H230 R231 E232	H230-Q234 WeakPolarHBondContact O-CA 3.48Å; H230-Q234 PolarHBondContact O-N 3.17Å; H230-Q234 VanDerWaalsContact O-N 3.11Å; H230-Q234 PolarHBondContact O-NE2 3.46Å; R231-Q234 PolarHBondContact O-NE2 3.18Å; E232-Q234 PolarHBondContact O-N 3Å; E232-Q234 VanDerWaalsContact O-N 3.1Å; E232-Q234 PolarHBondContact O-NE2 2.91Å
235	A	98.2	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.118	C	C	.	.			trans	-66.1	140	173	0	0	0	0	0	111	H230 N233 N266 V361	H230-A235 WeakPolarHBondContact CB-O 3.49Å; H230-A235 PolarHBondContact N-O 2.77Å; N233-A235 PolarHBondContact O-N 2.85Å; N233-A235 WeakPolarHBondContact OD1-CB 3.47Å; N233-A235 PolarHBondContact OD1-N 2.66Å; A235-N266 WeakPolarHBondContact CA-ND2 3.4Å; A235-N266 PolarHBondContact N-ND2 2.87Å; A235-V361 HydrophobicContact CB-CG1 3.96Å
236	V	98.8	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152	-175.5	-63.1	0	0	0	0	112.9	W181 L226 W228 I229 V238 I262 S366 V367	W181-V236 HydrophobicContact CH2-CG2 4.2Å; W181-V236 HydrophobicContact CZ2-CB 4.18Å; W181-V236 HydrophobicContact CZ2-CG1 3.75Å; W181-V236 HydrophobicContact CZ2-CG2 3.67Å; L226-V236 HydrophobicContact CD1-CG1 3.9Å; W228-V236 CarbonylContact O-C 3.44Å; W228-V236 VanDerWaalsContact O-CA 3.27Å; W228-V236 WeakPolarHBondContact O-CA 3.36Å; W228-V236 WeakPolarHBondContact O-CB 3.08Å; I229-V236 HydrophobicContact CB-CG1 3.88Å; I229-V236 HydrophobicContact CD1-CG1 3.92Å; I229-V236 HydrophobicContact CG1-CG1 3.8Å; V236-V238 HydrophobicContact CB-CG2 4.33Å; V236-V238 HydrophobicContact CG2-CG2 3.68Å; V236-I262 HydrophobicContact CG2-CG2 4.31Å; V236-S366 PolarHBondContact N-OG 2.67Å; V236-V367 PolarHBondContact O-N 2.96Å
237	I	98.9	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.1	159	-60.2	173.6	0	0	0	107.2	S227 W228 V357 V361 V367 V369 T382 A385 M386 L389	S227-I237 WeakPolarHBondContact CA-O 3.45Å; S227-I237 WeakPolarHBondContact CB-O 3.29Å; S227-I237 PolarHBondContact N-O 3.35Å; W228-I237 HydrophobicContact CB-CB 4.2Å; W228-I237 HydrophobicContact CB-CD1 4.33Å; W228-I237 HydrophobicContact CB-CG1 4.47Å; W228-I237 HydrophobicContact CE3-CD1 4.48Å; W228-I237 PolarHBondContact N-O 2.85Å; W228-I237 VanDerWaalsContact N-O 3.17Å; W228-I237 PolarHBondContact O-N 2.78Å; I237-V357 HydrophobicContact CD1-CG1 3.99Å; I237-V357 HydrophobicContact CG1-CG1 4.18Å; I237-V357 HydrophobicContact CG2-CG1 4.48Å; I237-V361 HydrophobicContact CG1-CG2 3.87Å; I237-V367 HydrophobicContact CB-CG2 4.37Å; I237-V367 HydrophobicContact CG1-CG2 3.99Å; I237-V367 HydrophobicContact CG2-CG2 4.46Å; I237-V369 HydrophobicContact CG2-CG2 4.28Å; I237-T382 HydrophobicContact CG2-CG2 3.77Å; I237-A385 HydrophobicContact CD1-CB 3.91Å; I237-M386 HydrophobicContact CD1-CG 4.44Å; I237-L389 HydrophobicContact CD1-CD1 3.81Å
238	V	98.9	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.7	174.6	178.8	0	0	0	0	109.5	W181 P224 V225 V236 I262 V367 L368 V369	W181-V238 HydrophobicContact CH2-CG2 3.9Å; P224-V238 HydrophobicContact CB-CG1 3.47Å; P224-V238 VanDerWaalsContact CB-CG1 3.47Å; V225-V238 CarbonylContact O-C 3.55Å; V225-V238 WeakPolarHBondContact O-CA 3.46Å; V225-V238 WeakPolarHBondContact O-CG1 3.44Å; V236-V238 HydrophobicContact CB-CG2 4.33Å; V236-V238 HydrophobicContact CG2-CG2 3.68Å; V238-I262 HydrophobicContact CG1-CD1 4.06Å; V238-I262 HydrophobicContact CG2-CG2 3.79Å; V238-V367 PolarHBondContact N-O 3.46Å; V238-L368 HydrophobicContact CG1-CG 4.45Å; V238-L368 CarbonylContact O-C 3.53Å; V238-L368 WeakPolarHBondContact O-CA 3.21Å; V238-V369 PolarHBondContact O-N 3.45Å
239	R	98.9	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.5	177.9	63.1	-178.5	-65.1	177.9	-5.1	114	Y196 P224 V225 V369 G374 T378 T382 E406 F410	Y196-R239 PolarHBondContact OH-O 3.15Å; Y196-R239 VanDerWaalsContact OH-O 3.11Å; P224-R239 WeakPolarHBondContact CA-O 3.4Å; V225-R239 HydrophobicContact CG2-CG 4.4Å; V225-R239 PolarHBondContact N-O 2.97Å; V225-R239 PolarHBondContact O-N 2.89Å; R239-V369 WeakPolarHBondContact CA-O 3.49Å; R239-G374 PolarHBondContact NH2-O 3.02Å; R239-T378 HydrophobicContact CB-CG2 3.82Å; R239-T382 HydrophobicContact CB-CG2 4.1Å; R239-E406 WeakPolarHBondContact CD-OE2 3.36Å; R239-E406 IonicContact CZ-OE2 2.67Å; R239-E406 IonicContact NE-OE2 3.28Å; R239-E406 PolarHBondContact NH1-O 3.35Å; R239-E406 IonicContact NH1-OE2 3.53Å; R239-E406 PolarHBondContact NH1-OE2 3.03Å; R239-F410 HydrophobicContact CG-CD1 4.48Å; R239-F410 HydrophobicContact CG-CE1 4.13Å; R239-F410 HydrophobicContact CG-CZ 4.4Å
240	C	98.9	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.			trans	-154	-177.1	174.6	61.3	0	0	0	0	113.2	R218 R222 P224 L368 V369 H370 G374	R218-C240 PolarHBondContact NH1-SG 2.71Å; R222-C240 WeakPolarHBondContact O-CA 3.25Å; R222-C240 WeakPolarHBondContact O-CB 3.47Å; P224-C240 HydrophobicContact CB-CB 4.12Å; P224-C240 HydrophobicContact CG-CB 3.93Å; C240-L368 WeakPolarHBondContact SG-CD2 3.29Å; C240-V369 PolarHBondContact N-O 3.4Å; C240-H370 WeakPolarHBondContact O-CA 3.22Å; C240-H370 VanDerWaalsContact O-CB 3.22Å; C240-H370 WeakPolarHBondContact O-CB 3.22Å; C240-G374 VanDerWaalsContact O-CA 3.26Å; C240-G374 WeakPolarHBondContact O-CA 3.43Å
241	S	98.8	Very high	96.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.			trans	-86.8	175.7	158.6	66	0	0	0	0	112.3	R218 S219 R222 S372	R218-S241 PolarHBondContact NH1-O 3.48Å; R218-S241 VanDerWaalsContact NH1-O 3.14Å; S219-S241 PolarHBondContact N-OG 2.97Å; S219-S241 WeakPolarHBondContact O-CB 3.38Å; S219-S241 PolarHBondContact O-OG 2.85Å; R222-S241 PolarHBondContact O-N 2.74Å; R222-S241 PolarHBondContact O-OG 3.38Å; S241-S372 WeakPolarHBondContact CB-O 3.35Å
242	Q	98.7	Very high	96.5	Very high	11 Å²	11	45 Å²	45	5%	0.051	23%	0.231	C	C	.	.			trans	-59.1	154.1	168.4	72.1	-172.6	-40.2	0	0	113.3	S219 N286 G292 C371 S372	S219-Q242 PolarHBondContact N-O 3.28Å; Q242-N286 PolarHBondContact NE2-OD1 2.71Å; Q242-N286 VanDerWaalsContact NE2-OD1 3.09Å; Q242-N286 VanDerWaalsContact OE1-CB 3.32Å; Q242-G292 WeakPolarHBondContact CB-O 3.37Å; Q242-G292 PolarHBondContact OE1-O 2.82Å; Q242-C371 WeakPolarHBondContact CB-O 3.13Å; Q242-C371 PolarHBondContact N-O 3.33Å; Q242-S372 VanDerWaalsContact CG-O 3.31Å; Q242-S372 WeakPolarHBondContact CG-O 3.26Å; Q242-S372 PolarHBondContact N-O 3.46Å
243	P	98.5	Very high	96.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-74.9	154.7	165.6	32.2	-34.6	0	0	0	112.2	F217 V245 G291 G292 E294	F217-P243 HydrophobicContact CD1-CB 4.04Å; F217-P243 HydrophobicContact CE1-CB 3.48Å; F217-P243 VanDerWaalsContact CE1-CB 3.48Å; F217-P243 HydrophobicContact CZ-CB 4.05Å; F217-P243 CarbonylContact O-C 3.39Å; F217-P243 WeakPolarHBondContact O-CA 3.06Å; P243-V245 HydrophobicContact CB-CG2 4.02Å; P243-V245 HydrophobicContact CG-CG2 3.92Å; P243-V245 PolarHBondContact O-N 2.74Å; P243-G291 CarbonylContact O-C 3.43Å; P243-G292 PolarHBondContact O-N 2.8Å; P243-E294 WeakPolarHBondContact CD-OE2 3.45Å; P243-E294 HydrophobicContact CG-CG 4.39Å
244	L	97.9	Very high	96.8	Very high	57 Å²	57	45.7 Å²	45.7	30%	0.298	23%	0.232	S	C	.	.			trans	-94.6	55.7	-178.2	-62.9	175.7	0	0	0	112.2	F217 G290	F217-L244 HydrophobicContact CD2-CB 4.3Å; F217-L244 WeakPolarHBondContact CE2-O 3.19Å; F217-L244 WeakPolarHBondContact O-CB 3.4Å; F217-L244 VanDerWaalsContact O-CG 3.3Å; F217-L244 WeakPolarHBondContact O-CG 3.39Å; F217-L244 PolarHBondContact O-N 3.48Å; L244-G290 CarbonylContact C-O 3.47Å; L244-G290 VanDerWaalsContact CA-O 3.32Å; L244-G290 WeakPolarHBondContact CA-O 3.34Å
245	V	96.8	Very high	96.9	Very high	13 Å²	13	42.9 Å²	42.9	8%	0.079	22%	0.219	C	C	.	.			trans	-68.1	-44.9	-176.4	-179.6	0	0	0	0	111.9	F217 P243 K250 G291	F217-V245 HydrophobicContact CZ-CG2 4Å; P243-V245 HydrophobicContact CB-CG2 4.02Å; P243-V245 HydrophobicContact CG-CG2 3.92Å; P243-V245 PolarHBondContact O-N 2.74Å; V245-K250 VanDerWaalsContact O-CB 3.28Å; V245-K250 WeakPolarHBondContact O-CB 3.42Å; V245-K250 PolarHBondContact O-N 3.37Å; V245-G291 PolarHBondContact N-O 2.58Å
246	G	95.2	Very high	96.9	Very high	8 Å²	8	44.3 Å²	44.3	8%	0.082	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-177.6	-174.7	0	0	0	0	0	114.7	S248 G249 K287 G291	G246-S248 VanDerWaalsContact C-N 3.25Å; G246-S248 PolarHBondContact O-N 3.26Å; G246-G249 PolarHBondContact O-N 3.08Å; G246-K287 CarbonylContact C-O 3.54Å; G246-K287 VanDerWaalsContact CA-O 3.25Å; G246-K287 WeakPolarHBondContact CA-O 3.44Å; G246-K287 WeakPolarHBondContact O-CE 3.2Å; G246-K287 VanDerWaalsContact O-CG 3.31Å; G246-K287 WeakPolarHBondContact O-CG 3.49Å; G246-G291 PolarHBondContact N-O 3.03Å
247	M	92.7	Very high	96.8	Very high	151 Å²	151	49.6 Å²	49.6	74%	0.744	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.8	176.7	-64	-169.8	-65.5	0	0	112.8	G249 K287 A288	M247-G249 PolarHBondContact O-N 3.29Å; M247-K287 PolarHBondContact N-O 3.31Å; M247-K287 VanDerWaalsContact N-O 3.12Å; M247-A288 HydrophobicContact CG-CB 4.48Å; M247-A288 HydrophobicContact SD-CB 4.33Å
248	S	92.3	Very high	96.8	Very high	108 Å²	108	49.6 Å²	49.6	76%	0.755	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-0.4	-179.3	-46.9	0	0	0	0	114.6	G246 K250	G246-S248 VanDerWaalsContact C-N 3.25Å; G246-S248 PolarHBondContact O-N 3.26Å; S248-K250 PolarHBondContact O-N 2.95Å
249	G	92.7	Very high	96.8	Very high	31 Å²	31	49.9 Å²	49.9	32%	0.32	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	39	-179	0	0	0	0	0	113	G246 M247 R251	G246-G249 PolarHBondContact O-N 3.08Å; M247-G249 PolarHBondContact O-N 3.29Å; G249-R251 PolarHBondContact O-N 3.14Å
250	K	94.5	Very high	96.7	Very high	137 Å²	137	51.7 Å²	51.7	60%	0.596	26%	0.257	S	S	*	.			trans	-61	136.6	179.7	-66.5	-177.2	176.8	179.4	0	110.3	F217 V245 S248	F217-K250 HydrophobicContact CE2-CB 4.33Å; F217-K250 WeakPolarHBondContact CZ-O 3.4Å; V245-K250 VanDerWaalsContact O-CB 3.28Å; V245-K250 WeakPolarHBondContact O-CB 3.42Å; V245-K250 PolarHBondContact O-N 3.37Å; S248-K250 PolarHBondContact O-N 2.95Å
251	R	95.2	Very high	96.6	Very high	138 Å²	138	52.2 Å²	52.2	52%	0.521	26%	0.26	S	S	.	.			trans	-114.9	156.5	177.9	-68.4	179.5	66	161.7	-2.1	110.5	G249 E256 E297	G249-R251 PolarHBondContact O-N 3.14Å; R251-E256 WeakPolarHBondContact CB-OE1 3.46Å; R251-E256 IonicContact CZ-OE1 3.38Å; R251-E256 IonicContact CZ-OE2 3.71Å; R251-E256 IonicContact NE-OE1 2.78Å; R251-E256 PolarHBondContact NE-OE1 3.04Å; R251-E256 IonicContact NE-OE2 3.83Å; R251-E256 VanDerWaalsContact NH2-CD 3.28Å; R251-E256 IonicContact NH2-OE1 3.15Å; R251-E256 PolarHBondContact NH2-OE1 3.26Å; R251-E256 VanDerWaalsContact NH2-OE1 3.15Å; R251-E256 IonicContact NH2-OE2 2.74Å; R251-E256 PolarHBondContact NH2-OE2 2.6Å; R251-E297 HydrophobicContact CG-CG 4.29Å
252	N	96.3	Very high	96.6	Very high	26 Å²	26	52.2 Å²	52.2	14%	0.139	26%	0.26	C	S	.	.			trans	-136.9	112.4	171.1	-176.6	-53	0	0	0	108.6	K213 F217 D254 D255 E256	K213-N252 PolarHBondContact O-ND2 3.47Å; F217-N252 HydrophobicContact CB-CB 3.83Å; F217-N252 WeakPolarHBondContact CB-ND2 3.17Å; F217-N252 HydrophobicContact CD1-CB 3.54Å; F217-N252 HydrophobicContact CD2-CB 3.75Å; F217-N252 HydrophobicContact CE1-CB 3.94Å; F217-N252 HydrophobicContact CE2-CB 4.15Å; F217-N252 HydrophobicContact CG-CB 3.41Å; F217-N252 VanDerWaalsContact CG-CB 3.41Å; F217-N252 HydrophobicContact CZ-CB 4.23Å; N252-D254 VanDerWaalsContact C-N 3.26Å; N252-D254 PolarHBondContact O-N 2.86Å; N252-D254 WeakPolarHBondContact OD1-CA 3.36Å; N252-D254 WeakPolarHBondContact OD1-CB 3.44Å; N252-D254 PolarHBondContact OD1-N 3.15Å; N252-D255 HydrophobicContact CB-CB 4.01Å; N252-D255 PolarHBondContact O-N 3.06Å; N252-D255 PolarHBondContact OD1-N 2.82Å; N252-E256 WeakPolarHBondContact O-CG 3.34Å; N252-E256 PolarHBondContact O-N 3.46Å
253	K	96.6	Very high	96.6	Very high	167 Å²	167	54 Å²	54	73%	0.726	27%	0.266	S	S	*	.	H	α-helix	trans	-67	-28.3	-177	-68.2	-175.2	177.9	-178.1	0	112.6	R257	K253-R257 WeakPolarHBondContact O-CB 3.47Å; K253-R257 PolarHBondContact O-N 3.44Å
254	D	97.5	Very high	96.5	Very high	53 Å²	53	56.2 Å²	56.2	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-71.9	-38.3	176.2	-49.9	-99.8	0	0	0	110.6	K213 V214 N252 Y258	K213-D254 HydrophobicContact CB-CB 3.9Å; K213-D254 HydrophobicContact CD-CB 4.25Å; K213-D254 VanDerWaalsContact CD-CG 3.41Å; K213-D254 WeakPolarHBondContact CD-OD1 3.4Å; K213-D254 IonicContact NZ-OD1 2.78Å; V214-D254 HydrophobicContact CG2-CB 4.41Å; N252-D254 VanDerWaalsContact C-N 3.26Å; N252-D254 PolarHBondContact O-N 2.86Å; N252-D254 WeakPolarHBondContact OD1-CA 3.36Å; N252-D254 WeakPolarHBondContact OD1-CB 3.44Å; N252-D254 PolarHBondContact OD1-N 3.15Å; D254-Y258 WeakPolarHBondContact O-CB 3.34Å; D254-Y258 PolarHBondContact O-N 3.08Å
255	D	98.2	Very high	96.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-48.1	172.8	-166	102	0	0	0	112.1	V214 F217 R218 N252 R257 Y258 L259 Y298	V214-D255 WeakPolarHBondContact CG1-OD1 3.44Å; F217-D255 HydrophobicContact CD1-CB 3.83Å; F217-D255 HydrophobicContact CE1-CB 4.43Å; R218-D255 WeakPolarHBondContact CG-OD1 3.4Å; R218-D255 IonicContact CZ-OD1 3.79Å; R218-D255 IonicContact CZ-OD2 2.84Å; R218-D255 IonicContact NE-OD1 3.49Å; R218-D255 PolarHBondContact NE-OD1 3.33Å; R218-D255 IonicContact NE-OD2 3.41Å; R218-D255 IonicContact NH2-OD1 2.71Å; R218-D255 PolarHBondContact NH2-OD1 2.93Å; R218-D255 IonicContact NH2-OD2 3.36Å; R218-D255 PolarHBondContact NH2-OD2 3.22Å; N252-D255 HydrophobicContact CB-CB 4.01Å; N252-D255 PolarHBondContact O-N 3.06Å; N252-D255 PolarHBondContact OD1-N 2.82Å; D255-R257 VanDerWaalsContact C-N 3.31Å; D255-R257 PolarHBondContact O-N 2.92Å; D255-Y258 PolarHBondContact O-N 2.94Å; D255-L259 PolarHBondContact O-N 3.37Å; D255-Y298 PolarHBondContact OD2-OH 3.21Å
256	E	98	Very high	96.4	Very high	30 Å²	30	53.5 Å²	53.5	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-52.9	-49	172.5	-70.5	167	-155.7	0	0	110.9	R251 N252 Y258 D260 Y298	R251-E256 WeakPolarHBondContact CB-OE1 3.46Å; R251-E256 IonicContact CZ-OE1 3.38Å; R251-E256 IonicContact CZ-OE2 3.71Å; R251-E256 IonicContact NE-OE1 2.78Å; R251-E256 PolarHBondContact NE-OE1 3.04Å; R251-E256 IonicContact NE-OE2 3.83Å; R251-E256 VanDerWaalsContact NH2-CD 3.28Å; R251-E256 IonicContact NH2-OE1 3.15Å; R251-E256 PolarHBondContact NH2-OE1 3.26Å; R251-E256 VanDerWaalsContact NH2-OE1 3.15Å; R251-E256 IonicContact NH2-OE2 2.74Å; R251-E256 PolarHBondContact NH2-OE2 2.6Å; N252-E256 WeakPolarHBondContact O-CG 3.34Å; N252-E256 PolarHBondContact O-N 3.46Å; E256-Y258 PolarHBondContact O-N 3.19Å; E256-D260 PolarHBondContact O-N 3.19Å; E256-Y298 HydrophobicContact CB-CE1 4.41Å; E256-Y298 HydrophobicContact CG-CD1 4.16Å; E256-Y298 HydrophobicContact CG-CE1 3.84Å
257	R	97.6	Very high	96.1	Very high	111 Å²	111	59.6 Å²	59.6	42%	0.419	29%	0.293	S	S	.	.	H	α-helix	trans	-66.2	-36.4	176.9	179.8	57.7	-169.8	151.5	3	112.5	K253 D255 D260 L261 E264	K253-R257 WeakPolarHBondContact O-CB 3.47Å; K253-R257 PolarHBondContact O-N 3.44Å; D255-R257 VanDerWaalsContact C-N 3.31Å; D255-R257 PolarHBondContact O-N 2.92Å; R257-D260 CarbonylContact O-C 3.58Å; R257-D260 WeakPolarHBondContact O-CB 3.31Å; R257-D260 PolarHBondContact O-N 3.49Å; R257-L261 VanDerWaalsContact NH2-CD2 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.32Å; R257-L261 PolarHBondContact O-N 3.03Å; R257-E264 IonicContact CZ-OE1 3.35Å; R257-E264 VanDerWaalsContact CZ-OE1 3.28Å; R257-E264 IonicContact NH1-OE1 3.46Å; R257-E264 PolarHBondContact NH1-OE1 2.85Å; R257-E264 IonicContact NH2-OE1 3.63Å; R257-E264 PolarHBondContact NH2-OE1 3.06Å; R257-E264 IonicContact NH2-OE2 3.62Å; R257-E264 PolarHBondContact NH2-OE2 3.41Å
258	Y	98.4	Very high	96	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-69.2	-36.8	-178.9	-175.3	-98.5	0	0	0	112	V202 P203 L211 V214 P224 D254 D255 E256 L261 I262	V202-Y258 WeakPolarHBondContact CG1-OH 3.29Å; P203-Y258 WeakPolarHBondContact CD-OH 3.36Å; P203-Y258 HydrophobicContact CG-CE2 4.2Å; L211-Y258 HydrophobicContact CD2-CD2 4.27Å; L211-Y258 HydrophobicContact CD2-CE2 3.43Å; L211-Y258 VanDerWaalsContact CD2-CE2 3.43Å; V214-Y258 HydrophobicContact CG1-CD1 4.11Å; V214-Y258 HydrophobicContact CG1-CG 4.48Å; V214-Y258 HydrophobicContact CG2-CD1 4.4Å; V214-Y258 HydrophobicContact CG2-CD2 4.4Å; V214-Y258 HydrophobicContact CG2-CG 3.97Å; P224-Y258 HydrophobicContact CB-CD1 4.4Å; P224-Y258 HydrophobicContact CB-CE1 3.87Å; P224-Y258 HydrophobicContact CG-CD1 4.12Å; P224-Y258 HydrophobicContact CG-CE1 3.97Å; P224-Y258 WeakPolarHBondContact O-CE1 3.38Å; P224-Y258 PolarHBondContact O-OH 3.34Å; D254-Y258 WeakPolarHBondContact O-CB 3.34Å; D254-Y258 PolarHBondContact O-N 3.08Å; D255-Y258 PolarHBondContact O-N 2.94Å; E256-Y258 PolarHBondContact O-N 3.19Å; Y258-L261 WeakPolarHBondContact O-CB 3.12Å; Y258-L261 PolarHBondContact O-N 3.4Å; Y258-I262 HydrophobicContact CD1-CD1 3.97Å; Y258-I262 HydrophobicContact CE1-CD1 3.79Å; Y258-I262 WeakPolarHBondContact O-CG1 3.2Å; Y258-I262 PolarHBondContact O-N 3.11Å; Y258-I262 VanDerWaalsContact O-N 3.08Å
259	L	98.4	Very high	95.9	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-38.5	169.5	-64.3	-156.5	0	0	0	112	P224 D255 L261 I262 R263 L272 I274 E294 Y298 L368	P224-L259 HydrophobicContact CB-CD2 4.25Å; P224-L259 HydrophobicContact CG-CD2 3.74Å; D255-L259 PolarHBondContact O-N 3.37Å; L259-L261 VanDerWaalsContact C-N 3.32Å; L259-L261 PolarHBondContact O-N 2.74Å; L259-I262 HydrophobicContact CD2-CD1 3.94Å; L259-I262 WeakPolarHBondContact O-CB 3.48Å; L259-I262 PolarHBondContact O-N 3.12Å; L259-R263 PolarHBondContact O-N 2.98Å; L259-L272 HydrophobicContact CB-CD2 3.95Å; L259-L272 HydrophobicContact CD1-CD2 4.32Å; L259-L272 HydrophobicContact CD2-CD2 4.35Å; L259-L272 HydrophobicContact CG-CD2 4.44Å; L259-I274 HydrophobicContact CD1-CD1 3.82Å; L259-E294 HydrophobicContact CD1-CG 4.22Å; L259-Y298 HydrophobicContact CD1-CD1 3.77Å; L259-Y298 HydrophobicContact CD1-CE1 3.82Å; L259-Y298 HydrophobicContact CG-CD1 4.45Å; L259-Y298 HydrophobicContact CG-CE1 4.34Å; L259-L368 HydrophobicContact CD1-CD1 4.25Å; L259-L368 HydrophobicContact CD2-CD1 3.43Å; L259-L368 VanDerWaalsContact CD2-CD1 3.43Å
260	D	97.3	Very high	95.9	Very high	37 Å²	37	58.5 Å²	58.5	20%	0.198	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-34.7	172	-110.9	-30.3	0	0	0	112.7	E256 R257 I262 R263 E264 N300	E256-D260 PolarHBondContact O-N 3.19Å; R257-D260 CarbonylContact O-C 3.58Å; R257-D260 WeakPolarHBondContact O-CB 3.31Å; R257-D260 PolarHBondContact O-N 3.49Å; D260-I262 VanDerWaalsContact C-N 3.35Å; D260-R263 WeakPolarHBondContact O-CB 3.42Å; D260-R263 PolarHBondContact O-N 2.8Å; D260-R263 IonicContact OD1-CZ 3.82Å; D260-R263 IonicContact OD1-NE 3.95Å; D260-R263 PolarHBondContact OD1-NE 2.79Å; D260-R263 IonicContact OD1-NH2 2.78Å; D260-R263 PolarHBondContact OD1-NH2 2.93Å; D260-E264 WeakPolarHBondContact O-CB 3.12Å; D260-E264 WeakPolarHBondContact O-CG 3.48Å; D260-E264 PolarHBondContact O-N 2.75Å; D260-N300 WeakPolarHBondContact OD1-CB 3.25Å; D260-N300 PolarHBondContact OD1-ND2 3.26Å; D260-N300 PolarHBondContact OD2-ND2 3.27Å; D260-N300 VanDerWaalsContact OD2-ND2 3.09Å
261	L	98	Very high	96	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-34.6	173.4	-73	-177.7	0	0	0	112.7	P203 K205 R257 Y258 L259 A265	P203-L261 HydrophobicContact CB-CB 3.97Å; P203-L261 HydrophobicContact CG-CB 4.23Å; K205-L261 HydrophobicContact CB-CD1 4.26Å; K205-L261 HydrophobicContact CB-CD2 3.78Å; K205-L261 HydrophobicContact CD-CD2 3.75Å; K205-L261 HydrophobicContact CG-CD2 4.39Å; R257-L261 VanDerWaalsContact NH2-CD2 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.32Å; R257-L261 PolarHBondContact O-N 3.03Å; Y258-L261 WeakPolarHBondContact O-CB 3.12Å; Y258-L261 PolarHBondContact O-N 3.4Å; L259-L261 VanDerWaalsContact C-N 3.32Å; L259-L261 PolarHBondContact O-N 2.74Å; L261-A265 PolarHBondContact O-N 2.97Å; L261-A265 VanDerWaalsContact O-N 3.16Å
262	I	98.4	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-43.5	172.4	-68.7	161.3	0	0	0	110	W181 P203 P224 V236 V238 Y258 L259 D260 A265 L272	W181-I262 HydrophobicContact CH2-CB 4.48Å; W181-I262 HydrophobicContact CH2-CG1 4.05Å; W181-I262 HydrophobicContact CH2-CG2 4.17Å; W181-I262 HydrophobicContact CZ2-CG2 4.43Å; P203-I262 HydrophobicContact CG-CG1 3.54Å; P224-I262 HydrophobicContact CB-CD1 3.77Å; V236-I262 HydrophobicContact CG2-CG2 4.31Å; V238-I262 HydrophobicContact CG1-CD1 4.06Å; V238-I262 HydrophobicContact CG2-CG2 3.79Å; Y258-I262 HydrophobicContact CD1-CD1 3.97Å; Y258-I262 HydrophobicContact CE1-CD1 3.79Å; Y258-I262 WeakPolarHBondContact O-CG1 3.2Å; Y258-I262 PolarHBondContact O-N 3.11Å; Y258-I262 VanDerWaalsContact O-N 3.08Å; L259-I262 HydrophobicContact CD2-CD1 3.94Å; L259-I262 WeakPolarHBondContact O-CB 3.48Å; L259-I262 PolarHBondContact O-N 3.12Å; D260-I262 VanDerWaalsContact C-N 3.35Å; I262-A265 WeakPolarHBondContact O-CB 3.48Å; I262-A265 PolarHBondContact O-N 3.3Å; I262-L272 HydrophobicContact CG2-CD1 3.96Å; I262-L272 HydrophobicContact CG2-CD2 4.35Å
263	R	97.8	Very high	96.2	Very high	47 Å²	47	48.9 Å²	48.9	18%	0.177	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-47.8	176.5	-168.2	-167.2	57.1	66.7	4.1	112	L259 D260 A265 N266 T269 L272 N300	L259-R263 PolarHBondContact O-N 2.98Å; D260-R263 WeakPolarHBondContact O-CB 3.42Å; D260-R263 PolarHBondContact O-N 2.8Å; D260-R263 IonicContact OD1-CZ 3.82Å; D260-R263 IonicContact OD1-NE 3.95Å; D260-R263 PolarHBondContact OD1-NE 2.79Å; D260-R263 IonicContact OD1-NH2 2.78Å; D260-R263 PolarHBondContact OD1-NH2 2.93Å; R263-A265 PolarHBondContact O-N 3.39Å; R263-N266 PolarHBondContact O-N 3.19Å; R263-N266 VanDerWaalsContact O-O 3.06Å; R263-T269 HydrophobicContact CG-CG2 3.89Å; R263-T269 WeakPolarHBondContact CG-O 3.49Å; R263-L272 HydrophobicContact CB-CB 4.23Å; R263-L272 HydrophobicContact CG-CB 4.31Å; R263-N300 WeakPolarHBondContact CD-O 3.39Å
264	E	96.9	Very high	96.3	Very high	48 Å²	48	41 Å²	41	22%	0.224	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.3	174	-75.3	177.4	-153.8	0	0	113.9	K180 K205 R257 D260 N266	K180-E264 PolarHBondContact NZ-O 3.27Å; K205-E264 IonicContact NZ-OE2 3.84Å; K205-E264 PolarHBondContact NZ-OE2 3.43Å; R257-E264 IonicContact CZ-OE1 3.35Å; R257-E264 VanDerWaalsContact CZ-OE1 3.28Å; R257-E264 IonicContact NH1-OE1 3.46Å; R257-E264 PolarHBondContact NH1-OE1 2.85Å; R257-E264 IonicContact NH2-OE1 3.63Å; R257-E264 PolarHBondContact NH2-OE1 3.06Å; R257-E264 IonicContact NH2-OE2 3.62Å; R257-E264 PolarHBondContact NH2-OE2 3.41Å; D260-E264 WeakPolarHBondContact O-CB 3.12Å; D260-E264 WeakPolarHBondContact O-CG 3.48Å; D260-E264 PolarHBondContact O-N 2.75Å; E264-N266 PolarHBondContact O-N 2.9Å
265	A	96.4	Very high	96.4	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.4	177	0	0	0	0	0	112.3	K180 W181 L261 I262 R263	K180-A265 HydrophobicContact CB-CB 4.26Å; K180-A265 WeakPolarHBondContact CD-O 3.2Å; K180-A265 WeakPolarHBondContact CE-O 3.11Å; K180-A265 WeakPolarHBondContact CG-O 3.44Å; W181-A265 HydrophobicContact CZ2-CB 3.7Å; L261-A265 PolarHBondContact O-N 2.97Å; L261-A265 VanDerWaalsContact O-N 3.16Å; I262-A265 WeakPolarHBondContact O-CB 3.48Å; I262-A265 PolarHBondContact O-N 3.3Å; R263-A265 PolarHBondContact O-N 3.39Å
266	N	95.1	Very high	96.4	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	18%	0.184	C	C	.	.	S	Bend	trans	-125.4	115.7	173.2	178.9	7	0	0	0	111.2	N233 A235 R263 E264 T268 T269 G364 S366	N233-N266 PolarHBondContact O-ND2 3.33Å; N233-N266 PolarHBondContact O-OD1 3.14Å; A235-N266 WeakPolarHBondContact CA-ND2 3.4Å; A235-N266 PolarHBondContact N-ND2 2.87Å; R263-N266 PolarHBondContact O-N 3.19Å; R263-N266 VanDerWaalsContact O-O 3.06Å; E264-N266 PolarHBondContact O-N 2.9Å; N266-T268 VanDerWaalsContact CG-OG1 3.31Å; N266-T268 PolarHBondContact ND2-OG1 3.29Å; N266-T268 PolarHBondContact O-N 2.87Å; N266-T268 PolarHBondContact OD1-N 2.91Å; N266-T268 VanDerWaalsContact OD1-N 3.16Å; N266-T268 PolarHBondContact OD1-OG1 3.47Å; N266-T269 PolarHBondContact ND2-OG1 2.92Å; N266-T269 PolarHBondContact O-N 3.23Å; N266-G364 PolarHBondContact ND2-O 3.44Å; N266-S366 WeakPolarHBondContact CB-OG 3.34Å
267	D	90.1	Very high	96.5	Very high	137 Å²	137	37.7 Å²	37.7	73%	0.733	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.5	-173.4	-57.6	-51.8	0	0	0	114.1	K180	K180-D267 WeakPolarHBondContact CE-OD2 3.34Å; K180-D267 IonicContact NZ-OD1 2.78Å; K180-D267 PolarHBondContact NZ-OD1 3.22Å; K180-D267 IonicContact NZ-OD2 3.35Å; K180-D267 PolarHBondContact NZ-OD2 3Å
268	T	90.1	Very high	96.5	Very high	81 Å²	81	32.4 Å²	32.4	50%	0.497	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-19.4	172	59.2	0	0	0	0	113.5	N266 K270 G364	N266-T268 VanDerWaalsContact CG-OG1 3.31Å; N266-T268 PolarHBondContact ND2-OG1 3.29Å; N266-T268 PolarHBondContact O-N 2.87Å; N266-T268 PolarHBondContact OD1-N 2.91Å; N266-T268 VanDerWaalsContact OD1-N 3.16Å; N266-T268 PolarHBondContact OD1-OG1 3.47Å; T268-K270 PolarHBondContact O-N 2.86Å; T268-K270 VanDerWaalsContact O-N 3.11Å; T268-G364 PolarHBondContact OG1-O 2.96Å
269	T	90.9	Very high	96.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	16%	0.159	C	C	.	.			trans	-80.5	96.2	-171.9	-59.1	0	0	0	0	111.1	R263 N266 K271 S366	R263-T269 HydrophobicContact CG-CG2 3.89Å; R263-T269 WeakPolarHBondContact CG-O 3.49Å; N266-T269 PolarHBondContact ND2-OG1 2.92Å; N266-T269 PolarHBondContact O-N 3.23Å; T269-K271 WeakPolarHBondContact CG2-O 3.16Å; T269-S366 PolarHBondContact OG1-N 3.33Å; T269-S366 PolarHBondContact OG1-OG 3.15Å; T269-S366 VanDerWaalsContact OG1-OG 3.11Å
270	K	92.3	Very high	96.5	Very high	182 Å²	182	35.8 Å²	35.8	79%	0.791	18%	0.176	S	C	*	.	S	Bend	trans	-68.9	-40.3	178.3	-64.3	-175.4	-176.6	178.4	0	113	T268	T268-K270 PolarHBondContact O-N 2.86Å; T268-K270 VanDerWaalsContact O-N 3.11Å
271	K	95.8	Very high	96.5	Very high	97 Å²	97	38.9 Å²	38.9	42%	0.422	20%	0.196	S	C	.	.	S	Bend	trans	-133	143.6	172.2	-74	-168	166.4	-152.6	0	109.8	T269 N300 A301	T269-K271 WeakPolarHBondContact CG2-O 3.16Å; K271-N300 CarbonylContact C-O 3.4Å; K271-N300 WeakPolarHBondContact CA-O 3.32Å; K271-A301 PolarHBondContact NZ-O 3.2Å
272	L	98.2	Very high	96.5	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.7	172.6	-179.7	67.1	0	0	0	109.5	L259 I262 R263 N300 A301 E302 L368	L259-L272 HydrophobicContact CB-CD2 3.95Å; L259-L272 HydrophobicContact CD1-CD2 4.32Å; L259-L272 HydrophobicContact CD2-CD2 4.35Å; L259-L272 HydrophobicContact CG-CD2 4.44Å; I262-L272 HydrophobicContact CG2-CD1 3.96Å; I262-L272 HydrophobicContact CG2-CD2 4.35Å; R263-L272 HydrophobicContact CB-CB 4.23Å; R263-L272 HydrophobicContact CG-CB 4.31Å; L272-N300 PolarHBondContact N-O 3.43Å; L272-A301 CarbonylContact O-C 3.42Å; L272-A301 WeakPolarHBondContact O-CA 3.26Å; L272-A301 WeakPolarHBondContact O-CB 3.49Å; L272-E302 PolarHBondContact O-N 2.78Å; L272-L368 HydrophobicContact CD2-CB 4.32Å; L272-L368 HydrophobicContact CG-CB 4.49Å
273	T	98.5	Very high	96.4	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.6	177.5	-50.5	0	0	0	0	110	Y275 E302 V304 K360 S366 V367 L368	T273-Y275 HydrophobicContact CG2-CD2 4.1Å; T273-Y275 HydrophobicContact CG2-CE1 4.31Å; T273-Y275 HydrophobicContact CG2-CE2 3.51Å; T273-E302 HydrophobicContact CG2-CG 3.99Å; T273-E302 PolarHBondContact OG1-OE1 2.86Å; T273-V304 HydrophobicContact CG2-CG2 4.33Å; T273-K360 HydrophobicContact CG2-CG 4.47Å; T273-K360 WeakPolarHBondContact OG1-CE 3.3Å; T273-S366 PolarHBondContact N-O 3.09Å; T273-V367 CarbonylContact O-C 3.6Å; T273-V367 VanDerWaalsContact O-CA 3.26Å; T273-V367 WeakPolarHBondContact O-CA 3.47Å; T273-L368 PolarHBondContact O-N 3.29Å
274	I	98.9	Very high	96.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.7	179.9	-55.9	-177.2	0	0	0	107.6	L259 E294 A301 E302 L303 V304 L368	L259-I274 HydrophobicContact CD1-CD1 3.82Å; I274-E294 HydrophobicContact CD1-CB 3.75Å; I274-E294 HydrophobicContact CD1-CG 3.66Å; I274-A301 HydrophobicContact CD1-CB 3.78Å; I274-A301 HydrophobicContact CG1-CB 4.22Å; I274-E302 PolarHBondContact N-O 2.77Å; I274-L303 HydrophobicContact CB-CD1 3.9Å; I274-L303 HydrophobicContact CG2-CD1 3.55Å; I274-L303 CarbonylContact O-C 3.3Å; I274-L303 WeakPolarHBondContact O-CA 3.11Å; I274-V304 PolarHBondContact O-N 3.06Å; I274-L368 CarbonylContact C-O 3.54Å; I274-L368 WeakPolarHBondContact CA-O 3.49Å; I274-L368 HydrophobicContact CG1-CB 4.39Å; I274-L368 HydrophobicContact CG2-CD2 3.95Å
275	Y	98.9	Very high	96.3	Very high	13 Å²	13	41.3 Å²	41.3	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	103.7	172.8	-69.9	-76.7	0	0	0	109.5	T273 V304 L306 Q356 V357 K360 V367 L368 V369 H370	T273-Y275 HydrophobicContact CG2-CD2 4.1Å; T273-Y275 HydrophobicContact CG2-CE1 4.31Å; T273-Y275 HydrophobicContact CG2-CE2 3.51Å; Y275-V304 WeakPolarHBondContact CA-O 3.38Å; Y275-V304 HydrophobicContact CD1-CB 3.81Å; Y275-V304 HydrophobicContact CD1-CG1 4.01Å; Y275-V304 HydrophobicContact CE1-CB 3.94Å; Y275-V304 HydrophobicContact CE1-CG1 3.97Å; Y275-V304 HydrophobicContact CE1-CG2 4.24Å; Y275-L306 HydrophobicContact CD1-CD1 4.11Å; Y275-L306 HydrophobicContact CD1-CD2 3.81Å; Y275-L306 HydrophobicContact CD1-CG 4.11Å; Y275-L306 HydrophobicContact CE1-CD2 4.3Å; Y275-L306 HydrophobicContact CG-CD1 4.39Å; Y275-Q356 HydrophobicContact CE1-CB 3.89Å; Y275-Q356 PolarHBondContact OH-O 2.81Å; Y275-V357 HydrophobicContact CD2-CG2 3.74Å; Y275-V357 HydrophobicContact CE2-CG2 4.13Å; Y275-V357 HydrophobicContact CG-CG2 4.02Å; Y275-K360 HydrophobicContact CE2-CB 4.48Å; Y275-V367 HydrophobicContact CD2-CB 4.19Å; Y275-V367 HydrophobicContact CD2-CG1 4.43Å; Y275-V367 HydrophobicContact CE2-CB 4.17Å; Y275-V367 HydrophobicContact CE2-CG1 3.91Å; Y275-L368 PolarHBondContact N-O 3.43Å; Y275-V369 WeakPolarHBondContact O-CA 3.46Å; Y275-H370 PolarHBondContact O-N 3.05Å
276	D	98.9	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.3	165.5	-173	-13.9	0	0	0	108.4	R278 L303 V304 F305 L306 H370	D276-R278 VanDerWaalsContact CG-NE 3.33Å; D276-R278 PolarHBondContact O-N 2.98Å; D276-R278 VanDerWaalsContact OD1-CB 3.29Å; D276-R278 WeakPolarHBondContact OD1-CB 3.49Å; D276-R278 WeakPolarHBondContact OD1-CG 3.49Å; D276-R278 IonicContact OD1-CZ 2.74Å; D276-R278 PolarHBondContact OD1-N 3.17Å; D276-R278 IonicContact OD1-NE 2.75Å; D276-R278 PolarHBondContact OD1-NE 3.42Å; D276-R278 IonicContact OD1-NH2 3.9Å; D276-R278 IonicContact OD2-CZ 3.12Å; D276-R278 IonicContact OD2-NE 2.88Å; D276-R278 PolarHBondContact OD2-NE 2.98Å; D276-R278 IonicContact OD2-NH2 2.66Å; D276-R278 PolarHBondContact OD2-NH2 2.82Å; D276-L303 HydrophobicContact CB-CD1 4.06Å; D276-V304 PolarHBondContact N-O 3.4Å; D276-F305 HydrophobicContact CB-CD1 3.83Å; D276-F305 HydrophobicContact CB-CE1 3.96Å; D276-F305 WeakPolarHBondContact O-CA 3.35Å; D276-F305 WeakPolarHBondContact OD2-CE1 3.4Å; D276-L306 PolarHBondContact O-N 2.92Å; D276-H370 VanDerWaalsContact CG-CE1 3.48Å; D276-H370 IonicContact OD1-CE1 3.23Å; D276-H370 IonicContact OD2-CE1 2.81Å; D276-H370 PolarHBondContact OD2-CE1 2.98Å
277	A	98.8	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.			trans	-63	-15.1	-179	0	0	0	0	0	113.8	I308 H370 C371 R377 L381	A277-I308 HydrophobicContact CB-CD1 4.41Å; A277-I308 WeakPolarHBondContact O-CA 3.4Å; A277-I308 WeakPolarHBondContact O-CB 3.42Å; A277-I308 PolarHBondContact O-N 3.06Å; A277-H370 WeakPolarHBondContact CB-O 3.33Å; A277-H370 PolarHBondContact N-O 2.88Å; A277-C371 HydrophobicContact CB-CB 3.86Å; A277-R377 HydrophobicContact CB-CB 3.52Å; A277-R377 HydrophobicContact CB-CG 4.38Å; A277-L381 HydrophobicContact CB-CD1 3.57Å
278	R	98.8	Very high	96.6	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	23%	0.229	C	C	.	.	S	Bend	trans	-79.6	157.7	-174.6	-62.1	176.1	-66.2	-172.6	6	112.2	D276 N282 A283 N286 G292 F305 D307 C371 S372	D276-R278 VanDerWaalsContact CG-NE 3.33Å; D276-R278 PolarHBondContact O-N 2.98Å; D276-R278 VanDerWaalsContact OD1-CB 3.29Å; D276-R278 WeakPolarHBondContact OD1-CB 3.49Å; D276-R278 WeakPolarHBondContact OD1-CG 3.49Å; D276-R278 IonicContact OD1-CZ 2.74Å; D276-R278 PolarHBondContact OD1-N 3.17Å; D276-R278 IonicContact OD1-NE 2.75Å; D276-R278 PolarHBondContact OD1-NE 3.42Å; D276-R278 IonicContact OD1-NH2 3.9Å; D276-R278 IonicContact OD2-CZ 3.12Å; D276-R278 IonicContact OD2-NE 2.88Å; D276-R278 PolarHBondContact OD2-NE 2.98Å; D276-R278 IonicContact OD2-NH2 2.66Å; D276-R278 PolarHBondContact OD2-NH2 2.82Å; R278-N282 HydrophobicContact CB-CB 4.39Å; R278-A283 HydrophobicContact CB-CB 4.48Å; R278-N286 VanDerWaalsContact NH1-CB 3.3Å; R278-N286 VanDerWaalsContact NH1-CG 3.28Å; R278-N286 PolarHBondContact NH1-OD1 3.31Å; R278-G292 PolarHBondContact NH2-O 2.94Å; R278-F305 WeakPolarHBondContact O-CB 3.47Å; R278-F305 WeakPolarHBondContact O-CD1 3.48Å; R278-D307 PolarHBondContact O-N 3.23Å; R278-C371 HydrophobicContact CG-CB 4.3Å; R278-S372 WeakPolarHBondContact CD-OG 3.37Å; R278-S372 PolarHBondContact NH1-OG 2.87Å
279	P	98.4	Very high	96.8	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.026	24%	0.24	C	C	.	.			trans	-61.2	144.6	154	-15.3	25.6	0	0	0	111.5	V281 N282 A283 D307 I308	P279-V281 VanDerWaalsContact C-N 3.28Å; P279-V281 HydrophobicContact CB-CG2 4.05Å; P279-V281 PolarHBondContact O-N 3.24Å; P279-N282 WeakPolarHBondContact O-CB 3.31Å; P279-N282 PolarHBondContact O-N 2.96Å; P279-A283 PolarHBondContact O-N 3.05Å; P279-D307 WeakPolarHBondContact CA-OD1 3.48Å; P279-D307 WeakPolarHBondContact CB-OD1 3.41Å; P279-I308 WeakPolarHBondContact CD-O 3.33Å
280	N	97.8	Very high	97	Very high	73 Å²	73	44.8 Å²	44.8	39%	0.39	26%	0.256	S	S	.	.	H	α-helix	trans	-50.9	-47.3	178.1	-179.5	-58	0	0	0	111.7	N282 A283 V284 F305	N280-N282 PolarHBondContact O-N 3.18Å; N280-A283 CarbonylContact O-C 3.2Å; N280-A283 WeakPolarHBondContact O-CA 3.04Å; N280-A283 WeakPolarHBondContact O-CB 3.36Å; N280-A283 PolarHBondContact O-N 3.14Å; N280-V284 WeakPolarHBondContact O-CG2 3.4Å; N280-V284 PolarHBondContact O-N 2.78Å; N280-V284 WeakPolarHBondContact OD1-CG2 3.37Å; N280-F305 HydrophobicContact CB-CD1 4.41Å; N280-F305 HydrophobicContact CB-CD2 3.88Å; N280-F305 HydrophobicContact CB-CE2 4.11Å; N280-F305 HydrophobicContact CB-CG 4.03Å; N280-F305 HydrophobicContact CB-CZ 4.47Å; N280-F305 VanDerWaalsContact ND2-CE2 3.26Å; N280-F305 WeakPolarHBondContact ND2-CE2 3.18Å
281	V	97.4	Very high	97.2	Very high	102 Å²	102	36.3 Å²	36.3	62%	0.618	22%	0.22	S	C	*	.	H	α-helix	trans	-56.5	-36.4	178	-64	0	0	0	0	113.2	P279 A285	P279-V281 VanDerWaalsContact C-N 3.28Å; P279-V281 HydrophobicContact CB-CG2 4.05Å; P279-V281 PolarHBondContact O-N 3.24Å; V281-A285 WeakPolarHBondContact O-CB 3.15Å; V281-A285 PolarHBondContact O-N 3.35Å
282	N	97.5	Very high	97.2	Very high	37 Å²	37	31.7 Å²	31.7	20%	0.198	20%	0.2	C	C	.	.	H	α-helix	trans	-75.2	-34.3	177.1	-70.4	-8.2	0	0	0	111.1	R278 P279 N280 A285 N286 Q309	R278-N282 HydrophobicContact CB-CB 4.39Å; P279-N282 WeakPolarHBondContact O-CB 3.31Å; P279-N282 PolarHBondContact O-N 2.96Å; N280-N282 PolarHBondContact O-N 3.18Å; N282-A285 PolarHBondContact O-N 3.42Å; N282-N286 PolarHBondContact O-N 3.29Å; N282-N286 PolarHBondContact O-ND2 2.92Å; N282-Q309 PolarHBondContact ND2-OE1 3.25Å; N282-Q309 VanDerWaalsContact ND2-OE1 3.16Å
283	A	96.8	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-40.6	174.5	0	0	0	0	0	112	R278 P279 N280 N286 K287 Y293 F305	R278-A283 HydrophobicContact CB-CB 4.48Å; P279-A283 PolarHBondContact O-N 3.05Å; N280-A283 CarbonylContact O-C 3.2Å; N280-A283 WeakPolarHBondContact O-CA 3.04Å; N280-A283 WeakPolarHBondContact O-CB 3.36Å; N280-A283 PolarHBondContact O-N 3.14Å; A283-N286 PolarHBondContact O-N 2.89Å; A283-K287 PolarHBondContact O-N 3.23Å; A283-Y293 HydrophobicContact CB-CD1 3.83Å; A283-Y293 HydrophobicContact CB-CE1 4.42Å; A283-F305 HydrophobicContact CB-CD1 4.26Å; A283-F305 HydrophobicContact CB-CE1 3.46Å; A283-F305 VanDerWaalsContact CB-CE1 3.46Å; A283-F305 HydrophobicContact CB-CZ 4.17Å
284	V	96.9	Very high	97.2	Very high	67 Å²	67	34.3 Å²	34.3	41%	0.406	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-43.8	171.5	174	0	0	0	0	111.2	N280 N286 K287 A288 Y293	N280-V284 WeakPolarHBondContact O-CG2 3.4Å; N280-V284 PolarHBondContact O-N 2.78Å; N280-V284 WeakPolarHBondContact OD1-CG2 3.37Å; V284-N286 VanDerWaalsContact C-N 3.29Å; V284-N286 PolarHBondContact O-N 2.77Å; V284-K287 WeakPolarHBondContact O-CA 3.4Å; V284-K287 VanDerWaalsContact O-CB 3.31Å; V284-K287 WeakPolarHBondContact O-CB 3.05Å; V284-K287 PolarHBondContact O-N 3.44Å; V284-A288 PolarHBondContact O-N 3.09Å; V284-A288 VanDerWaalsContact O-N 3.1Å; V284-Y293 HydrophobicContact CG2-CE1 4.11Å
285	A	96.4	Very high	96.8	Very high	55 Å²	55	35.3 Å²	35.3	46%	0.455	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-35.9	174.3	0	0	0	0	0	112.8	V281 N282 A288 T289	V281-A285 WeakPolarHBondContact O-CB 3.15Å; V281-A285 PolarHBondContact O-N 3.35Å; N282-A285 PolarHBondContact O-N 3.42Å; A285-A288 WeakPolarHBondContact O-CB 3.41Å; A285-A288 PolarHBondContact O-N 3.46Å; A285-T289 PolarHBondContact O-N 3.33Å
286	N	96.4	Very high	96.3	Very high	36 Å²	36	42.2 Å²	42.2	19%	0.193	26%	0.259	C	S	.	.	H	α-helix	trans	-69.2	-33	172.4	-82.4	-110.8	0	0	0	112.3	Q242 R278 N282 A283 V284 A288 T289 G290 G291 S372	Q242-N286 PolarHBondContact NE2-OD1 2.71Å; Q242-N286 VanDerWaalsContact NE2-OD1 3.09Å; Q242-N286 VanDerWaalsContact OE1-CB 3.32Å; R278-N286 VanDerWaalsContact NH1-CB 3.3Å; R278-N286 VanDerWaalsContact NH1-CG 3.28Å; R278-N286 PolarHBondContact NH1-OD1 3.31Å; N282-N286 PolarHBondContact O-N 3.29Å; N282-N286 PolarHBondContact O-ND2 2.92Å; A283-N286 PolarHBondContact O-N 2.89Å; V284-N286 VanDerWaalsContact C-N 3.29Å; V284-N286 PolarHBondContact O-N 2.77Å; N286-A288 VanDerWaalsContact C-N 3.26Å; N286-A288 PolarHBondContact O-N 2.75Å; N286-T289 PolarHBondContact O-N 2.93Å; N286-T289 VanDerWaalsContact O-N 3.16Å; N286-T289 PolarHBondContact O-OG1 3.41Å; N286-G290 PolarHBondContact O-N 2.83Å; N286-G291 CarbonylContact O-C 3.6Å; N286-G291 VanDerWaalsContact O-CA 3.3Å; N286-G291 WeakPolarHBondContact O-CA 3.45Å; N286-G291 PolarHBondContact O-N 3.38Å; N286-S372 PolarHBondContact ND2-OG 2.83Å; N286-S372 PolarHBondContact OD1-OG 2.87Å
287	K	96	Very high	95.9	Very high	63 Å²	63	46 Å²	46	27%	0.274	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-35.9	172.3	-167.2	173.4	179.3	172.2	0	111.4	G246 M247 A283 V284 T289 G290 Y293	G246-K287 CarbonylContact C-O 3.54Å; G246-K287 VanDerWaalsContact CA-O 3.25Å; G246-K287 WeakPolarHBondContact CA-O 3.44Å; G246-K287 WeakPolarHBondContact O-CE 3.2Å; G246-K287 VanDerWaalsContact O-CG 3.31Å; G246-K287 WeakPolarHBondContact O-CG 3.49Å; M247-K287 PolarHBondContact N-O 3.31Å; M247-K287 VanDerWaalsContact N-O 3.12Å; A283-K287 PolarHBondContact O-N 3.23Å; V284-K287 WeakPolarHBondContact O-CA 3.4Å; V284-K287 VanDerWaalsContact O-CB 3.31Å; V284-K287 WeakPolarHBondContact O-CB 3.05Å; V284-K287 PolarHBondContact O-N 3.44Å; K287-T289 VanDerWaalsContact C-N 3.29Å; K287-T289 PolarHBondContact O-N 2.84Å; K287-G290 PolarHBondContact O-N 3.14Å; K287-Y293 HydrophobicContact CD-CE1 4.43Å
288	A	95.4	Very high	95.7	Very high	54 Å²	54	47.1 Å²	47.1	45%	0.446	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-32.4	174.1	0	0	0	0	0	113.4	M247 V284 A285 N286	M247-A288 HydrophobicContact CG-CB 4.48Å; M247-A288 HydrophobicContact SD-CB 4.33Å; V284-A288 PolarHBondContact O-N 3.09Å; V284-A288 VanDerWaalsContact O-N 3.1Å; A285-A288 WeakPolarHBondContact O-CB 3.41Å; A285-A288 PolarHBondContact O-N 3.46Å; N286-A288 VanDerWaalsContact C-N 3.26Å; N286-A288 PolarHBondContact O-N 2.75Å
289	T	94.5	Very high	95.3	Very high	119 Å²	119	53.5 Å²	53.5	73%	0.73	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	12.9	-178.4	58.8	0	0	0	0	114.6	A285 N286 K287	A285-T289 PolarHBondContact O-N 3.33Å; N286-T289 PolarHBondContact O-N 2.93Å; N286-T289 VanDerWaalsContact O-N 3.16Å; N286-T289 PolarHBondContact O-OG1 3.41Å; K287-T289 VanDerWaalsContact C-N 3.29Å; K287-T289 PolarHBondContact O-N 2.84Å
290	G	93.6	Very high	95.2	Very high	33 Å²	33	56.3 Å²	56.3	34%	0.34	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	-6.8	175.3	0	0	0	0	0	115.6	L244 N286 K287	L244-G290 CarbonylContact C-O 3.47Å; L244-G290 VanDerWaalsContact CA-O 3.32Å; L244-G290 WeakPolarHBondContact CA-O 3.34Å; N286-G290 PolarHBondContact O-N 2.83Å; K287-G290 PolarHBondContact O-N 3.14Å
291	G	97.1	Very high	95.2	Very high	4 Å²	4	53.5 Å²	53.5	4%	0.041	32%	0.316	C	S	.	.			trans	-80.5	-145	165.9	0	0	0	0	0	111.7	P243 V245 G246 N286	P243-G291 CarbonylContact O-C 3.43Å; V245-G291 PolarHBondContact N-O 2.58Å; G246-G291 PolarHBondContact N-O 3.03Å; N286-G291 CarbonylContact O-C 3.6Å; N286-G291 VanDerWaalsContact O-CA 3.3Å; N286-G291 WeakPolarHBondContact O-CA 3.45Å; N286-G291 PolarHBondContact O-N 3.38Å
292	G	96.4	Very high	95.2	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.303	C	S	.	.			trans	149.1	-153.9	176.7	0	0	0	0	0	112.9	Q242 P243 R278	Q242-G292 WeakPolarHBondContact CB-O 3.37Å; Q242-G292 PolarHBondContact OE1-O 2.82Å; P243-G292 PolarHBondContact O-N 2.8Å; R278-G292 PolarHBondContact NH2-O 2.94Å
293	Y	98	Very high	95.2	Very high	51 Å²	51	52.7 Å²	52.7	20%	0.2	31%	0.306	C	S	.	.			trans	-153.9	162.7	179.7	56.9	-94.6	0	0	0	108.8	A283 V284 K287 G295 L303 F305	A283-Y293 HydrophobicContact CB-CD1 3.83Å; A283-Y293 HydrophobicContact CB-CE1 4.42Å; V284-Y293 HydrophobicContact CG2-CE1 4.11Å; K287-Y293 HydrophobicContact CD-CE1 4.43Å; Y293-G295 PolarHBondContact O-N 3Å; Y293-L303 HydrophobicContact CD2-CD2 3.38Å; Y293-L303 HydrophobicContact CE2-CD2 4.17Å; Y293-L303 HydrophobicContact CG-CD2 3.93Å; Y293-F305 HydrophobicContact CD1-CZ 4.23Å; Y293-F305 HydrophobicContact CD2-CZ 4.2Å; Y293-F305 HydrophobicContact CE1-CZ 4.47Å; Y293-F305 HydrophobicContact CE2-CZ 4.44Å; Y293-F305 HydrophobicContact CG-CZ 4.08Å
294	E	97.4	Very high	95.3	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.033	32%	0.319	C	S	.	.			trans	-67.6	113.6	179.7	-69.9	86.7	155.5	0	0	111	R218 P243 L259 I274 Y298 L303 H370	R218-E294 IonicContact CZ-OE1 2.75Å; R218-E294 IonicContact NH1-OE1 2.65Å; R218-E294 PolarHBondContact NH1-OE1 2.83Å; R218-E294 IonicContact NH2-OE1 3.26Å; R218-E294 PolarHBondContact NH2-OE1 3.43Å; P243-E294 WeakPolarHBondContact CD-OE2 3.45Å; P243-E294 HydrophobicContact CG-CG 4.39Å; L259-E294 HydrophobicContact CD1-CG 4.22Å; I274-E294 HydrophobicContact CD1-CB 3.75Å; I274-E294 HydrophobicContact CD1-CG 3.66Å; E294-Y298 HydrophobicContact CB-CD1 4.42Å; E294-Y298 HydrophobicContact CB-CD2 3.61Å; E294-Y298 HydrophobicContact CB-CE2 3.83Å; E294-Y298 HydrophobicContact CB-CG 3.94Å; E294-Y298 HydrophobicContact CG-CD1 4.08Å; E294-Y298 HydrophobicContact CG-CD2 3.96Å; E294-Y298 HydrophobicContact CG-CE1 3.88Å; E294-Y298 HydrophobicContact CG-CE2 3.78Å; E294-Y298 HydrophobicContact CG-CG 4.11Å; E294-L303 WeakPolarHBondContact O-CD2 3.34Å; E294-H370 IonicContact OE2-CE1 3.92Å; E294-H370 IonicContact OE2-NE2 3.17Å; E294-H370 PolarHBondContact OE2-NE2 2.82Å
295	G	91.4	Very high	95.4	Very high	23 Å²	23	53.8 Å²	53.8	24%	0.237	31%	0.309	C	S	.	.			trans	-90.4	-168.3	179.3	0	0	0	0	0	113.9	Y293 E297 Y298	Y293-G295 PolarHBondContact O-N 3Å; G295-E297 VanDerWaalsContact C-OE2 3.27Å; G295-E297 VanDerWaalsContact CA-OE2 3.3Å; G295-E297 WeakPolarHBondContact CA-OE2 3.47Å; G295-E297 PolarHBondContact O-N 2.93Å; G295-Y298 WeakPolarHBondContact O-CD2 3.28Å; G295-Y298 PolarHBondContact O-N 2.72Å
296	D	89.3	Confident	95.5	Very high	157 Å²	157	51.6 Å²	51.6	84%	0.84	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.1	-179.7	-61.3	-34.4	0	0	0	113.5	Y298	D296-Y298 PolarHBondContact O-N 2.74Å
297	E	89.9	Confident	95.6	Very high	81 Å²	81	53.8 Å²	53.8	38%	0.379	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.8	173.9	-58.6	86	177.6	0	0	113.3	R251 G295 L299	R251-E297 HydrophobicContact CG-CG 4.29Å; G295-E297 VanDerWaalsContact C-OE2 3.27Å; G295-E297 VanDerWaalsContact CA-OE2 3.3Å; G295-E297 WeakPolarHBondContact CA-OE2 3.47Å; G295-E297 PolarHBondContact O-N 2.93Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 2.79Å
298	Y	93.9	Very high	95.7	Very high	22 Å²	22	50.9 Å²	50.9	9%	0.086	29%	0.289	C	S	.	.			trans	-85	67.8	175.8	-64.9	-98.8	0	0	0	109.9	F217 D255 E256 L259 E294 G295 D296 N300 A301	F217-Y298 WeakPolarHBondContact CE1-OH 3.45Å; D255-Y298 PolarHBondContact OD2-OH 3.21Å; E256-Y298 HydrophobicContact CB-CE1 4.41Å; E256-Y298 HydrophobicContact CG-CD1 4.16Å; E256-Y298 HydrophobicContact CG-CE1 3.84Å; L259-Y298 HydrophobicContact CD1-CD1 3.77Å; L259-Y298 HydrophobicContact CD1-CE1 3.82Å; L259-Y298 HydrophobicContact CG-CD1 4.45Å; L259-Y298 HydrophobicContact CG-CE1 4.34Å; E294-Y298 HydrophobicContact CB-CD1 4.42Å; E294-Y298 HydrophobicContact CB-CD2 3.61Å; E294-Y298 HydrophobicContact CB-CE2 3.83Å; E294-Y298 HydrophobicContact CB-CG 3.94Å; E294-Y298 HydrophobicContact CG-CD1 4.08Å; E294-Y298 HydrophobicContact CG-CD2 3.96Å; E294-Y298 HydrophobicContact CG-CE1 3.88Å; E294-Y298 HydrophobicContact CG-CE2 3.78Å; E294-Y298 HydrophobicContact CG-CG 4.11Å; G295-Y298 WeakPolarHBondContact O-CD2 3.28Å; G295-Y298 PolarHBondContact O-N 2.72Å; D296-Y298 PolarHBondContact O-N 2.74Å; Y298-N300 PolarHBondContact O-N 2.9Å; Y298-A301 WeakPolarHBondContact O-CB 3.37Å; Y298-A301 PolarHBondContact O-N 3.11Å
299	L	91.6	Very high	95.8	Very high	135 Å²	135	51.1 Å²	51.1	71%	0.707	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-37.1	-170.2	-59.9	175.3	0	0	0	115	E297	E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 2.79Å
300	N	95.8	Very high	96	Very high	63 Å²	63	47.8 Å²	47.8	34%	0.337	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	19.3	-177.8	-58.6	-41.3	0	0	0	113.5	D260 R263 K271 L272 Y298	D260-N300 WeakPolarHBondContact OD1-CB 3.25Å; D260-N300 PolarHBondContact OD1-ND2 3.26Å; D260-N300 PolarHBondContact OD2-ND2 3.27Å; D260-N300 VanDerWaalsContact OD2-ND2 3.09Å; R263-N300 WeakPolarHBondContact CD-O 3.39Å; K271-N300 CarbonylContact C-O 3.4Å; K271-N300 WeakPolarHBondContact CA-O 3.32Å; L272-N300 PolarHBondContact N-O 3.43Å; Y298-N300 PolarHBondContact O-N 2.9Å
301	A	97.1	Very high	96.3	Very high	14 Å²	14	47.1 Å²	47.1	12%	0.116	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	167.9	174.8	0	0	0	0	0	112.2	K271 L272 I274 Y298	K271-A301 PolarHBondContact NZ-O 3.2Å; L272-A301 CarbonylContact O-C 3.42Å; L272-A301 WeakPolarHBondContact O-CA 3.26Å; L272-A301 WeakPolarHBondContact O-CB 3.49Å; I274-A301 HydrophobicContact CD1-CB 3.78Å; I274-A301 HydrophobicContact CG1-CB 4.22Å; Y298-A301 WeakPolarHBondContact O-CB 3.37Å; Y298-A301 PolarHBondContact O-N 3.11Å
302	E	97.1	Very high	96.3	Very high	72 Å²	72	50.9 Å²	50.9	34%	0.336	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.6	164.9	60.9	-177.1	-168.1	0	0	108.4	L272 T273 I274 K360	L272-E302 PolarHBondContact O-N 2.78Å; T273-E302 HydrophobicContact CG2-CG 3.99Å; T273-E302 PolarHBondContact OG1-OE1 2.86Å; I274-E302 PolarHBondContact N-O 2.77Å; E302-K360 VanDerWaalsContact OE1-CE 3.29Å; E302-K360 WeakPolarHBondContact OE1-CE 3.26Å; E302-K360 IonicContact OE1-NZ 2.73Å; E302-K360 PolarHBondContact OE1-NZ 2.81Å
303	L	98.2	Very high	96.4	Very high	50 Å²	50	53.3 Å²	53.3	26%	0.262	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.3	-177.1	-179.8	66.4	0	0	0	111.1	I274 D276 Y293 E294 F305	I274-L303 HydrophobicContact CB-CD1 3.9Å; I274-L303 HydrophobicContact CG2-CD1 3.55Å; I274-L303 CarbonylContact O-C 3.3Å; I274-L303 WeakPolarHBondContact O-CA 3.11Å; D276-L303 HydrophobicContact CB-CD1 4.06Å; Y293-L303 HydrophobicContact CD2-CD2 3.38Å; Y293-L303 HydrophobicContact CE2-CD2 4.17Å; Y293-L303 HydrophobicContact CG-CD2 3.93Å; E294-L303 WeakPolarHBondContact O-CD2 3.34Å; L303-F305 HydrophobicContact CD2-CE1 4.24Å; L303-F305 HydrophobicContact CD2-CE2 3.9Å; L303-F305 HydrophobicContact CD2-CZ 3.57Å; L303-F305 HydrophobicContact CG-CE2 4.31Å; L303-F305 HydrophobicContact CG-CZ 4.25Å
304	V	98.5	Very high	96.5	Very high	45 Å²	45	50.9 Å²	50.9	27%	0.273	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.3	176.9	-176.6	0	0	0	0	109.3	T273 I274 Y275 D276 L306	T273-V304 HydrophobicContact CG2-CG2 4.33Å; I274-V304 PolarHBondContact O-N 3.06Å; Y275-V304 WeakPolarHBondContact CA-O 3.38Å; Y275-V304 HydrophobicContact CD1-CB 3.81Å; Y275-V304 HydrophobicContact CD1-CG1 4.01Å; Y275-V304 HydrophobicContact CE1-CB 3.94Å; Y275-V304 HydrophobicContact CE1-CG1 3.97Å; Y275-V304 HydrophobicContact CE1-CG2 4.24Å; D276-V304 PolarHBondContact N-O 3.4Å; V304-L306 HydrophobicContact CG1-CD2 4.36Å
305	F	98.7	Very high	96.5	Very high	45 Å²	45	53.4 Å²	53.4	20%	0.197	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.5	171.9	-66.2	-74	0	0	0	110.1	D276 R278 N280 A283 Y293 L303	D276-F305 HydrophobicContact CB-CD1 3.83Å; D276-F305 HydrophobicContact CB-CE1 3.96Å; D276-F305 WeakPolarHBondContact O-CA 3.35Å; D276-F305 WeakPolarHBondContact OD2-CE1 3.4Å; R278-F305 WeakPolarHBondContact O-CB 3.47Å; R278-F305 WeakPolarHBondContact O-CD1 3.48Å; N280-F305 HydrophobicContact CB-CD1 4.41Å; N280-F305 HydrophobicContact CB-CD2 3.88Å; N280-F305 HydrophobicContact CB-CE2 4.11Å; N280-F305 HydrophobicContact CB-CG 4.03Å; N280-F305 HydrophobicContact CB-CZ 4.47Å; N280-F305 VanDerWaalsContact ND2-CE2 3.26Å; N280-F305 WeakPolarHBondContact ND2-CE2 3.18Å; A283-F305 HydrophobicContact CB-CD1 4.26Å; A283-F305 HydrophobicContact CB-CE1 3.46Å; A283-F305 VanDerWaalsContact CB-CE1 3.46Å; A283-F305 HydrophobicContact CB-CZ 4.17Å; Y293-F305 HydrophobicContact CD1-CZ 4.23Å; Y293-F305 HydrophobicContact CD2-CZ 4.2Å; Y293-F305 HydrophobicContact CE1-CZ 4.47Å; Y293-F305 HydrophobicContact CE2-CZ 4.44Å; Y293-F305 HydrophobicContact CG-CZ 4.08Å; L303-F305 HydrophobicContact CD2-CE1 4.24Å; L303-F305 HydrophobicContact CD2-CE2 3.9Å; L303-F305 HydrophobicContact CD2-CZ 3.57Å; L303-F305 HydrophobicContact CG-CE2 4.31Å; L303-F305 HydrophobicContact CG-CZ 4.25Å
306	L	98.6	Very high	96.9	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.052	28%	0.283	C	S	.	.			trans	-105.7	3.3	-177.1	-61.4	176	0	0	0	114.4	Y275 D276 V304 I308 L381	Y275-L306 HydrophobicContact CD1-CD1 4.11Å; Y275-L306 HydrophobicContact CD1-CD2 3.81Å; Y275-L306 HydrophobicContact CD1-CG 4.11Å; Y275-L306 HydrophobicContact CE1-CD2 4.3Å; Y275-L306 HydrophobicContact CG-CD1 4.39Å; D276-L306 PolarHBondContact O-N 2.92Å; V304-L306 HydrophobicContact CG1-CD2 4.36Å; L306-I308 HydrophobicContact CB-CD1 4.36Å; L306-I308 HydrophobicContact CB-CG1 4.27Å; L306-I308 PolarHBondContact O-N 3.05Å; L306-L381 HydrophobicContact CD1-CD1 3.58Å; L306-L381 HydrophobicContact CD1-CD2 3.98Å; L306-L381 HydrophobicContact CD1-CG 4.45Å
307	D	98.5	Very high	97.3	Very high	82 Å²	82	48.6 Å²	48.6	44%	0.439	24%	0.244	S	C	.	.			trans	57.5	16.1	174.7	-63.9	-47.3	0	0	0	116.7	R278 P279 Q309	R278-D307 PolarHBondContact O-N 3.23Å; P279-D307 WeakPolarHBondContact CA-OD1 3.48Å; P279-D307 WeakPolarHBondContact CB-OD1 3.41Å; D307-Q309 PolarHBondContact O-N 3.38Å
308	I	98.7	Very high	97.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.232	C	C	.	.			trans	-75.6	112.9	179	-48.4	171.3	0	0	0	109.8	A277 P279 L306 L349 V350 R377 L381	A277-I308 HydrophobicContact CB-CD1 4.41Å; A277-I308 WeakPolarHBondContact O-CA 3.4Å; A277-I308 WeakPolarHBondContact O-CB 3.42Å; A277-I308 PolarHBondContact O-N 3.06Å; P279-I308 WeakPolarHBondContact CD-O 3.33Å; L306-I308 HydrophobicContact CB-CD1 4.36Å; L306-I308 HydrophobicContact CB-CG1 4.27Å; L306-I308 PolarHBondContact O-N 3.05Å; I308-L349 HydrophobicContact CG1-CB 4.29Å; I308-V350 HydrophobicContact CD1-CG2 4.13Å; I308-V350 HydrophobicContact CG1-CG2 4.5Å; I308-V350 HydrophobicContact CG2-CG2 3.78Å; I308-R377 HydrophobicContact CB-CG 4.25Å; I308-R377 HydrophobicContact CG2-CG 3.77Å; I308-R377 VanDerWaalsContact O-CD 3.23Å; I308-R377 WeakPolarHBondContact O-CD 3.4Å; I308-R377 PolarHBondContact O-NH1 3.31Å; I308-L381 HydrophobicContact CD1-CD1 4.18Å; I308-L381 HydrophobicContact CD1-CD2 3.9Å; I308-L381 HydrophobicContact CD1-CG 4.19Å
309	Q	98.4	Very high	97.9	Very high	58 Å²	58	49.6 Å²	49.6	27%	0.271	25%	0.249	S	C	.	.			trans	-64.6	168	-173.9	-63.9	-65.9	-11.4	0	0	113.8	N282 D307 V313 M314 R377	N282-Q309 PolarHBondContact ND2-OE1 3.25Å; N282-Q309 VanDerWaalsContact ND2-OE1 3.16Å; D307-Q309 PolarHBondContact O-N 3.38Å; Q309-V313 HydrophobicContact CB-CB 3.79Å; Q309-V313 HydrophobicContact CB-CG1 3.8Å; Q309-V313 HydrophobicContact CB-CG2 4.01Å; Q309-V313 HydrophobicContact CG-CG1 4.22Å; Q309-M314 HydrophobicContact CB-CE 3.58Å; Q309-R377 PolarHBondContact O-NH1 3.27Å
310	N	98.3	Very high	98.3	Very high	50 Å²	50	47 Å²	47	27%	0.267	23%	0.232	S	C	.	.			trans	-78.4	174	-174.3	72.6	42.1	0	0	0	113.5	H312 V313 M314	N310-H312 PolarHBondContact O-N 2.94Å; N310-H312 VanDerWaalsContact O-N 3.15Å; N310-H312 WeakPolarHBondContact OD1-CB 3Å; N310-H312 PolarHBondContact OD1-N 3Å; N310-V313 PolarHBondContact O-N 3.29Å; N310-V313 PolarHBondContact OD1-N 2.91Å; N310-M314 PolarHBondContact O-N 2.74Å
311	I	98.5	Very high	98.4	Very high	19 Å²	19	44 Å²	44	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-28.7	-176.1	68.4	172.3	0	0	0	114.1	R315 S431 I433	I311-R315 PolarHBondContact O-N 3.03Å; I311-R315 VanDerWaalsContact O-N 3.13Å; I311-S431 WeakPolarHBondContact CA-OG 3.41Å; I311-S431 WeakPolarHBondContact CB-OG 3.35Å; I311-S431 WeakPolarHBondContact O-CB 3.45Å; I311-S431 PolarHBondContact O-OG 3.36Å; I311-I433 HydrophobicContact CG2-CD1 4.13Å; I311-I433 HydrophobicContact CG2-CG1 4.18Å
312	H	98.4	Very high	98.4	Very high	82 Å²	82	44.6 Å²	44.6	38%	0.38	22%	0.216	S	C	.	.	H	α-helix	trans	-75.5	-39.1	-178.9	-49.1	-52.5	0	0	0	111.2	N310 R315 E316 Q428	N310-H312 PolarHBondContact O-N 2.94Å; N310-H312 VanDerWaalsContact O-N 3.15Å; N310-H312 WeakPolarHBondContact OD1-CB 3Å; N310-H312 PolarHBondContact OD1-N 3Å; H312-R315 PolarHBondContact O-N 2.94Å; H312-E316 PolarHBondContact O-N 3.2Å; H312-Q428 PolarHBondContact CE1-O 3.4Å; H312-Q428 PolarHBondContact ND1-O 2.81Å; H312-Q428 VanDerWaalsContact ND1-O 3.11Å
313	V	98.7	Very high	98.4	Very high	51 Å²	51	46.1 Å²	46.1	31%	0.309	23%	0.226	S	C	.	.	H	α-helix	trans	-63.9	-45.4	174.3	-178	0	0	0	0	110.3	Q309 N310 R315 E316 S317	Q309-V313 HydrophobicContact CB-CB 3.79Å; Q309-V313 HydrophobicContact CB-CG1 3.8Å; Q309-V313 HydrophobicContact CB-CG2 4.01Å; Q309-V313 HydrophobicContact CG-CG1 4.22Å; N310-V313 PolarHBondContact O-N 3.29Å; N310-V313 PolarHBondContact OD1-N 2.91Å; V313-R315 VanDerWaalsContact C-N 3.31Å; V313-R315 PolarHBondContact O-N 3.26Å; V313-E316 PolarHBondContact O-N 3.03Å; V313-S317 WeakPolarHBondContact O-CB 3.42Å; V313-S317 PolarHBondContact O-N 3.26Å
314	M	98.7	Very high	98.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-37.7	176.9	-60.5	-56.3	125.3	0	0	112.8	Q309 N310 L318 H346 P432 I433 Q436	Q309-M314 HydrophobicContact CB-CE 3.58Å; N310-M314 PolarHBondContact O-N 2.74Å; M314-L318 PolarHBondContact O-N 2.98Å; M314-L318 VanDerWaalsContact O-N 3.12Å; M314-H346 HydrophobicContact CE-CB 3.97Å; M314-H346 HydrophobicContact SD-CB 3.81Å; M314-P432 HydrophobicContact CB-CG 4.35Å; M314-P432 WeakPolarHBondContact O-CG 3.07Å; M314-I433 HydrophobicContact CB-CD1 4.09Å; M314-I433 HydrophobicContact CG-CD1 3.87Å; M314-Q436 PolarHBondContact SD-NE2 3.42Å
315	R	98.5	Very high	98.1	Very high	59 Å²	59	43.3 Å²	43.3	22%	0.223	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-47.3	175.1	177.2	-174.9	55.4	-124.4	2.8	111.7	I311 H312 V313 S317 L318 K319 Q428 R430	I311-R315 PolarHBondContact O-N 3.03Å; I311-R315 VanDerWaalsContact O-N 3.13Å; H312-R315 PolarHBondContact O-N 2.94Å; V313-R315 VanDerWaalsContact C-N 3.31Å; V313-R315 PolarHBondContact O-N 3.26Å; R315-S317 VanDerWaalsContact C-N 3.32Å; R315-L318 PolarHBondContact O-N 2.63Å; R315-K319 WeakPolarHBondContact O-CB 3.3Å; R315-K319 PolarHBondContact O-N 3.29Å; R315-Q428 VanDerWaalsContact NH1-C 3.32Å; R315-Q428 PolarHBondContact NH1-O 2.82Å; R315-R430 WeakPolarHBondContact CD-O 3.48Å; R315-R430 PolarHBondContact NH1-O 3.32Å
316	E	98.7	Very high	97.9	Very high	76 Å²	76	42.5 Å²	42.5	36%	0.355	21%	0.205	S	C	.	.	H	α-helix	trans	-67.2	-36.2	-179.1	-169.2	60.4	-155.4	0	0	111.4	H312 V313 K319 K320	H312-E316 PolarHBondContact O-N 3.2Å; V313-E316 PolarHBondContact O-N 3.03Å; E316-K319 PolarHBondContact O-N 3.03Å; E316-K319 IonicContact OE1-NZ 3.33Å; E316-K319 PolarHBondContact OE1-NZ 3.23Å; E316-K319 IonicContact OE2-NZ 3.19Å; E316-K319 PolarHBondContact OE2-NZ 2.82Å; E316-K320 WeakPolarHBondContact O-CG 3.48Å; E316-K320 PolarHBondContact O-N 3.1Å
317	S	98.8	Very high	97.5	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-49.7	172.9	-178.7	0	0	0	0	112.3	V313 R315 K319 K320 L321 T341 W343 H346	V313-S317 WeakPolarHBondContact O-CB 3.42Å; V313-S317 PolarHBondContact O-N 3.26Å; R315-S317 VanDerWaalsContact C-N 3.32Å; S317-K319 VanDerWaalsContact C-N 3.33Å; S317-K319 PolarHBondContact O-N 3.03Å; S317-K320 PolarHBondContact O-N 2.88Å; S317-L321 PolarHBondContact O-N 3.47Å; S317-T341 WeakPolarHBondContact CA-O 3.43Å; S317-T341 VanDerWaalsContact CB-O 3.3Å; S317-T341 WeakPolarHBondContact CB-O 3.49Å; S317-T341 PolarHBondContact OG-O 3.3Å; S317-W343 WeakPolarHBondContact OG-CA 3.35Å; S317-W343 PolarHBondContact OG-N 2.71Å; S317-H346 PolarHBondContact OG-CD2 2.95Å
318	L	98.6	Very high	97	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-34.3	176.3	-176.6	62.1	0	0	0	112.8	M114 M314 R315 L321 K322 W343 P432 Y534	M114-L318 HydrophobicContact CE-CD1 3.92Å; M114-L318 HydrophobicContact SD-CD1 3.68Å; M114-L318 HydrophobicContact SD-CG 4.2Å; M314-L318 PolarHBondContact O-N 2.98Å; M314-L318 VanDerWaalsContact O-N 3.12Å; R315-L318 PolarHBondContact O-N 2.63Å; L318-L321 HydrophobicContact CD1-CD2 4.06Å; L318-L321 PolarHBondContact O-N 3.49Å; L318-K322 PolarHBondContact O-N 3.27Å; L318-W343 HydrophobicContact CB-CE3 4.08Å; L318-W343 HydrophobicContact CB-CH2 4.38Å; L318-W343 HydrophobicContact CB-CZ3 3.71Å; L318-W343 HydrophobicContact CD1-CE3 4.45Å; L318-W343 HydrophobicContact CD1-CH2 4.36Å; L318-W343 HydrophobicContact CD1-CZ3 4.29Å; L318-W343 HydrophobicContact CG-CZ3 4.49Å; L318-P432 HydrophobicContact CB-CG 3.87Å; L318-P432 HydrophobicContact CD2-CB 3.41Å; L318-P432 VanDerWaalsContact CD2-CB 3.41Å; L318-P432 HydrophobicContact CD2-CG 3.69Å; L318-P432 HydrophobicContact CG-CG 4.41Å; L318-Y534 HydrophobicContact CD1-CD1 4.32Å; L318-Y534 HydrophobicContact CD1-CE1 3.81Å
319	K	98.1	Very high	96.5	Very high	102 Å²	102	47.9 Å²	47.9	44%	0.443	24%	0.238	S	C	.	.	H	α-helix	trans	-61.7	-51.4	174.6	177.4	-172.8	148.7	-135.2	0	110.6	R315 E316 S317 L321 K322 D323	R315-K319 WeakPolarHBondContact O-CB 3.3Å; R315-K319 PolarHBondContact O-N 3.29Å; E316-K319 PolarHBondContact O-N 3.03Å; E316-K319 IonicContact OE1-NZ 3.33Å; E316-K319 PolarHBondContact OE1-NZ 3.23Å; E316-K319 IonicContact OE2-NZ 3.19Å; E316-K319 PolarHBondContact OE2-NZ 2.82Å; S317-K319 VanDerWaalsContact C-N 3.33Å; S317-K319 PolarHBondContact O-N 3.03Å; K319-L321 VanDerWaalsContact C-N 3.27Å; K319-L321 PolarHBondContact O-N 2.95Å; K319-K322 WeakPolarHBondContact O-CA 3.47Å; K319-K322 WeakPolarHBondContact O-CB 3.41Å; K319-K322 PolarHBondContact O-N 3.46Å; K319-D323 VanDerWaalsContact O-CG 3.23Å; K319-D323 PolarHBondContact O-N 2.94Å
320	K	98.6	Very high	96.2	Very high	80 Å²	80	50.6 Å²	50.6	35%	0.348	25%	0.251	S	S	.	.	H	α-helix	trans	-55.9	-41.8	173.7	-71.1	176.8	170.3	-170.3	0	112	E316 S317 D323 I324 S340 T341	E316-K320 WeakPolarHBondContact O-CG 3.48Å; E316-K320 PolarHBondContact O-N 3.1Å; S317-K320 PolarHBondContact O-N 2.88Å; K320-D323 PolarHBondContact O-N 2.95Å; K320-I324 PolarHBondContact O-N 2.88Å; K320-S340 WeakPolarHBondContact CD-O 3.17Å; K320-S340 PolarHBondContact NZ-O 2.72Å; K320-T341 HydrophobicContact CB-CG2 4.06Å
321	L	98.6	Very high	95.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-45.3	175.2	-177	66.2	0	0	0	111.4	M114 S317 L318 K319 D323 I324 V325 L338 T341 W343 L529 Y534	M114-L321 HydrophobicContact CE-CD2 4.39Å; M114-L321 HydrophobicContact CE-CG 4.24Å; S317-L321 PolarHBondContact O-N 3.47Å; L318-L321 HydrophobicContact CD1-CD2 4.06Å; L318-L321 PolarHBondContact O-N 3.49Å; K319-L321 VanDerWaalsContact C-N 3.27Å; K319-L321 PolarHBondContact O-N 2.95Å; L321-D323 VanDerWaalsContact C-N 3.32Å; L321-D323 PolarHBondContact O-N 2.81Å; L321-I324 HydrophobicContact CD1-CD1 4.33Å; L321-I324 HydrophobicContact CD1-CG1 4.42Å; L321-I324 VanDerWaalsContact O-CG1 3.26Å; L321-I324 WeakPolarHBondContact O-CG1 3.39Å; L321-I324 PolarHBondContact O-N 2.86Å; L321-V325 HydrophobicContact CD1-CG1 4.08Å; L321-V325 HydrophobicContact CG-CG1 4.48Å; L321-V325 WeakPolarHBondContact O-CG1 3.4Å; L321-V325 WeakPolarHBondContact O-CG2 3.32Å; L321-V325 PolarHBondContact O-N 3.32Å; L321-L338 HydrophobicContact CD1-CD1 3.64Å; L321-T341 HydrophobicContact CB-CG2 4.23Å; L321-T341 HydrophobicContact CD1-CG2 4.33Å; L321-W343 HydrophobicContact CD2-CB 4.21Å; L321-W343 HydrophobicContact CD2-CD2 4.16Å; L321-W343 HydrophobicContact CD2-CG 3.77Å; L321-L529 HydrophobicContact CD1-CD1 3.89Å; L321-L529 HydrophobicContact CD1-CD2 4.44Å; L321-L529 HydrophobicContact CD2-CD1 4.06Å; L321-Y534 HydrophobicContact CD2-CD1 3.82Å; L321-Y534 HydrophobicContact CD2-CD2 4.18Å; L321-Y534 HydrophobicContact CD2-CE1 3.93Å; L321-Y534 HydrophobicContact CD2-CE2 4.28Å; L321-Y534 HydrophobicContact CD2-CG 3.97Å
322	K	97.5	Very high	95.7	Very high	27 Å²	27	60.3 Å²	60.3	12%	0.117	31%	0.306	C	S	.	.	H	α-helix	trans	-58.3	-45	175.9	-174.9	178.5	174.3	177.8	0	111.8	C111 M114 R115 N116 L318 K319 I324 V325 Y326	C111-K322 PolarHBondContact O-NZ 3.34Å; M114-K322 VanDerWaalsContact CE-CA 3.45Å; M114-K322 HydrophobicContact CE-CB 3.63Å; M114-K322 HydrophobicContact CE-CG 4.2Å; M114-K322 HydrophobicContact SD-CB 4.25Å; R115-K322 PolarHBondContact O-NZ 2.62Å; N116-K322 WeakPolarHBondContact OD1-CE 3.41Å; N116-K322 PolarHBondContact OD1-NZ 2.88Å; L318-K322 PolarHBondContact O-N 3.27Å; K319-K322 WeakPolarHBondContact O-CA 3.47Å; K319-K322 WeakPolarHBondContact O-CB 3.41Å; K319-K322 PolarHBondContact O-N 3.46Å; K322-I324 PolarHBondContact O-N 3.24Å; K322-V325 PolarHBondContact O-N 3.18Å; K322-Y326 PolarHBondContact O-N 3.48Å; K322-Y326 VanDerWaalsContact O-N 3.07Å
323	D	96.5	Very high	95.5	Very high	104 Å²	104	61.4 Å²	61.4	56%	0.556	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-25.1	-176.4	-62.9	-22.9	0	0	0	112.8	K319 K320 L321	K319-D323 VanDerWaalsContact O-CG 3.23Å; K319-D323 PolarHBondContact O-N 2.94Å; K320-D323 PolarHBondContact O-N 2.95Å; L321-D323 VanDerWaalsContact C-N 3.32Å; L321-D323 PolarHBondContact O-N 2.81Å
324	I	96.4	Very high	95.4	Very high	33 Å²	33	61.9 Å²	61.9	17%	0.169	31%	0.307	C	S	.	.	H	α-helix	trans	-96.5	-15.6	176.6	69.8	163.3	0	0	0	114.9	K320 L321 K322 W334 L338 T341	K320-I324 PolarHBondContact O-N 2.88Å; L321-I324 HydrophobicContact CD1-CD1 4.33Å; L321-I324 HydrophobicContact CD1-CG1 4.42Å; L321-I324 VanDerWaalsContact O-CG1 3.26Å; L321-I324 WeakPolarHBondContact O-CG1 3.39Å; L321-I324 PolarHBondContact O-N 2.86Å; K322-I324 PolarHBondContact O-N 3.24Å; I324-W334 HydrophobicContact CD1-CZ3 4.17Å; I324-L338 HydrophobicContact CD1-CB 4.15Å; I324-L338 HydrophobicContact CD1-CD1 4.35Å; I324-T341 HydrophobicContact CD1-CG2 3.62Å; I324-T341 HydrophobicContact CG1-CG2 4.16Å
325	V	95.1	Very high	95.3	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-104.7	-16.4	-178.7	-55.7	0	0	0	0	114.7	M114 L321 K322 W334 L529 I535	M114-V325 HydrophobicContact CE-CG2 3.9Å; L321-V325 HydrophobicContact CD1-CG1 4.08Å; L321-V325 HydrophobicContact CG-CG1 4.48Å; L321-V325 WeakPolarHBondContact O-CG1 3.4Å; L321-V325 WeakPolarHBondContact O-CG2 3.32Å; L321-V325 PolarHBondContact O-N 3.32Å; K322-V325 PolarHBondContact O-N 3.18Å; V325-W334 HydrophobicContact CG1-CH2 3.88Å; V325-W334 HydrophobicContact CG1-CZ3 4.08Å; V325-L529 HydrophobicContact CG1-CD2 4.3Å; V325-I535 HydrophobicContact CB-CD1 4.47Å; V325-I535 HydrophobicContact CB-CG1 4.12Å; V325-I535 HydrophobicContact CG1-CD1 4.24Å; V325-I535 HydrophobicContact CG1-CG1 4.21Å
326	Y	94	Very high	95.2	Very high	28 Å²	28	68.5 Å²	68.5	11%	0.11	35%	0.351	C	S	.	.	S	Bend	trans	-138.9	132.6	-177	-169.5	-85.5	0	0	0	112.7	F53 M114 R115 N116 K322 W537	F53-Y326 HydrophobicContact CE2-CE2 4.19Å; F53-Y326 HydrophobicContact CZ-CD2 4.44Å; F53-Y326 AromaticContact CZ-CE2 3.99Å; F53-Y326 HydrophobicContact CZ-CE2 3.99Å; M114-Y326 WeakPolarHBondContact O-CB 3.15Å; R115-Y326 HydrophobicContact CB-CD2 4.11Å; R115-Y326 HydrophobicContact CB-CE1 4.15Å; R115-Y326 HydrophobicContact CB-CE2 3.63Å; N116-Y326 HydrophobicContact CB-CE1 4.02Å; N116-Y326 WeakPolarHBondContact O-CE1 3.3Å; N116-Y326 PolarHBondContact O-OH 2.99Å; K322-Y326 PolarHBondContact O-N 3.48Å; K322-Y326 VanDerWaalsContact O-N 3.07Å; Y326-W537 HydrophobicContact CD2-CB 4.35Å; Y326-W537 HydrophobicContact CE2-CB 3.92Å
327	P	90.3	Very high	95.2	Very high	52 Å²	52	66.2 Å²	66.2	34%	0.338	34%	0.344	S	S	.	.	S	Bend	cis	-81.6	-32.6	2.6	29.2	-33.1	0	0	0	114.3	P52 F53	P52-P327 HydrophobicContact CB-CB 3.46Å; P52-P327 VanDerWaalsContact CB-CB 3.46Å; P52-P327 HydrophobicContact CB-CG 4.17Å; P52-P327 HydrophobicContact CG-CB 3.84Å; F53-P327 VanDerWaalsContact CE1-O 3.22Å; F53-P327 WeakPolarHBondContact CE1-O 3.32Å
328	N	88.1	Confident	95.2	Very high	108 Å²	108	66.9 Å²	66.9	58%	0.578	35%	0.347	S	S	*	.			trans	-116.3	140.6	-172.3	-63.8	-32.4	0	0	0	109.5
329	V	88.3	Confident	95.1	Very high	46 Å²	46	72.3 Å²	72.3	28%	0.279	37%	0.372	S	S	.	.			trans	-91.4	130.4	174.4	175.1	0	0	0	0	108.7	W334 I535	V329-W334 HydrophobicContact CG1-CD2 4.08Å; V329-W334 HydrophobicContact CG1-CE3 3.4Å; V329-W334 VanDerWaalsContact CG1-CE3 3.4Å; V329-W334 HydrophobicContact CG1-CZ3 3.68Å; V329-W334 HydrophobicContact CG2-CZ3 4.33Å; V329-I535 HydrophobicContact CG2-CG2 4.45Å
330	E	91.3	Very high	95.1	Very high	116 Å²	116	70.3 Å²	70.3	54%	0.542	37%	0.371	S	S	.	.			trans	-87	105.6	171	-172.4	-178.5	177.1	0	0	110.1	H333 W334	E330-H333 IonicContact OE1-CD2 2.85Å; E330-H333 PolarHBondContact OE1-CD2 3.45Å; E330-W334 PolarHBondContact O-N 3.42Å
331	E	91	Very high	95.1	Very high	168 Å²	168	66.6 Å²	66.6	79%	0.785	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-68.3	-39.8	-172.5	-63.3	-179.6	-175	0	0	112.9	H333 W334	E331-H333 PolarHBondContact O-N 3.03Å; E331-H333 VanDerWaalsContact O-N 3.1Å; E331-W334 WeakPolarHBondContact O-CB 3.42Å; E331-W334 PolarHBondContact O-N 3.28Å
332	S	95.8	Very high	95.2	Very high	104 Å²	104	70.3 Å²	70.3	73%	0.727	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-55.9	-31	-175.9	-54.6	0	0	0	0	114.7
333	H	94.8	Very high	95.2	Very high	105 Å²	105	69 Å²	69	49%	0.486	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-124.1	15.8	-176.1	-63.6	-46.2	0	0	0	112.5	E330 E331 L335 S336 S337	E330-H333 IonicContact OE1-CD2 2.85Å; E330-H333 PolarHBondContact OE1-CD2 3.45Å; E331-H333 PolarHBondContact O-N 3.03Å; E331-H333 VanDerWaalsContact O-N 3.1Å; H333-L335 PolarHBondContact O-N 3.32Å; H333-S336 PolarHBondContact O-N 3.13Å; H333-S336 PolarHBondContact O-OG 3.34Å; H333-S337 VanDerWaalsContact O-CB 3.31Å; H333-S337 WeakPolarHBondContact O-CB 3.43Å; H333-S337 PolarHBondContact O-N 3.35Å; H333-S337 PolarHBondContact O-OG 3.17Å; H333-S337 VanDerWaalsContact O-OG 3.13Å
334	W	95.8	Very high	95.3	Very high	62 Å²	62	64.7 Å²	64.7	24%	0.235	34%	0.343	C	S	.	.	H	α-helix	trans	-49.2	-51.5	-171.5	171.4	-119	0	0	0	114	I324 V325 V329 E330 E331 S337 L338 L529 I535	I324-W334 HydrophobicContact CD1-CZ3 4.17Å; V325-W334 HydrophobicContact CG1-CH2 3.88Å; V325-W334 HydrophobicContact CG1-CZ3 4.08Å; V329-W334 HydrophobicContact CG1-CD2 4.08Å; V329-W334 HydrophobicContact CG1-CE3 3.4Å; V329-W334 VanDerWaalsContact CG1-CE3 3.4Å; V329-W334 HydrophobicContact CG1-CZ3 3.68Å; V329-W334 HydrophobicContact CG2-CZ3 4.33Å; E330-W334 PolarHBondContact O-N 3.42Å; E331-W334 WeakPolarHBondContact O-CB 3.42Å; E331-W334 PolarHBondContact O-N 3.28Å; W334-S337 PolarHBondContact O-N 3.42Å; W334-L338 HydrophobicContact CZ2-CD2 4.26Å; W334-L338 VanDerWaalsContact O-CB 3.3Å; W334-L338 WeakPolarHBondContact O-CB 3.15Å; W334-L338 PolarHBondContact O-N 3.08Å; W334-L529 HydrophobicContact CH2-CD2 3.44Å; W334-L529 VanDerWaalsContact CH2-CD2 3.44Å; W334-L529 HydrophobicContact CZ2-CD2 3.51Å; W334-I535 HydrophobicContact CH2-CD1 4.03Å; W334-I535 HydrophobicContact CZ2-CD1 4.48Å
335	L	96.9	Very high	95.4	Very high	135 Å²	135	66.9 Å²	66.9	71%	0.707	35%	0.353	S	S	*	.	H	α-helix	trans	-67.3	-43.6	-175.8	-63.3	178.2	0	0	0	112.6	H333 L338 E339	H333-L335 PolarHBondContact O-N 3.32Å; L335-L338 PolarHBondContact O-N 2.96Å; L335-E339 WeakPolarHBondContact O-CB 3.18Å; L335-E339 PolarHBondContact O-N 2.91Å
336	S	97.3	Very high	95.6	Very high	63 Å²	63	67.4 Å²	67.4	44%	0.441	36%	0.355	S	S	.	.	H	α-helix	trans	-69.5	-36.6	177.3	47.3	0	0	0	0	112.3	H333 E339 S340	H333-S336 PolarHBondContact O-N 3.13Å; H333-S336 PolarHBondContact O-OG 3.34Å; S336-E339 PolarHBondContact O-N 3.19Å; S336-S340 PolarHBondContact O-N 3.39Å
337	S	97.9	Very high	95.8	Very high	28 Å²	28	66.1 Å²	66.1	20%	0.196	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-46.8	173.4	-70.2	0	0	0	0	110.4	H333 W334 S340 T341	H333-S337 VanDerWaalsContact O-CB 3.31Å; H333-S337 WeakPolarHBondContact O-CB 3.43Å; H333-S337 PolarHBondContact O-N 3.35Å; H333-S337 PolarHBondContact O-OG 3.17Å; H333-S337 VanDerWaalsContact O-OG 3.13Å; W334-S337 PolarHBondContact O-N 3.42Å; S337-S340 PolarHBondContact O-N 3.14Å; S337-S340 PolarHBondContact O-OG 3.31Å; S337-T341 WeakPolarHBondContact O-CG2 3.49Å; S337-T341 PolarHBondContact O-N 3.41Å
338	L	97.9	Very high	96.2	Very high	18 Å²	18	67 Å²	67	9%	0.094	35%	0.348	C	S	.	.	H	α-helix	trans	-61.6	-43.1	175.9	-179.4	59.8	0	0	0	112.3	L321 I324 W334 L335 S340 T341 L344 L529	L321-L338 HydrophobicContact CD1-CD1 3.64Å; I324-L338 HydrophobicContact CD1-CB 4.15Å; I324-L338 HydrophobicContact CD1-CD1 4.35Å; W334-L338 HydrophobicContact CZ2-CD2 4.26Å; W334-L338 VanDerWaalsContact O-CB 3.3Å; W334-L338 WeakPolarHBondContact O-CB 3.15Å; W334-L338 PolarHBondContact O-N 3.08Å; L335-L338 PolarHBondContact O-N 2.96Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 3.36Å; L338-T341 WeakPolarHBondContact O-CB 3.22Å; L338-T341 WeakPolarHBondContact O-CG2 3.33Å; L338-T341 PolarHBondContact O-N 3.45Å; L338-T341 PolarHBondContact O-OG1 3.03Å; L338-L344 HydrophobicContact CD2-CD1 3.96Å; L338-L344 HydrophobicContact CG-CD1 4.38Å; L338-L529 HydrophobicContact CD1-CD1 4.26Å; L338-L529 HydrophobicContact CD1-CD2 4.28Å; L338-L529 HydrophobicContact CD2-CB 4.33Å
339	E	97.9	Very high	96.8	Very high	136 Å²	136	63.8 Å²	63.8	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-57.1	-45.7	173.7	-176.8	173.9	-127.7	0	0	111.7	L335 S336 T341 H342	L335-E339 WeakPolarHBondContact O-CB 3.18Å; L335-E339 PolarHBondContact O-N 2.91Å; S336-E339 PolarHBondContact O-N 3.19Å; E339-T341 PolarHBondContact O-N 3.12Å; E339-H342 PolarHBondContact O-N 2.81Å
340	S	98.3	Very high	97.3	Very high	61 Å²	61	61.6 Å²	61.6	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-15	-179.7	83.2	0	0	0	0	115.3	K320 S336 S337 L338 H342	K320-S340 WeakPolarHBondContact CD-O 3.17Å; K320-S340 PolarHBondContact NZ-O 2.72Å; S336-S340 PolarHBondContact O-N 3.39Å; S337-S340 PolarHBondContact O-N 3.14Å; S337-S340 PolarHBondContact O-OG 3.31Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 3.36Å; S340-H342 PolarHBondContact O-CD2 3.43Å
341	T	98.6	Very high	97.6	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-25.7	172.2	76.1	0	0	0	0	112.5	S317 K320 L321 I324 S337 L338 E339 W343	S317-T341 WeakPolarHBondContact CA-O 3.43Å; S317-T341 VanDerWaalsContact CB-O 3.3Å; S317-T341 WeakPolarHBondContact CB-O 3.49Å; S317-T341 PolarHBondContact OG-O 3.3Å; K320-T341 HydrophobicContact CB-CG2 4.06Å; L321-T341 HydrophobicContact CB-CG2 4.23Å; L321-T341 HydrophobicContact CD1-CG2 4.33Å; I324-T341 HydrophobicContact CD1-CG2 3.62Å; I324-T341 HydrophobicContact CG1-CG2 4.16Å; S337-T341 WeakPolarHBondContact O-CG2 3.49Å; S337-T341 PolarHBondContact O-N 3.41Å; L338-T341 WeakPolarHBondContact O-CB 3.22Å; L338-T341 WeakPolarHBondContact O-CG2 3.33Å; L338-T341 PolarHBondContact O-N 3.45Å; L338-T341 PolarHBondContact O-OG1 3.03Å; E339-T341 PolarHBondContact O-N 3.12Å; T341-W343 PolarHBondContact O-N 2.93Å; T341-W343 VanDerWaalsContact O-N 3.16Å; T341-W343 WeakPolarHBondContact OG1-CB 3.49Å; T341-W343 PolarHBondContact OG1-N 3.48Å
342	H	98.7	Very high	98	Very high	78 Å²	78	49.6 Å²	49.6	36%	0.361	27%	0.265	S	S	.	.			trans	56.2	11.4	-167.2	-55.7	-88.4	0	0	0	115.4	E339 S340 L344 E345 H346	E339-H342 PolarHBondContact O-N 2.81Å; S340-H342 PolarHBondContact O-CD2 3.43Å; H342-L344 PolarHBondContact O-N 3.33Å; H342-E345 HydrophobicContact CB-CB 4.41Å; H342-E345 IonicContact CE1-OE2 2.95Å; H342-E345 IonicContact CG-OE2 3.62Å; H342-E345 IonicContact ND1-OE2 2.98Å; H342-E345 PolarHBondContact ND1-OE2 2.81Å; H342-E345 WeakPolarHBondContact O-CB 3.3Å; H342-E345 PolarHBondContact O-N 3.4Å; H342-H346 PolarHBondContact O-CD2 2.79Å; H342-H346 VanDerWaalsContact O-CG 3.27Å; H342-H346 PolarHBondContact O-N 2.89Å
343	W	98.8	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-51.5	-174	-175.9	-100.7	0	0	0	112.3	S317 L318 L321 T341 E345 H346 I347 P432 Q436 D439 Y534	S317-W343 WeakPolarHBondContact OG-CA 3.35Å; S317-W343 PolarHBondContact OG-N 2.71Å; L318-W343 HydrophobicContact CB-CE3 4.08Å; L318-W343 HydrophobicContact CB-CH2 4.38Å; L318-W343 HydrophobicContact CB-CZ3 3.71Å; L318-W343 HydrophobicContact CD1-CE3 4.45Å; L318-W343 HydrophobicContact CD1-CH2 4.36Å; L318-W343 HydrophobicContact CD1-CZ3 4.29Å; L318-W343 HydrophobicContact CG-CZ3 4.49Å; L321-W343 HydrophobicContact CD2-CB 4.21Å; L321-W343 HydrophobicContact CD2-CD2 4.16Å; L321-W343 HydrophobicContact CD2-CG 3.77Å; T341-W343 PolarHBondContact O-N 2.93Å; T341-W343 VanDerWaalsContact O-N 3.16Å; T341-W343 WeakPolarHBondContact OG1-CB 3.49Å; T341-W343 PolarHBondContact OG1-N 3.48Å; W343-E345 VanDerWaalsContact C-N 3.27Å; W343-E345 PolarHBondContact O-N 2.89Å; W343-H346 PolarHBondContact O-N 3.28Å; W343-H346 VanDerWaalsContact O-N 3.13Å; W343-I347 HydrophobicContact CZ2-CD1 4.36Å; W343-I347 WeakPolarHBondContact O-CG1 3.34Å; W343-I347 PolarHBondContact O-N 3.1Å; W343-P432 HydrophobicContact CH2-CB 4.27Å; W343-P432 HydrophobicContact CH2-CG 3.98Å; W343-P432 HydrophobicContact CZ3-CG 3.96Å; W343-Q436 HydrophobicContact CH2-CB 4.01Å; W343-Q436 HydrophobicContact CH2-CG 4.36Å; W343-Q436 HydrophobicContact CZ2-CB 4.21Å; W343-Q436 HydrophobicContact CZ2-CG 4.41Å; W343-D439 PolarHBondContact NE1-OD2 3.23Å; W343-Y534 AromaticContact CE2-CZ 3.96Å; W343-Y534 VanDerWaalsContact CE2-OH 3.32Å; W343-Y534 WeakPolarHBondContact CZ2-OH 3.44Å; W343-Y534 AromaticContact NE1-CE2 3.86Å; W343-Y534 AromaticContact NE1-CZ 3.6Å; W343-Y534 PolarHBondContact NE1-OH 3.42Å; W343-Y534 VanDerWaalsContact NE1-OH 3.15Å
344	L	98.7	Very high	98.3	Very high	14 Å²	14	39.7 Å²	39.7	7%	0.073	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-27.6	177.8	-64.6	-177.8	0	0	0	112.8	L338 H342 K348 M524 E528	L338-L344 HydrophobicContact CD2-CD1 3.96Å; L338-L344 HydrophobicContact CG-CD1 4.38Å; H342-L344 PolarHBondContact O-N 3.33Å; L344-K348 VanDerWaalsContact O-CB 3.29Å; L344-K348 WeakPolarHBondContact O-CB 3.47Å; L344-K348 PolarHBondContact O-N 2.71Å; L344-M524 HydrophobicContact CB-CE 3.79Å; L344-M524 HydrophobicContact CB-SD 4.25Å; L344-E528 WeakPolarHBondContact CD2-O 3.47Å
345	E	98.7	Very high	98.5	Very high	79 Å²	79	38.4 Å²	38.4	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-67.7	-39.9	172	-175.8	-177.1	-176	0	0	111.1	H342 W343 K348 L349 M524	H342-E345 HydrophobicContact CB-CB 4.41Å; H342-E345 IonicContact CE1-OE2 2.95Å; H342-E345 IonicContact CG-OE2 3.62Å; H342-E345 IonicContact ND1-OE2 2.98Å; H342-E345 PolarHBondContact ND1-OE2 2.81Å; H342-E345 WeakPolarHBondContact O-CB 3.3Å; H342-E345 PolarHBondContact O-N 3.4Å; W343-E345 VanDerWaalsContact C-N 3.27Å; W343-E345 PolarHBondContact O-N 2.89Å; E345-K348 WeakPolarHBondContact O-CB 3.3Å; E345-K348 PolarHBondContact O-N 3.15Å; E345-L349 WeakPolarHBondContact O-CG 3.47Å; E345-L349 PolarHBondContact O-N 3.28Å; E345-M524 HydrophobicContact CB-SD 4.46Å
346	H	98.8	Very high	98.6	Very high	14 Å²	14	35.5 Å²	35.5	7%	0.065	19%	0.188	C	C	.	.	H	α-helix	trans	-70.2	-38.2	175.7	-59.6	-21.4	0	0	0	112.2	M314 S317 H342 W343 K348 L349 V350 Q436	M314-H346 HydrophobicContact CE-CB 3.97Å; M314-H346 HydrophobicContact SD-CB 3.81Å; S317-H346 PolarHBondContact OG-CD2 2.95Å; H342-H346 PolarHBondContact O-CD2 2.79Å; H342-H346 VanDerWaalsContact O-CG 3.27Å; H342-H346 PolarHBondContact O-N 2.89Å; W343-H346 PolarHBondContact O-N 3.28Å; W343-H346 VanDerWaalsContact O-N 3.13Å; H346-K348 VanDerWaalsContact C-N 3.35Å; H346-L349 PolarHBondContact O-N 2.87Å; H346-V350 WeakPolarHBondContact O-CG2 3.37Å; H346-V350 PolarHBondContact O-N 2.66Å; H346-V350 VanDerWaalsContact O-N 3.08Å; H346-Q436 VanDerWaalsContact CB-NE2 3.34Å
347	I	98.9	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-46.6	169.7	-66.4	-69.8	0	0	0	110.7	W343 L349 V350 L351 Q436 D439 Q443 L527	W343-I347 HydrophobicContact CZ2-CD1 4.36Å; W343-I347 WeakPolarHBondContact O-CG1 3.34Å; W343-I347 PolarHBondContact O-N 3.1Å; I347-L349 PolarHBondContact O-N 2.84Å; I347-V350 PolarHBondContact O-N 3.3Å; I347-L351 HydrophobicContact CG2-CD1 3.98Å; I347-L351 PolarHBondContact O-N 2.96Å; I347-Q436 HydrophobicContact CD1-CB 4.46Å; I347-Q436 HydrophobicContact CD1-CG 3.59Å; I347-D439 HydrophobicContact CD1-CB 3.61Å; I347-Q443 HydrophobicContact CG2-CG 3.9Å; I347-L527 HydrophobicContact CG2-CD1 4.24Å; I347-L527 HydrophobicContact CG2-CD2 4.35Å
348	K	98.8	Very high	98.7	Very high	71 Å²	71	31.2 Å²	31.2	31%	0.309	16%	0.158	S	C	.	.	H	α-helix	trans	-54.9	-51.3	174.5	178.6	-163.4	166.1	-160.2	0	111.6	L344 E345 H346 V350 L351 S352 A522 M524 L527	L344-K348 VanDerWaalsContact O-CB 3.29Å; L344-K348 WeakPolarHBondContact O-CB 3.47Å; L344-K348 PolarHBondContact O-N 2.71Å; E345-K348 WeakPolarHBondContact O-CB 3.3Å; E345-K348 PolarHBondContact O-N 3.15Å; H346-K348 VanDerWaalsContact C-N 3.35Å; K348-V350 VanDerWaalsContact C-N 3.35Å; K348-V350 PolarHBondContact O-N 3.45Å; K348-L351 PolarHBondContact O-N 3.42Å; K348-S352 WeakPolarHBondContact O-CB 3.44Å; K348-S352 PolarHBondContact O-N 2.94Å; K348-S352 PolarHBondContact O-OG 2.98Å; K348-S352 VanDerWaalsContact O-OG 3.09Å; K348-A522 HydrophobicContact CG-CB 4.44Å; K348-A522 WeakPolarHBondContact CG-O 3.38Å; K348-M524 HydrophobicContact CB-SD 4.44Å; K348-M524 HydrophobicContact CD-CG 4.33Å; K348-M524 HydrophobicContact CD-SD 4.19Å; K348-L527 HydrophobicContact CB-CD1 3.59Å; K348-L527 HydrophobicContact CG-CD1 4.31Å
349	L	98.8	Very high	98.7	Very high	40 Å²	40	34.1 Å²	34.1	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-41.1	-178.6	-71	170.1	0	0	0	112.3	I308 E345 H346 I347 G353	I308-L349 HydrophobicContact CG1-CB 4.29Å; E345-L349 WeakPolarHBondContact O-CG 3.47Å; E345-L349 PolarHBondContact O-N 3.28Å; H346-L349 PolarHBondContact O-N 2.87Å; I347-L349 PolarHBondContact O-N 2.84Å; L349-G353 PolarHBondContact O-N 3.37Å
350	V	98.9	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-46.1	176.3	172.6	0	0	0	0	111.5	I308 H346 I347 K348 G353 A354 Q380 L384	I308-V350 HydrophobicContact CD1-CG2 4.13Å; I308-V350 HydrophobicContact CG1-CG2 4.5Å; I308-V350 HydrophobicContact CG2-CG2 3.78Å; H346-V350 WeakPolarHBondContact O-CG2 3.37Å; H346-V350 PolarHBondContact O-N 2.66Å; H346-V350 VanDerWaalsContact O-N 3.08Å; I347-V350 PolarHBondContact O-N 3.3Å; K348-V350 VanDerWaalsContact C-N 3.35Å; K348-V350 PolarHBondContact O-N 3.45Å; V350-G353 PolarHBondContact O-N 2.89Å; V350-A354 PolarHBondContact O-N 3.49Å; V350-Q380 HydrophobicContact CG1-CB 3.97Å; V350-L384 HydrophobicContact CG1-CD1 3.51Å
351	L	98.8	Very high	98.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-46	175.6	-76.4	168.9	0	0	0	112.1	I347 K348 G353 A354 I355 L384 M388 C440 Q443 M444 P520 A522 L527	I347-L351 HydrophobicContact CG2-CD1 3.98Å; I347-L351 PolarHBondContact O-N 2.96Å; K348-L351 PolarHBondContact O-N 3.42Å; L351-G353 VanDerWaalsContact C-N 3.27Å; L351-G353 PolarHBondContact O-N 2.65Å; L351-A354 PolarHBondContact O-N 3Å; L351-A354 VanDerWaalsContact O-N 3.12Å; L351-I355 WeakPolarHBondContact O-CB 3.43Å; L351-I355 WeakPolarHBondContact O-CD1 3.44Å; L351-I355 WeakPolarHBondContact O-CG1 3.36Å; L351-I355 PolarHBondContact O-N 3.49Å; L351-L384 HydrophobicContact CD2-CD1 4.49Å; L351-M388 HydrophobicContact CD2-CE 4.26Å; L351-C440 HydrophobicContact CD2-CB 3.88Å; L351-C440 HydrophobicContact CG-CB 4.03Å; L351-Q443 HydrophobicContact CD1-CB 4.01Å; L351-Q443 HydrophobicContact CD1-CG 4.2Å; L351-M444 HydrophobicContact CD2-CG 4.27Å; L351-P520 HydrophobicContact CD2-CG 4.44Å; L351-A522 HydrophobicContact CB-CB 3.92Å; L351-L527 HydrophobicContact CD1-CD2 3.6Å
352	S	98.8	Very high	98.6	Very high	33 Å²	33	28.9 Å²	28.9	23%	0.231	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-36.9	176.1	-69.6	0	0	0	0	112.8	K348 Q356 A522	K348-S352 WeakPolarHBondContact O-CB 3.44Å; K348-S352 PolarHBondContact O-N 2.94Å; K348-S352 PolarHBondContact O-OG 2.98Å; K348-S352 VanDerWaalsContact O-OG 3.09Å; S352-Q356 WeakPolarHBondContact O-CG 3.41Å; S352-Q356 PolarHBondContact O-N 3.33Å; S352-Q356 PolarHBondContact O-NE2 3Å; S352-A522 VanDerWaalsContact OG-CB 3.25Å; S352-A522 WeakPolarHBondContact OG-CB 3.32Å
353	G	98.8	Very high	98.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-44	173.5	0	0	0	0	0	112.5	L349 V350 L351 Q356 V357	L349-G353 PolarHBondContact O-N 3.37Å; V350-G353 PolarHBondContact O-N 2.89Å; L351-G353 VanDerWaalsContact C-N 3.27Å; L351-G353 PolarHBondContact O-N 2.65Å; G353-Q356 PolarHBondContact O-N 3.1Å; G353-V357 WeakPolarHBondContact O-CG2 3.16Å; G353-V357 PolarHBondContact O-N 2.77Å; G353-V357 VanDerWaalsContact O-N 3.12Å
354	A	98.9	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-37.8	178.3	0	0	0	0	0	112.7	V350 L351 V357 A358 L381 L384 M388	V350-A354 PolarHBondContact O-N 3.49Å; L351-A354 PolarHBondContact O-N 3Å; L351-A354 VanDerWaalsContact O-N 3.12Å; A354-V357 PolarHBondContact O-N 3.22Å; A354-A358 WeakPolarHBondContact O-CB 3.44Å; A354-A358 PolarHBondContact O-N 2.97Å; A354-L381 HydrophobicContact CB-CD2 4.35Å; A354-L381 VanDerWaalsContact N-CD2 3.34Å; A354-L384 HydrophobicContact CB-CB 3.43Å; A354-L384 VanDerWaalsContact CB-CB 3.43Å; A354-L384 HydrophobicContact CB-CD1 4.25Å; A354-L384 HydrophobicContact CB-CG 4.5Å; A354-M388 HydrophobicContact CB-CE 3.7Å; A354-M388 HydrophobicContact CB-SD 4.39Å
355	I	98.9	Very high	98.3	Very high	34 Å²	34	30.4 Å²	30.4	17%	0.174	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-45.8	173.7	-69.4	157.5	0	0	0	110.7	L351 V357 A358 D359 M388 Y519 P520 A522	L351-I355 WeakPolarHBondContact O-CB 3.43Å; L351-I355 WeakPolarHBondContact O-CD1 3.44Å; L351-I355 WeakPolarHBondContact O-CG1 3.36Å; L351-I355 PolarHBondContact O-N 3.49Å; I355-V357 PolarHBondContact O-N 2.92Å; I355-A358 PolarHBondContact O-N 3.25Å; I355-D359 VanDerWaalsContact O-CB 3.29Å; I355-D359 WeakPolarHBondContact O-CB 3.4Å; I355-D359 PolarHBondContact O-N 2.86Å; I355-M388 HydrophobicContact CG1-CE 3.98Å; I355-M388 HydrophobicContact CG1-SD 4.03Å; I355-Y519 HydrophobicContact CG2-CD1 4.38Å; I355-P520 HydrophobicContact CD1-CG 4.11Å; I355-P520 WeakPolarHBondContact CD1-O 3.1Å; I355-P520 HydrophobicContact CG1-CG 4.05Å; I355-A522 HydrophobicContact CD1-CB 3.65Å
356	Q	98.8	Very high	98.3	Very high	75 Å²	75	26.6 Å²	26.6	35%	0.35	15%	0.147	S	C	.	.	H	α-helix	trans	-61.9	-42.6	177.3	-75.3	171.2	77.8	0	0	112.2	Y275 S352 G353 A358 K360	Y275-Q356 HydrophobicContact CE1-CB 3.89Å; Y275-Q356 PolarHBondContact OH-O 2.81Å; S352-Q356 WeakPolarHBondContact O-CG 3.41Å; S352-Q356 PolarHBondContact O-N 3.33Å; S352-Q356 PolarHBondContact O-NE2 3Å; G353-Q356 PolarHBondContact O-N 3.1Å; Q356-A358 VanDerWaalsContact C-N 3.35Å; Q356-K360 VanDerWaalsContact O-CB 3.23Å; Q356-K360 WeakPolarHBondContact O-CB 3.48Å; Q356-K360 PolarHBondContact O-N 3.42Å; Q356-K360 VanDerWaalsContact O-N 3.1Å
357	V	98.8	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-44.4	174.7	172.3	0	0	0	0	110.8	I237 Y275 G353 A354 I355 V361 V367 V369 A385	I237-V357 HydrophobicContact CD1-CG1 3.99Å; I237-V357 HydrophobicContact CG1-CG1 4.18Å; I237-V357 HydrophobicContact CG2-CG1 4.48Å; Y275-V357 HydrophobicContact CD2-CG2 3.74Å; Y275-V357 HydrophobicContact CE2-CG2 4.13Å; Y275-V357 HydrophobicContact CG-CG2 4.02Å; G353-V357 WeakPolarHBondContact O-CG2 3.16Å; G353-V357 PolarHBondContact O-N 2.77Å; G353-V357 VanDerWaalsContact O-N 3.12Å; A354-V357 PolarHBondContact O-N 3.22Å; I355-V357 PolarHBondContact O-N 2.92Å; V357-V361 VanDerWaalsContact O-CG2 3.27Å; V357-V361 WeakPolarHBondContact O-CG2 3.39Å; V357-V361 PolarHBondContact O-N 2.96Å; V357-V367 HydrophobicContact CG1-CG2 3.98Å; V357-V369 HydrophobicContact CG1-CG2 4.06Å; V357-V369 HydrophobicContact CG2-CG2 3.87Å; V357-A385 HydrophobicContact CB-CB 3.92Å; V357-A385 HydrophobicContact CG1-CB 3.48Å; V357-A385 VanDerWaalsContact CG1-CB 3.48Å
358	A	98.7	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-50.3	179.3	0	0	0	0	0	112.7	A354 I355 Q356 K360 V361 S362 A385 M388 L389	A354-A358 WeakPolarHBondContact O-CB 3.44Å; A354-A358 PolarHBondContact O-N 2.97Å; I355-A358 PolarHBondContact O-N 3.25Å; Q356-A358 VanDerWaalsContact C-N 3.35Å; A358-K360 PolarHBondContact O-N 3.28Å; A358-V361 PolarHBondContact O-N 3.31Å; A358-S362 WeakPolarHBondContact O-CB 3.38Å; A358-S362 PolarHBondContact O-N 3.2Å; A358-A385 HydrophobicContact CB-CB 4.28Å; A358-M388 HydrophobicContact CB-CB 3.93Å; A358-M388 HydrophobicContact CB-SD 3.88Å; A358-L389 HydrophobicContact CB-CD1 4.4Å; A358-L389 HydrophobicContact CB-CD2 4.34Å; A358-L389 HydrophobicContact CB-CG 4.08Å
359	D	98.4	Very high	98.3	Very high	80 Å²	80	22.6 Å²	22.6	43%	0.428	13%	0.129	S	C	.	.	H	α-helix	trans	-57	-45.9	179.6	175.2	68.5	0	0	0	112.1	I355 V361 S362 S363 Y519	I355-D359 VanDerWaalsContact O-CB 3.29Å; I355-D359 WeakPolarHBondContact O-CB 3.4Å; I355-D359 PolarHBondContact O-N 2.86Å; D359-V361 VanDerWaalsContact C-N 3.34Å; D359-V361 PolarHBondContact O-N 3.03Å; D359-S362 PolarHBondContact O-N 3.12Å; D359-S363 WeakPolarHBondContact O-CB 3.43Å; D359-S363 PolarHBondContact O-N 3.01Å; D359-S363 PolarHBondContact O-OG 3.18Å; D359-Y519 HydrophobicContact CB-CE1 3.98Å
360	K	98.1	Very high	98.3	Very high	47 Å²	47	20.7 Å²	20.7	20%	0.204	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-39.1	-179.8	-166.9	64.1	160.4	-166.1	0	112.5	T273 Y275 E302 Q356 A358 S363 N365 V367	T273-K360 HydrophobicContact CG2-CG 4.47Å; T273-K360 WeakPolarHBondContact OG1-CE 3.3Å; Y275-K360 HydrophobicContact CE2-CB 4.48Å; E302-K360 VanDerWaalsContact OE1-CE 3.29Å; E302-K360 WeakPolarHBondContact OE1-CE 3.26Å; E302-K360 IonicContact OE1-NZ 2.73Å; E302-K360 PolarHBondContact OE1-NZ 2.81Å; Q356-K360 VanDerWaalsContact O-CB 3.23Å; Q356-K360 WeakPolarHBondContact O-CB 3.48Å; Q356-K360 PolarHBondContact O-N 3.42Å; Q356-K360 VanDerWaalsContact O-N 3.1Å; A358-K360 PolarHBondContact O-N 3.28Å; K360-S363 CarbonylContact O-C 3.58Å; K360-N365 HydrophobicContact CD-CB 4.06Å; K360-N365 HydrophobicContact CG-CB 4.03Å; K360-N365 WeakPolarHBondContact O-CB 3.29Å; K360-N365 PolarHBondContact O-N 3.37Å; K360-V367 HydrophobicContact CB-CG1 3.91Å; K360-V367 HydrophobicContact CG-CG1 3.61Å
361	V	97.9	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-76.3	-40.7	177.8	172.8	0	0	0	0	112.1	W228 N233 A235 I237 V357 A358 D359 S363 G364 N365 V367 L389	W228-V361 HydrophobicContact CE3-CG1 4.08Å; W228-V361 HydrophobicContact CZ3-CG1 3.65Å; N233-V361 PolarHBondContact ND2-O 3.18Å; A235-V361 HydrophobicContact CB-CG1 3.96Å; I237-V361 HydrophobicContact CG1-CG2 3.87Å; V357-V361 VanDerWaalsContact O-CG2 3.27Å; V357-V361 WeakPolarHBondContact O-CG2 3.39Å; V357-V361 PolarHBondContact O-N 2.96Å; A358-V361 PolarHBondContact O-N 3.31Å; D359-V361 VanDerWaalsContact C-N 3.34Å; D359-V361 PolarHBondContact O-N 3.03Å; V361-S363 PolarHBondContact O-N 3.41Å; V361-G364 PolarHBondContact O-N 2.92Å; V361-N365 WeakPolarHBondContact CA-O 3.17Å; V361-V367 HydrophobicContact CG2-CB 4.26Å; V361-V367 HydrophobicContact CG2-CG1 3.77Å; V361-V367 HydrophobicContact CG2-CG2 3.49Å; V361-V367 VanDerWaalsContact CG2-CG2 3.49Å; V361-L389 HydrophobicContact CB-CD1 4.18Å; V361-L389 HydrophobicContact CG1-CD1 3.94Å
362	S	96.4	Very high	98.2	Very high	40 Å²	40	21.3 Å²	21.3	28%	0.28	12%	0.124	S	C	.	.	H	α-helix	trans	-59.7	-36.9	171.6	-169.5	0	0	0	0	111	N233 A358 D359 G364 Y519	N233-S362 PolarHBondContact ND2-O 3.42Å; A358-S362 WeakPolarHBondContact O-CB 3.38Å; A358-S362 PolarHBondContact O-N 3.2Å; D359-S362 PolarHBondContact O-N 3.12Å; S362-G364 PolarHBondContact O-N 3.42Å; S362-Y519 WeakPolarHBondContact CB-OH 3.13Å; S362-Y519 PolarHBondContact OG-OH 2.67Å
363	S	95.8	Very high	98.1	Very high	75 Å²	75	21.5 Å²	21.5	52%	0.524	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	10.7	172.6	-61	0	0	0	0	114.2	D359 K360 V361 N365	D359-S363 WeakPolarHBondContact O-CB 3.43Å; D359-S363 PolarHBondContact O-N 3.01Å; D359-S363 PolarHBondContact O-OG 3.18Å; K360-S363 CarbonylContact O-C 3.58Å; V361-S363 PolarHBondContact O-N 3.41Å; S363-N365 PolarHBondContact O-ND2 2.86Å; S363-N365 VanDerWaalsContact O-ND2 3.14Å
364	G	96.6	Very high	98.1	Very high	8 Å²	8	21.4 Å²	21.4	8%	0.082	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	21.2	172.7	0	0	0	0	0	115.8	N233 N266 T268 V361 S362	N233-G364 WeakPolarHBondContact ND2-CA 3.42Å; N266-G364 PolarHBondContact ND2-O 3.44Å; T268-G364 PolarHBondContact OG1-O 2.96Å; V361-G364 PolarHBondContact O-N 2.92Å; S362-G364 PolarHBondContact O-N 3.42Å
365	N	97.5	Very high	98	Very high	41 Å²	41	21.7 Å²	21.7	22%	0.219	12%	0.122	C	C	.	.			trans	-110.7	130.7	174.9	-65.1	-92.2	0	0	0	110.6	K360 V361 S363	K360-N365 HydrophobicContact CD-CB 4.06Å; K360-N365 HydrophobicContact CG-CB 4.03Å; K360-N365 WeakPolarHBondContact O-CB 3.29Å; K360-N365 PolarHBondContact O-N 3.37Å; V361-N365 WeakPolarHBondContact CA-O 3.17Å; S363-N365 PolarHBondContact O-ND2 2.86Å; S363-N365 VanDerWaalsContact O-ND2 3.14Å
366	S	98.4	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.			trans	-71.8	146.3	175.4	-53	0	0	0	0	111.1	V236 N266 T269 T273	V236-S366 PolarHBondContact N-OG 2.67Å; N266-S366 WeakPolarHBondContact CB-OG 3.34Å; T269-S366 PolarHBondContact OG1-N 3.33Å; T269-S366 PolarHBondContact OG1-OG 3.15Å; T269-S366 VanDerWaalsContact OG1-OG 3.11Å; T273-S366 PolarHBondContact N-O 3.09Å
367	V	98.8	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.6	-175.4	-53.2	0	0	0	0	111.7	V236 I237 V238 T273 Y275 V357 K360 V361 V369	V236-V367 PolarHBondContact O-N 2.96Å; I237-V367 HydrophobicContact CB-CG2 4.37Å; I237-V367 HydrophobicContact CG1-CG2 3.99Å; I237-V367 HydrophobicContact CG2-CG2 4.46Å; V238-V367 PolarHBondContact N-O 3.46Å; T273-V367 CarbonylContact O-C 3.6Å; T273-V367 VanDerWaalsContact O-CA 3.26Å; T273-V367 WeakPolarHBondContact O-CA 3.47Å; Y275-V367 HydrophobicContact CD2-CB 4.19Å; Y275-V367 HydrophobicContact CD2-CG1 4.43Å; Y275-V367 HydrophobicContact CE2-CB 4.17Å; Y275-V367 HydrophobicContact CE2-CG1 3.91Å; V357-V367 HydrophobicContact CG1-CG2 3.98Å; K360-V367 HydrophobicContact CB-CG1 3.91Å; K360-V367 HydrophobicContact CG-CG1 3.61Å; V361-V367 HydrophobicContact CG2-CB 4.26Å; V361-V367 HydrophobicContact CG2-CG1 3.77Å; V361-V367 HydrophobicContact CG2-CG2 3.49Å; V361-V367 VanDerWaalsContact CG2-CG2 3.49Å; V367-V369 HydrophobicContact CG2-CG2 4.43Å
368	L	98.9	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.7	168.9	-176.8	158.2	0	0	0	108.5	P224 V238 C240 L259 L272 T273 I274 Y275 H370	P224-L368 HydrophobicContact CB-CD1 3.81Å; P224-L368 HydrophobicContact CG-CD1 3.95Å; V238-L368 HydrophobicContact CG1-CG 4.45Å; V238-L368 CarbonylContact O-C 3.53Å; V238-L368 WeakPolarHBondContact O-CA 3.21Å; C240-L368 WeakPolarHBondContact SG-CD2 3.29Å; L259-L368 HydrophobicContact CD1-CD1 4.25Å; L259-L368 HydrophobicContact CD2-CD1 3.43Å; L259-L368 VanDerWaalsContact CD2-CD1 3.43Å; L272-L368 HydrophobicContact CD2-CB 4.32Å; L272-L368 HydrophobicContact CG-CB 4.49Å; T273-L368 PolarHBondContact O-N 3.29Å; I274-L368 CarbonylContact C-O 3.54Å; I274-L368 WeakPolarHBondContact CA-O 3.49Å; I274-L368 HydrophobicContact CG1-CB 4.39Å; I274-L368 HydrophobicContact CG2-CD2 3.95Å; Y275-L368 PolarHBondContact N-O 3.43Å; L368-H370 HydrophobicContact CD2-CB 4.18Å
369	V	98.9	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.1	-179.9	-172.8	0	0	0	0	109.6	I237 V238 R239 C240 Y275 V357 V367 T378 L381 T382	I237-V369 HydrophobicContact CG2-CG2 4.28Å; V238-V369 PolarHBondContact O-N 3.45Å; R239-V369 WeakPolarHBondContact CA-O 3.49Å; C240-V369 PolarHBondContact N-O 3.4Å; Y275-V369 WeakPolarHBondContact O-CA 3.46Å; V357-V369 HydrophobicContact CG1-CG2 4.06Å; V357-V369 HydrophobicContact CG2-CG2 3.87Å; V367-V369 HydrophobicContact CG2-CG2 4.43Å; V369-T378 HydrophobicContact CG1-CG2 4.28Å; V369-T378 WeakPolarHBondContact O-CG2 3.35Å; V369-L381 HydrophobicContact CG1-CB 3.81Å; V369-L381 HydrophobicContact CG1-CD1 3.7Å; V369-L381 HydrophobicContact CG1-CG 4.44Å; V369-T382 HydrophobicContact CB-CG2 4.16Å; V369-T382 HydrophobicContact CG1-CG2 4.44Å; V369-T382 HydrophobicContact CG2-CG2 4.43Å
370	H	98.8	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	179	175.3	76.2	96.9	0	0	0	112.3	C240 Y275 D276 A277 E294 L368 T378	C240-H370 WeakPolarHBondContact O-CA 3.22Å; C240-H370 VanDerWaalsContact O-CB 3.22Å; C240-H370 WeakPolarHBondContact O-CB 3.22Å; Y275-H370 PolarHBondContact O-N 3.05Å; D276-H370 VanDerWaalsContact CG-CE1 3.48Å; D276-H370 IonicContact OD1-CE1 3.23Å; D276-H370 IonicContact OD2-CE1 2.81Å; D276-H370 PolarHBondContact OD2-CE1 2.98Å; A277-H370 WeakPolarHBondContact CB-O 3.33Å; A277-H370 PolarHBondContact N-O 2.88Å; E294-H370 IonicContact OE2-CE1 3.92Å; E294-H370 IonicContact OE2-NE2 3.17Å; E294-H370 PolarHBondContact OE2-NE2 2.82Å; L368-H370 HydrophobicContact CD2-CB 4.18Å; H370-T378 WeakPolarHBondContact CA-OG1 3.25Å
371	C	97.6	Very high	98.1	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.014	7%	0.073	C	C	.	.			trans	-148.3	-144.6	163.3	61.8	0	0	0	0	106.9	Q242 A277 R278 G374 R377 T378	Q242-C371 WeakPolarHBondContact CB-O 3.13Å; Q242-C371 PolarHBondContact N-O 3.33Å; A277-C371 HydrophobicContact CB-CB 3.86Å; R278-C371 HydrophobicContact CG-CB 4.3Å; C371-G374 PolarHBondContact SG-N 3.07Å; C371-G374 VanDerWaalsContact SG-N 3.44Å; C371-R377 HydrophobicContact CB-CB 4.38Å; C371-T378 PolarHBondContact N-OG1 3.39Å; C371-T378 PolarHBondContact SG-OG1 3.17Å
372	S	98.1	Very high	98.2	Very high	12 Å²	12	11.7 Å²	11.7	8%	0.084	7%	0.073	C	C	.	.	S	Bend	trans	-61.7	-73.6	171.2	-65.5	0	0	0	0	111.7	S241 Q242 R278 N286	S241-S372 WeakPolarHBondContact CB-O 3.35Å; Q242-S372 VanDerWaalsContact CG-O 3.31Å; Q242-S372 WeakPolarHBondContact CG-O 3.26Å; Q242-S372 PolarHBondContact N-O 3.46Å; R278-S372 WeakPolarHBondContact CD-OG 3.37Å; R278-S372 PolarHBondContact NH1-OG 2.87Å; N286-S372 PolarHBondContact ND2-OG 2.83Å; N286-S372 PolarHBondContact OD1-OG 2.87Å
373	D	97.6	Very high	98.3	Very high	36 Å²	36	9.8 Å²	9.8	19%	0.193	6%	0.06	C	C	.	.	S	Bend	trans	-94.1	-11.7	-176.3	-56.8	-97.9	0	0	0	114.6	R220 R222 W375	R220-D373 IonicContact CZ-OD1 2.74Å; R220-D373 IonicContact NE-OD1 3.26Å; R220-D373 PolarHBondContact NE-OD1 3.38Å; R220-D373 IonicContact NH2-OD1 3.46Å; R220-D373 PolarHBondContact NH2-OD1 3.03Å; R222-D373 WeakPolarHBondContact CD-O 3.42Å; R222-D373 PolarHBondContact NE-O 2.78Å; D373-W375 HydrophobicContact CB-CD2 3.64Å; D373-W375 HydrophobicContact CB-CE3 3.94Å; D373-W375 HydrophobicContact CB-CG 4.34Å; D373-W375 HydrophobicContact CB-CH2 3.68Å; D373-W375 HydrophobicContact CB-CZ2 3.34Å; D373-W375 HydrophobicContact CB-CZ3 3.97Å; D373-W375 VanDerWaalsContact CG-CZ2 3.4Å; D373-W375 WeakPolarHBondContact OD1-CH2 3.15Å; D373-W375 WeakPolarHBondContact OD1-CZ2 3.44Å
374	G	97.6	Very high	98.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	77.5	18.1	175.3	0	0	0	0	0	116.5	R222 R239 C240 C371 T378	R222-G374 PolarHBondContact NH2-O 3.44Å; R239-G374 PolarHBondContact NH2-O 3.02Å; C240-G374 VanDerWaalsContact O-CA 3.26Å; C240-G374 WeakPolarHBondContact O-CA 3.43Å; C371-G374 PolarHBondContact SG-N 3.07Å; C371-G374 VanDerWaalsContact SG-N 3.44Å; G374-T378 WeakPolarHBondContact CA-OG1 3.41Å
375	W	98.1	Very high	98.5	Very high	5 Å²	5	5.9 Å²	5.9	2%	0.019	3%	0.031	C	C	.	.	S	Bend	trans	-124.8	-10.3	179.4	59.7	52.1	0	0	0	115.7	T195 R220 D373 G411 H412 K413	T195-W375 HydrophobicContact CG2-CZ3 4.36Å; R220-W375 VanDerWaalsContact CD-CH2 3.49Å; R220-W375 VanDerWaalsContact CD-CZ3 3.43Å; D373-W375 HydrophobicContact CB-CD2 3.64Å; D373-W375 HydrophobicContact CB-CE3 3.94Å; D373-W375 HydrophobicContact CB-CG 4.34Å; D373-W375 HydrophobicContact CB-CH2 3.68Å; D373-W375 HydrophobicContact CB-CZ2 3.34Å; D373-W375 HydrophobicContact CB-CZ3 3.97Å; D373-W375 VanDerWaalsContact CG-CZ2 3.4Å; D373-W375 WeakPolarHBondContact OD1-CH2 3.15Å; D373-W375 WeakPolarHBondContact OD1-CZ2 3.44Å; W375-G411 VanDerWaalsContact CB-O 3.3Å; W375-G411 WeakPolarHBondContact CB-O 3.38Å; W375-H412 PolarHBondContact O-ND1 3.26Å; W375-K413 HydrophobicContact CD2-CD 4.44Å; W375-K413 HydrophobicContact CD2-CG 4.29Å; W375-K413 HydrophobicContact CH2-CD 4.14Å; W375-K413 VanDerWaalsContact CH2-NZ 3.29Å; W375-K413 HydrophobicContact CZ2-CD 3.71Å; W375-K413 HydrophobicContact CZ2-CG 4.44Å
376	D	98.7	Very high	98.6	Very high	8 Å²	8	3.9 Å²	3.9	4%	0.043	2%	0.02	C	C	.	.	S	Bend	trans	-100.3	-96.3	178.1	-69.9	-53.2	0	0	0	109.7	T378 A379 Q380 H412 R417 I433	D376-T378 PolarHBondContact O-N 3.18Å; D376-T378 VanDerWaalsContact O-N 3.13Å; D376-A379 WeakPolarHBondContact O-CB 3.46Å; D376-A379 PolarHBondContact O-N 3.07Å; D376-Q380 PolarHBondContact O-N 3.27Å; D376-H412 IonicContact OD1-CE1 3.97Å; D376-H412 PolarHBondContact OD1-CE1 3.49Å; D376-H412 IonicContact OD1-ND1 2.91Å; D376-R417 IonicContact OD1-CZ 2.92Å; D376-R417 IonicContact OD1-NE 2.63Å; D376-R417 PolarHBondContact OD1-NE 2.92Å; D376-R417 IonicContact OD1-NH2 3.19Å; D376-R417 IonicContact OD2-CZ 2.82Å; D376-R417 IonicContact OD2-NE 3.95Å; D376-R417 IonicContact OD2-NH2 2.66Å; D376-R417 PolarHBondContact OD2-NH2 2.97Å; D376-I433 HydrophobicContact CB-CG1 4.43Å; D376-I433 HydrophobicContact CB-CG2 3.97Å
377	R	98.8	Very high	98.6	Very high	19 Å²	19	3.9 Å²	3.9	7%	0.072	2%	0.02	C	C	.	.	H	α-helix	trans	-54.9	-33.1	179.5	-65.3	163.5	-74.4	-163.2	-3.7	113.8	A277 I308 Q309 C371 Q380 L381	A277-R377 HydrophobicContact CB-CB 3.52Å; A277-R377 HydrophobicContact CB-CG 4.38Å; I308-R377 HydrophobicContact CB-CG 4.25Å; I308-R377 HydrophobicContact CG2-CG 3.77Å; I308-R377 VanDerWaalsContact O-CD 3.23Å; I308-R377 WeakPolarHBondContact O-CD 3.4Å; I308-R377 PolarHBondContact O-NH1 3.31Å; Q309-R377 PolarHBondContact O-NH1 3.27Å; C371-R377 HydrophobicContact CB-CB 4.38Å; R377-Q380 WeakPolarHBondContact O-CB 3.46Å; R377-Q380 PolarHBondContact O-N 3.2Å; R377-L381 WeakPolarHBondContact O-CB 3.16Å; R377-L381 VanDerWaalsContact O-CG 3.29Å; R377-L381 WeakPolarHBondContact O-CG 3.24Å; R377-L381 PolarHBondContact O-N 3.29Å
378	T	98.9	Very high	98.6	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-63.2	-40.7	175.1	-53.3	0	0	0	0	111.9	R239 V369 H370 C371 G374 D376 T382	R239-T378 HydrophobicContact CB-CG2 3.82Å; V369-T378 HydrophobicContact CG1-CG2 4.28Å; V369-T378 WeakPolarHBondContact O-CG2 3.35Å; H370-T378 WeakPolarHBondContact CA-OG1 3.25Å; C371-T378 PolarHBondContact N-OG1 3.39Å; C371-T378 PolarHBondContact SG-OG1 3.17Å; G374-T378 WeakPolarHBondContact CA-OG1 3.41Å; D376-T378 PolarHBondContact O-N 3.18Å; D376-T378 VanDerWaalsContact O-N 3.13Å; T378-T382 HydrophobicContact CG2-CG2 4.44Å; T378-T382 WeakPolarHBondContact O-CG2 3.37Å; T378-T382 PolarHBondContact O-N 3.18Å; T378-T382 PolarHBondContact O-OG1 3.3Å
379	A	98.9	Very high	98.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-68.6	-37.1	176	0	0	0	0	0	111.6	D376 S383 W407	D376-A379 WeakPolarHBondContact O-CB 3.46Å; D376-A379 PolarHBondContact O-N 3.07Å; A379-S383 WeakPolarHBondContact O-CB 3.5Å; A379-S383 PolarHBondContact O-N 3.28Å; A379-S383 VanDerWaalsContact O-N 3.11Å; A379-S383 PolarHBondContact O-OG 3.33Å; A379-W407 HydrophobicContact CB-CD2 3.93Å; A379-W407 HydrophobicContact CB-CE3 4.05Å; A379-W407 HydrophobicContact CB-CH2 4.22Å; A379-W407 HydrophobicContact CB-CZ2 4.05Å; A379-W407 HydrophobicContact CB-CZ3 4.21Å
380	Q	98.9	Very high	98.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58	-56	172.4	-62.8	175.9	-46.5	0	0	111.1	V350 D376 R377 S383 L384 W407 I433 F437	V350-Q380 HydrophobicContact CG1-CB 3.97Å; D376-Q380 PolarHBondContact O-N 3.27Å; R377-Q380 WeakPolarHBondContact O-CB 3.46Å; R377-Q380 PolarHBondContact O-N 3.2Å; Q380-S383 PolarHBondContact O-N 2.95Å; Q380-L384 WeakPolarHBondContact O-CB 3.32Å; Q380-L384 WeakPolarHBondContact O-CD1 3.44Å; Q380-L384 VanDerWaalsContact O-CG 3.24Å; Q380-L384 WeakPolarHBondContact O-CG 3.38Å; Q380-L384 PolarHBondContact O-N 3.1Å; Q380-W407 HydrophobicContact CB-CZ2 4.46Å; Q380-W407 HydrophobicContact CG-CH2 3.56Å; Q380-W407 HydrophobicContact CG-CZ2 3.95Å; Q380-I433 HydrophobicContact CG-CG2 4.09Å; Q380-I433 PolarHBondContact NE2-O 3.16Å; Q380-F437 HydrophobicContact CG-CB 4.35Å
381	L	98.9	Very high	98.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63	-48.6	-175.9	-69.9	170.4	0	0	0	112.8	A277 L306 I308 A354 V369 R377 S383 A385	A277-L381 HydrophobicContact CB-CD1 3.57Å; L306-L381 HydrophobicContact CD1-CD1 3.58Å; L306-L381 HydrophobicContact CD1-CD2 3.98Å; L306-L381 HydrophobicContact CD1-CG 4.45Å; I308-L381 HydrophobicContact CD1-CD1 4.18Å; I308-L381 HydrophobicContact CD1-CD2 3.9Å; I308-L381 HydrophobicContact CD1-CG 4.19Å; A354-L381 HydrophobicContact CB-CD2 4.35Å; A354-L381 VanDerWaalsContact N-CD2 3.34Å; V369-L381 HydrophobicContact CG1-CB 3.81Å; V369-L381 HydrophobicContact CG1-CD1 3.7Å; V369-L381 HydrophobicContact CG1-CG 4.44Å; R377-L381 WeakPolarHBondContact O-CB 3.16Å; R377-L381 VanDerWaalsContact O-CG 3.29Å; R377-L381 WeakPolarHBondContact O-CG 3.24Å; R377-L381 PolarHBondContact O-N 3.29Å; L381-S383 PolarHBondContact O-N 3.11Å; L381-A385 VanDerWaalsContact O-CB 3.29Å; L381-A385 WeakPolarHBondContact O-CB 3.24Å; L381-A385 PolarHBondContact O-N 3.34Å
382	T	98.9	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.6	-40.3	-179.5	58.6	0	0	0	0	111.9	I237 R239 V369 T378 M386 E406	I237-T382 HydrophobicContact CG2-CG2 3.77Å; R239-T382 HydrophobicContact CB-CG2 4.1Å; V369-T382 HydrophobicContact CB-CG2 4.16Å; V369-T382 HydrophobicContact CG1-CG2 4.44Å; V369-T382 HydrophobicContact CG2-CG2 4.43Å; T378-T382 HydrophobicContact CG2-CG2 4.44Å; T378-T382 WeakPolarHBondContact O-CG2 3.37Å; T378-T382 PolarHBondContact O-N 3.18Å; T378-T382 PolarHBondContact O-OG1 3.3Å; T382-M386 WeakPolarHBondContact O-CB 3.26Å; T382-M386 VanDerWaalsContact O-CE 3.26Å; T382-M386 WeakPolarHBondContact O-CE 3.35Å; T382-M386 PolarHBondContact O-N 2.9Å; T382-E406 WeakPolarHBondContact CB-OE2 3.24Å; T382-E406 PolarHBondContact OG1-OE2 3.25Å
383	S	98.9	Very high	98.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.6	-44.5	179.8	-55.8	0	0	0	0	112.4	A379 Q380 L381 M386 L387 E406 W407 F437	A379-S383 WeakPolarHBondContact O-CB 3.5Å; A379-S383 PolarHBondContact O-N 3.28Å; A379-S383 VanDerWaalsContact O-N 3.11Å; A379-S383 PolarHBondContact O-OG 3.33Å; Q380-S383 PolarHBondContact O-N 2.95Å; L381-S383 PolarHBondContact O-N 3.11Å; S383-M386 PolarHBondContact O-N 3.14Å; S383-L387 WeakPolarHBondContact O-CG 3.36Å; S383-L387 PolarHBondContact O-N 2.9Å; S383-E406 VanDerWaalsContact OG-CB 3.29Å; S383-E406 WeakPolarHBondContact OG-CB 3.44Å; S383-W407 PolarHBondContact OG-NE1 2.99Å; S383-F437 VanDerWaalsContact CB-CE2 3.42Å
384	L	98.9	Very high	98.5	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-68.4	-42.4	179.8	-69.5	168.8	0	0	0	111.5	V350 L351 A354 Q380 M386 L387 M388 F437 C440 V441 M444	V350-L384 HydrophobicContact CG1-CD1 3.51Å; L351-L384 HydrophobicContact CD2-CD1 4.49Å; A354-L384 HydrophobicContact CB-CB 3.43Å; A354-L384 VanDerWaalsContact CB-CB 3.43Å; A354-L384 HydrophobicContact CB-CD1 4.25Å; A354-L384 HydrophobicContact CB-CG 4.5Å; Q380-L384 WeakPolarHBondContact O-CB 3.32Å; Q380-L384 WeakPolarHBondContact O-CD1 3.44Å; Q380-L384 VanDerWaalsContact O-CG 3.24Å; Q380-L384 WeakPolarHBondContact O-CG 3.38Å; Q380-L384 PolarHBondContact O-N 3.1Å; L384-M386 VanDerWaalsContact C-N 3.3Å; L384-M386 PolarHBondContact O-N 2.94Å; L384-L387 HydrophobicContact CD2-CD1 4.44Å; L384-L387 PolarHBondContact O-N 3.24Å; L384-M388 HydrophobicContact CB-CE 4.28Å; L384-M388 WeakPolarHBondContact O-CG 3.25Å; L384-M388 PolarHBondContact O-N 2.66Å; L384-F437 HydrophobicContact CD1-CD2 4.41Å; L384-F437 HydrophobicContact CD2-CD2 3.87Å; L384-F437 HydrophobicContact CD2-CE2 3.83Å; L384-F437 HydrophobicContact CG-CD2 3.84Å; L384-F437 HydrophobicContact CG-CE2 3.95Å; L384-C440 HydrophobicContact CD1-CB 3.67Å; L384-C440 HydrophobicContact CD2-CB 3.69Å; L384-C440 HydrophobicContact CG-CB 4.35Å; L384-V441 HydrophobicContact CD2-CG2 4.01Å; L384-M444 HydrophobicContact CD2-CE 3.53Å
385	A	98.9	Very high	98.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62	-38.2	174.3	0	0	0	0	0	112	I237 V357 A358 L381 M388 L389	I237-A385 HydrophobicContact CD1-CB 3.91Å; V357-A385 HydrophobicContact CB-CB 3.92Å; V357-A385 HydrophobicContact CG1-CB 3.48Å; V357-A385 VanDerWaalsContact CG1-CB 3.48Å; A358-A385 HydrophobicContact CB-CB 4.28Å; L381-A385 VanDerWaalsContact O-CB 3.29Å; L381-A385 WeakPolarHBondContact O-CB 3.24Å; L381-A385 PolarHBondContact O-N 3.34Å; A385-M388 WeakPolarHBondContact O-CB 3.42Å; A385-M388 PolarHBondContact O-N 3.23Å; A385-L389 WeakPolarHBondContact O-CB 3.43Å; A385-L389 WeakPolarHBondContact O-CD1 3.35Å; A385-L389 VanDerWaalsContact O-CG 3.25Å; A385-L389 WeakPolarHBondContact O-CG 3.26Å; A385-L389 PolarHBondContact O-N 2.82Å
386	M	98.8	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65.7	-36.5	173.3	-90.2	-172.9	-74.3	0	0	113.7	S227 W228 I237 T382 S383 L384 M388 L389 D390 Y393 L402 E406	S227-M386 WeakPolarHBondContact OG-CE 3.46Å; W228-M386 HydrophobicContact CB-CG 3.7Å; W228-M386 HydrophobicContact CB-SD 3.68Å; W228-M386 HydrophobicContact CG-CG 3.73Å; W228-M386 HydrophobicContact CG-SD 4Å; I237-M386 HydrophobicContact CD1-CG 4.44Å; T382-M386 WeakPolarHBondContact O-CB 3.26Å; T382-M386 VanDerWaalsContact O-CE 3.26Å; T382-M386 WeakPolarHBondContact O-CE 3.35Å; T382-M386 PolarHBondContact O-N 2.9Å; S383-M386 PolarHBondContact O-N 3.14Å; L384-M386 VanDerWaalsContact C-N 3.3Å; L384-M386 PolarHBondContact O-N 2.94Å; M386-M388 VanDerWaalsContact C-N 3.32Å; M386-L389 PolarHBondContact O-N 2.96Å; M386-D390 PolarHBondContact O-N 3.12Å; M386-Y393 HydrophobicContact CB-CD2 3.72Å; M386-Y393 HydrophobicContact CB-CE2 3.67Å; M386-Y393 HydrophobicContact CG-CD2 4.28Å; M386-Y393 HydrophobicContact CG-CE2 3.72Å; M386-Y393 HydrophobicContact SD-CD2 4.35Å; M386-Y393 HydrophobicContact SD-CE2 3.4Å; M386-Y393 WeakPolarHBondContact SD-CE2 3.37Å; M386-Y393 PolarHBondContact SD-OH 3.37Å; M386-L402 HydrophobicContact CB-CD1 4.08Å; M386-L402 HydrophobicContact CE-CD1 3.83Å; M386-L402 HydrophobicContact SD-CD1 4.16Å; M386-E406 VanDerWaalsContact CE-CD 3.45Å; M386-E406 HydrophobicContact CE-CG 3.32Å
387	L	98.6	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.3	-37.2	173.4	-73.2	165.3	0	0	0	112.1	S383 L384 Y393 R394 F399 L402 F437 V441 M444 F452	S383-L387 WeakPolarHBondContact O-CG 3.36Å; S383-L387 PolarHBondContact O-N 2.9Å; L384-L387 HydrophobicContact CD2-CD1 4.44Å; L384-L387 PolarHBondContact O-N 3.24Å; L387-Y393 WeakPolarHBondContact CD2-O 3.42Å; L387-R394 HydrophobicContact CD2-CG 4.31Å; L387-R394 PolarHBondContact O-NE 3.15Å; L387-F399 HydrophobicContact CD1-CD2 4.5Å; L387-F399 HydrophobicContact CD1-CE2 4.13Å; L387-F399 HydrophobicContact CD2-CD2 4.07Å; L387-F399 HydrophobicContact CD2-CE2 4.5Å; L387-L402 HydrophobicContact CD1-CD2 3.81Å; L387-L402 HydrophobicContact CD2-CD2 3.77Å; L387-L402 HydrophobicContact CG-CD2 3.54Å; L387-F437 HydrophobicContact CD1-CE2 4.24Å; L387-F437 HydrophobicContact CD1-CZ 4.28Å; L387-V441 HydrophobicContact CD1-CG2 3.67Å; L387-M444 HydrophobicContact CB-CE 3.97Å; L387-M444 HydrophobicContact CD1-CE 3.83Å; L387-F452 HydrophobicContact CD2-CE1 4.28Å
388	M	98.6	Very high	98.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.2	-49.8	174	-67.1	169.6	-161.2	0	0	110.7	L351 A354 I355 A358 L384 A385 M386 R394 M444 V517 L518 P520	L351-M388 HydrophobicContact CD2-CE 4.26Å; A354-M388 HydrophobicContact CB-CE 3.7Å; A354-M388 HydrophobicContact CB-SD 4.39Å; I355-M388 HydrophobicContact CG1-CE 3.98Å; I355-M388 HydrophobicContact CG1-SD 4.03Å; A358-M388 HydrophobicContact CB-CB 3.93Å; A358-M388 HydrophobicContact CB-SD 3.88Å; L384-M388 HydrophobicContact CB-CE 4.28Å; L384-M388 WeakPolarHBondContact O-CG 3.25Å; L384-M388 PolarHBondContact O-N 2.66Å; A385-M388 WeakPolarHBondContact O-CB 3.42Å; A385-M388 PolarHBondContact O-N 3.23Å; M386-M388 VanDerWaalsContact C-N 3.32Å; M388-R394 PolarHBondContact O-NH2 2.99Å; M388-M444 HydrophobicContact CE-SD 3.85Å; M388-M444 HydrophobicContact CG-SD 4.11Å; M388-V517 WeakPolarHBondContact O-CA 3.29Å; M388-L518 VanDerWaalsContact CB-O 3.24Å; M388-L518 WeakPolarHBondContact CB-O 3.42Å; M388-L518 VanDerWaalsContact CG-O 3.25Å; M388-L518 WeakPolarHBondContact CG-O 3.37Å; M388-L518 PolarHBondContact O-N 3.11Å; M388-P520 HydrophobicContact CE-CG 3.74Å; M388-P520 HydrophobicContact SD-CG 4.47Å
389	L	98.2	Very high	98.5	Very high	10 Å²	10	11.1 Å²	11.1	5%	0.052	5%	0.053	C	C	.	.	H	α-helix	trans	-79.2	-39.6	-172	-68.9	165.8	0	0	0	115.3	W228 I237 A358 V361 A385 M386 V517	W228-L389 HydrophobicContact CE3-CD1 3.95Å; W228-L389 HydrophobicContact CH2-CB 3.82Å; W228-L389 HydrophobicContact CH2-CD1 4.21Å; W228-L389 HydrophobicContact CH2-CG 4.42Å; W228-L389 HydrophobicContact CZ2-CB 4.04Å; W228-L389 HydrophobicContact CZ3-CB 4.19Å; W228-L389 HydrophobicContact CZ3-CD1 3.71Å; W228-L389 HydrophobicContact CZ3-CG 4.39Å; I237-L389 HydrophobicContact CD1-CD1 3.81Å; A358-L389 HydrophobicContact CB-CD1 4.4Å; A358-L389 HydrophobicContact CB-CD2 4.34Å; A358-L389 HydrophobicContact CB-CG 4.08Å; V361-L389 HydrophobicContact CB-CD1 4.18Å; V361-L389 HydrophobicContact CG1-CD1 3.94Å; A385-L389 WeakPolarHBondContact O-CB 3.43Å; A385-L389 WeakPolarHBondContact O-CD1 3.35Å; A385-L389 VanDerWaalsContact O-CG 3.25Å; A385-L389 WeakPolarHBondContact O-CG 3.26Å; A385-L389 PolarHBondContact O-N 2.82Å; M386-L389 PolarHBondContact O-N 2.96Å; L389-V517 HydrophobicContact CD2-CG1 4.07Å; L389-V517 HydrophobicContact CD2-CG2 4.2Å
390	D	97.7	Very high	98.5	Very high	20 Å²	20	11.1 Å²	11.1	11%	0.107	5%	0.053	C	C	.	.			trans	-122.7	103.3	-165.5	-173.7	-11	0	0	0	111.3	R173 W228 M386 H392 Y393	R173-D390 IonicContact CZ-OD2 2.91Å; R173-D390 VanDerWaalsContact CZ-OD2 3.26Å; R173-D390 IonicContact NH1-OD1 2.73Å; R173-D390 PolarHBondContact NH1-OD1 2.79Å; R173-D390 IonicContact NH1-OD2 3.34Å; R173-D390 PolarHBondContact NH1-OD2 3.13Å; R173-D390 IonicContact NH2-OD2 3.55Å; R173-D390 PolarHBondContact NH2-OD2 3.14Å; W228-D390 HydrophobicContact CZ2-CB 3.9Å; W228-D390 PolarHBondContact NE1-OD2 2.95Å; M386-D390 PolarHBondContact O-N 3.12Å; D390-H392 PolarHBondContact O-N 2.69Å; D390-H392 WeakPolarHBondContact OD1-CB 3.44Å; D390-H392 PolarHBondContact OD1-N 3.26Å; D390-Y393 HydrophobicContact CB-CD2 3.77Å; D390-Y393 HydrophobicContact CB-CE2 4.04Å; D390-Y393 PolarHBondContact O-N 3.44Å
391	S	97.1	Very high	98.5	Very high	25 Å²	25	11.8 Å²	11.8	18%	0.175	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-55.7	-20.7	179.3	60.4	0	0	0	0	114.2	Y393 R394 E513	S391-Y393 VanDerWaalsContact C-N 3.31Å; S391-Y393 PolarHBondContact O-N 2.85Å; S391-R394 PolarHBondContact O-N 2.89Å; S391-R394 VanDerWaalsContact O-N 3.15Å; S391-E513 WeakPolarHBondContact CB-O 3.43Å
392	H	97.4	Very high	98.5	Very high	56 Å²	56	11.8 Å²	11.8	26%	0.259	6%	0.057	S	C	.	.	G	3₁₀ helix	trans	-56	-46.8	172.4	175.8	65.2	0	0	0	111.3	R173 D390 R394 T395 G398	R173-H392 VanDerWaalsContact CZ-CD2 3.41Å; R173-H392 PolarHBondContact NE-CD2 2.86Å; R173-H392 VanDerWaalsContact NE-CD2 3.29Å; R173-H392 VanDerWaalsContact NH1-CB 3.28Å; D390-H392 PolarHBondContact O-N 2.69Å; D390-H392 WeakPolarHBondContact OD1-CB 3.44Å; D390-H392 PolarHBondContact OD1-N 3.26Å; H392-R394 PolarHBondContact O-N 3.44Å; H392-R394 VanDerWaalsContact O-N 3.16Å; H392-T395 WeakPolarHBondContact O-CB 3.49Å; H392-T395 WeakPolarHBondContact O-CG2 3.22Å; H392-T395 PolarHBondContact O-N 3Å; H392-T395 PolarHBondContact O-OG1 2.78Å; H392-G398 WeakPolarHBondContact O-CA 3.44Å
393	Y	98.5	Very high	98.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-71.2	-9.8	-176.8	-59.8	-58.8	0	0	0	113.9	E170 Q174 W228 M386 L387 D390 S391 G398 F399 V401 L402	E170-Y393 PolarHBondContact OE1-OH 2.74Å; Q174-Y393 PolarHBondContact NE2-OH 2.75Å; Q174-Y393 VanDerWaalsContact NE2-OH 3.15Å; W228-Y393 AromaticContact CD1-CE2 3.9Å; M386-Y393 HydrophobicContact CB-CD2 3.72Å; M386-Y393 HydrophobicContact CB-CE2 3.67Å; M386-Y393 HydrophobicContact CG-CD2 4.28Å; M386-Y393 HydrophobicContact CG-CE2 3.72Å; M386-Y393 HydrophobicContact SD-CD2 4.35Å; M386-Y393 HydrophobicContact SD-CE2 3.4Å; M386-Y393 WeakPolarHBondContact SD-CE2 3.37Å; M386-Y393 PolarHBondContact SD-OH 3.37Å; L387-Y393 WeakPolarHBondContact CD2-O 3.42Å; D390-Y393 HydrophobicContact CB-CD2 3.77Å; D390-Y393 HydrophobicContact CB-CE2 4.04Å; D390-Y393 PolarHBondContact O-N 3.44Å; S391-Y393 VanDerWaalsContact C-N 3.31Å; S391-Y393 PolarHBondContact O-N 2.85Å; Y393-G398 WeakPolarHBondContact CD1-O 3.39Å; Y393-F399 WeakPolarHBondContact O-CA 3.3Å; Y393-F399 WeakPolarHBondContact O-CB 3.15Å; Y393-F399 PolarHBondContact O-N 3.01Å; Y393-V401 HydrophobicContact CE1-CG1 4.31Å; Y393-L402 HydrophobicContact CD1-CB 3.79Å; Y393-L402 HydrophobicContact CD1-CD1 3.95Å; Y393-L402 HydrophobicContact CD1-CG 4.4Å; Y393-L402 HydrophobicContact CD2-CD1 4.23Å; Y393-L402 HydrophobicContact CE1-CB 4.31Å; Y393-L402 HydrophobicContact CE1-CD1 4.04Å; Y393-L402 HydrophobicContact CE2-CD1 4.32Å; Y393-L402 HydrophobicContact CG-CB 4.28Å; Y393-L402 HydrophobicContact CG-CD1 4.02Å
394	R	98.4	Very high	98.5	Very high	2 Å²	2	12 Å²	12	1%	0.008	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-87.1	-10.4	172.7	-51.1	-176	-142.4	137.2	6.9	113	L387 M388 S391 H392 A451 F452 E453 Q516	L387-R394 HydrophobicContact CD2-CG 4.31Å; L387-R394 PolarHBondContact O-NE 3.15Å; M388-R394 PolarHBondContact O-NH2 2.99Å; S391-R394 PolarHBondContact O-N 2.89Å; S391-R394 VanDerWaalsContact O-N 3.15Å; H392-R394 PolarHBondContact O-N 3.44Å; H392-R394 VanDerWaalsContact O-N 3.16Å; R394-A451 WeakPolarHBondContact CB-O 3.49Å; R394-A451 WeakPolarHBondContact CD-O 3.46Å; R394-F452 HydrophobicContact CB-CD1 3.75Å; R394-F452 HydrophobicContact CB-CE1 4.17Å; R394-F452 HydrophobicContact CB-CG 4.35Å; R394-F452 HydrophobicContact CG-CD1 3.9Å; R394-F452 HydrophobicContact CG-CE1 3.78Å; R394-F452 HydrophobicContact CG-CZ 4.43Å; R394-E453 PolarHBondContact O-N 2.87Å; R394-Q516 PolarHBondContact NH1-O 2.78Å; R394-Q516 PolarHBondContact NH2-O 3.3Å
395	T	98.3	Very high	98.5	Very high	27 Å²	27	12 Å²	12	17%	0.166	6%	0.058	C	C	.	.	S	Bend	trans	-69.6	154.2	167	68.4	0	0	0	0	110.5	H392 R397 G398 F399 E453	H392-T395 WeakPolarHBondContact O-CB 3.49Å; H392-T395 WeakPolarHBondContact O-CG2 3.22Å; H392-T395 PolarHBondContact O-N 3Å; H392-T395 PolarHBondContact O-OG1 2.78Å; T395-R397 VanDerWaalsContact C-N 3.31Å; T395-R397 PolarHBondContact O-N 3.43Å; T395-G398 PolarHBondContact O-N 3.47Å; T395-G398 WeakPolarHBondContact OG1-CA 3.17Å; T395-G398 PolarHBondContact OG1-N 3.11Å; T395-F399 WeakPolarHBondContact O-CB 3.31Å; T395-F399 PolarHBondContact O-N 3.17Å; T395-E453 WeakPolarHBondContact CA-OE2 3.38Å; T395-E453 VanDerWaalsContact CB-OE2 3.3Å; T395-E453 WeakPolarHBondContact CB-OE2 3.47Å
396	L	98.4	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-55.8	-45.4	177.8	173.5	57.7	0	0	0	111.1	Q400 E453 F454 L458 V498 M502 L506	L396-Q400 VanDerWaalsContact O-CG 3.28Å; L396-Q400 WeakPolarHBondContact O-CG 3.35Å; L396-Q400 PolarHBondContact O-N 2.81Å; L396-Q400 PolarHBondContact O-NE2 3.42Å; L396-E453 WeakPolarHBondContact CB-OE2 3.43Å; L396-E453 PolarHBondContact N-OE2 3.34Å; L396-F454 HydrophobicContact CD1-CB 4.2Å; L396-L458 HydrophobicContact CD1-CD1 3.98Å; L396-L458 HydrophobicContact CD1-CD2 3.53Å; L396-L458 HydrophobicContact CD1-CG 4.33Å; L396-V498 HydrophobicContact CD1-CG1 3.96Å; L396-M502 HydrophobicContact CD2-CB 4.07Å; L396-M502 HydrophobicContact CD2-CE 3.89Å; L396-M502 HydrophobicContact CD2-CG 3.93Å; L396-L506 HydrophobicContact CB-CD2 4.39Å; L396-L506 HydrophobicContact CD2-CD2 3.92Å; L396-L506 HydrophobicContact CD2-CG 4.48Å
397	R	98.4	Very high	98.5	Very high	94 Å²	94	12 Å²	12	36%	0.355	6%	0.058	S	C	.	.	H	α-helix	trans	-75.1	-38.7	177.1	-70.8	-176.2	179.7	-89	-3.6	112.7	E159 T395 F399 Q400 V401 N499	E159-R397 IonicContact OE1-CZ 3.51Å; E159-R397 IonicContact OE1-NH1 2.82Å; E159-R397 PolarHBondContact OE1-NH1 2.87Å; E159-R397 IonicContact OE1-NH2 3.2Å; E159-R397 IonicContact OE2-CZ 3.41Å; E159-R397 IonicContact OE2-NH1 2.73Å; E159-R397 PolarHBondContact OE2-NH1 3.25Å; E159-R397 IonicContact OE2-NH2 3.57Å; E159-R397 PolarHBondContact OE2-NH2 3.05Å; T395-R397 VanDerWaalsContact C-N 3.31Å; T395-R397 PolarHBondContact O-N 3.43Å; R397-F399 VanDerWaalsContact C-N 3.3Å; R397-F399 PolarHBondContact O-N 2.82Å; R397-Q400 WeakPolarHBondContact O-CB 3.36Å; R397-Q400 PolarHBondContact O-N 3.17Å; R397-V401 WeakPolarHBondContact O-CG2 3.38Å; R397-V401 PolarHBondContact O-N 3.13Å; R397-N499 PolarHBondContact NH1-ND2 3.43Å
398	G	98.6	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.5	-34.2	177.1	0	0	0	0	0	112.8	H392 Y393 T395 Q400 V401 L402	H392-G398 WeakPolarHBondContact O-CA 3.44Å; Y393-G398 WeakPolarHBondContact CD1-O 3.39Å; T395-G398 PolarHBondContact O-N 3.47Å; T395-G398 WeakPolarHBondContact OG1-CA 3.17Å; T395-G398 PolarHBondContact OG1-N 3.11Å; G398-Q400 VanDerWaalsContact C-N 3.34Å; G398-V401 WeakPolarHBondContact O-CB 3.45Å; G398-V401 PolarHBondContact O-N 2.75Å; G398-L402 WeakPolarHBondContact O-CB 3.44Å; G398-L402 PolarHBondContact O-N 2.73Å
399	F	98.9	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.4	-37	173.9	-169.8	-123.2	0	0	0	112.3	L387 Y393 T395 R397 L402 I403 F437 I438 V441 F454 L458 L459 I462	L387-F399 HydrophobicContact CD1-CD2 4.5Å; L387-F399 HydrophobicContact CD1-CE2 4.13Å; L387-F399 HydrophobicContact CD2-CD2 4.07Å; L387-F399 HydrophobicContact CD2-CE2 4.5Å; Y393-F399 WeakPolarHBondContact O-CA 3.3Å; Y393-F399 WeakPolarHBondContact O-CB 3.15Å; Y393-F399 PolarHBondContact O-N 3.01Å; T395-F399 WeakPolarHBondContact O-CB 3.31Å; T395-F399 PolarHBondContact O-N 3.17Å; R397-F399 VanDerWaalsContact C-N 3.3Å; R397-F399 PolarHBondContact O-N 2.82Å; F399-L402 HydrophobicContact CD2-CD2 4.23Å; F399-L402 HydrophobicContact CE2-CD2 4.45Å; F399-L402 WeakPolarHBondContact O-CB 3.41Å; F399-L402 PolarHBondContact O-N 2.73Å; F399-I403 HydrophobicContact CD1-CD1 4.01Å; F399-I403 HydrophobicContact CE1-CD1 3.7Å; F399-I403 HydrophobicContact CE2-CD1 4.39Å; F399-I403 HydrophobicContact CG-CD1 4.49Å; F399-I403 HydrophobicContact CZ-CD1 3.91Å; F399-I403 WeakPolarHBondContact O-CG1 3.43Å; F399-I403 PolarHBondContact O-N 2.91Å; F399-I403 VanDerWaalsContact O-N 3.09Å; F399-F437 HydrophobicContact CE2-CE1 4.24Å; F399-F437 AromaticContact CE2-CZ 3.99Å; F399-F437 HydrophobicContact CE2-CZ 3.99Å; F399-F437 HydrophobicContact CZ-CE1 4.25Å; F399-F437 HydrophobicContact CZ-CZ 4.43Å; F399-I438 HydrophobicContact CE1-CD1 4.33Å; F399-I438 HydrophobicContact CZ-CD1 3.84Å; F399-V441 HydrophobicContact CE2-CG1 4.09Å; F399-V441 HydrophobicContact CE2-CG2 4Å; F399-V441 HydrophobicContact CZ-CB 4.48Å; F399-V441 HydrophobicContact CZ-CG1 4.01Å; F399-V441 HydrophobicContact CZ-CG2 4.13Å; F399-F454 HydrophobicContact CB-CD1 3.9Å; F399-F454 HydrophobicContact CB-CE1 3.57Å; F399-F454 HydrophobicContact CB-CZ 4.42Å; F399-F454 HydrophobicContact CD1-CD1 4.23Å; F399-F454 AromaticContact CD1-CE1 3.92Å; F399-F454 HydrophobicContact CD1-CE1 3.92Å; F399-F454 HydrophobicContact CD1-CE2 4.5Å; F399-F454 HydrophobicContact CD1-CZ 4.05Å; F399-F454 AromaticContact CD2-CE1 3.92Å; F399-F454 HydrophobicContact CD2-CE1 3.92Å; F399-F454 AromaticContact CD2-CZ 3.98Å; F399-F454 HydrophobicContact CD2-CZ 3.98Å; F399-F454 HydrophobicContact CE1-CE2 4.49Å; F399-F454 HydrophobicContact CE1-CZ 4.27Å; F399-F454 HydrophobicContact CE2-CZ 4.23Å; F399-F454 HydrophobicContact CG-CD1 4.13Å; F399-F454 AromaticContact CG-CE1 3.54Å; F399-F454 HydrophobicContact CG-CE1 3.54Å; F399-F454 AromaticContact CG-CZ 3.9Å; F399-F454 HydrophobicContact CG-CZ 3.9Å; F399-F454 HydrophobicContact CZ-CZ 4.36Å; F399-L458 HydrophobicContact CD1-CD2 3.94Å; F399-L458 HydrophobicContact CE1-CD2 4.47Å; F399-L459 HydrophobicContact CE1-CD2 3.64Å; F399-L459 HydrophobicContact CZ-CD2 3.98Å; F399-I462 HydrophobicContact CD1-CD1 4.2Å; F399-I462 HydrophobicContact CE1-CD1 3.74Å
400	Q	98.9	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-44.7	172	-60.8	167.4	17.3	0	0	110.9	V164 L396 R397 G398 L402 I403 E404 W495 N499	V164-Q400 HydrophobicContact CG1-CB 4.27Å; V164-Q400 HydrophobicContact CG2-CB 3.93Å; L396-Q400 VanDerWaalsContact O-CG 3.28Å; L396-Q400 WeakPolarHBondContact O-CG 3.35Å; L396-Q400 PolarHBondContact O-N 2.81Å; L396-Q400 PolarHBondContact O-NE2 3.42Å; R397-Q400 WeakPolarHBondContact O-CB 3.36Å; R397-Q400 PolarHBondContact O-N 3.17Å; G398-Q400 VanDerWaalsContact C-N 3.34Å; Q400-L402 VanDerWaalsContact C-N 3.34Å; Q400-L402 PolarHBondContact O-N 2.8Å; Q400-I403 PolarHBondContact O-N 3.07Å; Q400-E404 WeakPolarHBondContact O-CB 3.38Å; Q400-E404 PolarHBondContact O-N 2.86Å; Q400-W495 HydrophobicContact CB-CD2 4.02Å; Q400-W495 HydrophobicContact CB-CE3 4.28Å; Q400-W495 HydrophobicContact CB-CG 4.34Å; Q400-W495 HydrophobicContact CG-CD2 3.79Å; Q400-W495 HydrophobicContact CG-CE3 3.56Å; Q400-W495 HydrophobicContact CG-CG 4.31Å; Q400-W495 HydrophobicContact CG-CH2 4.41Å; Q400-W495 HydrophobicContact CG-CZ3 3.9Å; Q400-N499 PolarHBondContact NE2-OD1 3.44Å; Q400-N499 PolarHBondContact OE1-ND2 3.03Å; Q400-N499 PolarHBondContact OE1-OD1 3.14Å
401	V	98.9	Very high	98.6	Very high	13 Å²	13	10.9 Å²	10.9	8%	0.079	5%	0.052	C	C	.	.	H	α-helix	trans	-58	-44	172.9	168.5	0	0	0	0	111.7	V164 Y165 E170 Y393 R397 G398 I403 E404 K405	V164-V401 HydrophobicContact CG2-CG2 4.29Å; V164-V401 VanDerWaalsContact O-CG2 3.29Å; V164-V401 WeakPolarHBondContact O-CG2 3.28Å; Y165-V401 HydrophobicContact CD2-CG1 4.04Å; E170-V401 HydrophobicContact CG-CG1 4.21Å; Y393-V401 HydrophobicContact CE1-CG1 4.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.38Å; R397-V401 PolarHBondContact O-N 3.13Å; G398-V401 WeakPolarHBondContact O-CB 3.45Å; G398-V401 PolarHBondContact O-N 2.75Å; V401-I403 VanDerWaalsContact C-N 3.35Å; V401-I403 PolarHBondContact O-N 3.13Å; V401-E404 PolarHBondContact O-N 2.82Å; V401-K405 WeakPolarHBondContact O-CB 3.5Å; V401-K405 PolarHBondContact O-N 3.01Å
402	L	98.9	Very high	98.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60	-44	178.9	-175.3	69.6	0	0	0	111.8	M386 L387 Y393 G398 F399 Q400 E406 F437	M386-L402 HydrophobicContact CB-CD1 4.08Å; M386-L402 HydrophobicContact CE-CD1 3.83Å; M386-L402 HydrophobicContact SD-CD1 4.16Å; L387-L402 HydrophobicContact CD1-CD2 3.81Å; L387-L402 HydrophobicContact CD2-CD2 3.77Å; L387-L402 HydrophobicContact CG-CD2 3.54Å; Y393-L402 HydrophobicContact CD1-CB 3.79Å; Y393-L402 HydrophobicContact CD1-CD1 3.95Å; Y393-L402 HydrophobicContact CD1-CG 4.4Å; Y393-L402 HydrophobicContact CD2-CD1 4.23Å; Y393-L402 HydrophobicContact CE1-CB 4.31Å; Y393-L402 HydrophobicContact CE1-CD1 4.04Å; Y393-L402 HydrophobicContact CE2-CD1 4.32Å; Y393-L402 HydrophobicContact CG-CB 4.28Å; Y393-L402 HydrophobicContact CG-CD1 4.02Å; G398-L402 WeakPolarHBondContact O-CB 3.44Å; G398-L402 PolarHBondContact O-N 2.73Å; F399-L402 HydrophobicContact CD2-CD2 4.23Å; F399-L402 HydrophobicContact CE2-CD2 4.45Å; F399-L402 WeakPolarHBondContact O-CB 3.41Å; F399-L402 PolarHBondContact O-N 2.73Å; Q400-L402 VanDerWaalsContact C-N 3.34Å; Q400-L402 PolarHBondContact O-N 2.8Å; L402-E406 HydrophobicContact CD1-CG 4.06Å; L402-E406 WeakPolarHBondContact O-CB 3.37Å; L402-E406 PolarHBondContact O-N 3Å; L402-F437 HydrophobicContact CD2-CZ 4.34Å
403	I	98.9	Very high	98.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-68.5	-47.8	178.2	-67.1	166.8	0	0	0	110.8	F399 Q400 V401 K405 W407 I408 F434 F437 I462 F474 W495	F399-I403 HydrophobicContact CD1-CD1 4.01Å; F399-I403 HydrophobicContact CE1-CD1 3.7Å; F399-I403 HydrophobicContact CE2-CD1 4.39Å; F399-I403 HydrophobicContact CG-CD1 4.49Å; F399-I403 HydrophobicContact CZ-CD1 3.91Å; F399-I403 WeakPolarHBondContact O-CG1 3.43Å; F399-I403 PolarHBondContact O-N 2.91Å; F399-I403 VanDerWaalsContact O-N 3.09Å; Q400-I403 PolarHBondContact O-N 3.07Å; V401-I403 VanDerWaalsContact C-N 3.35Å; V401-I403 PolarHBondContact O-N 3.13Å; I403-K405 VanDerWaalsContact C-N 3.25Å; I403-K405 PolarHBondContact O-N 3.45Å; I403-W407 WeakPolarHBondContact O-CB 3.05Å; I403-W407 PolarHBondContact O-N 3.21Å; I403-I408 HydrophobicContact CG2-CD1 4.15Å; I403-I408 PolarHBondContact O-N 3.11Å; I403-F434 HydrophobicContact CD1-CZ 4.16Å; I403-F434 HydrophobicContact CG1-CE2 4.39Å; I403-F434 HydrophobicContact CG1-CZ 4.28Å; I403-F434 HydrophobicContact CG2-CE2 4.29Å; I403-F434 HydrophobicContact CG2-CZ 4.02Å; I403-F437 HydrophobicContact CG1-CE1 4.38Å; I403-I462 HydrophobicContact CD1-CD1 4.07Å; I403-F474 HydrophobicContact CG2-CE1 3.8Å; I403-F474 HydrophobicContact CG2-CZ 4.28Å; I403-W495 HydrophobicContact CB-CZ2 4.23Å; I403-W495 HydrophobicContact CD1-CH2 3.96Å; I403-W495 HydrophobicContact CD1-CZ2 4.48Å; I403-W495 HydrophobicContact CG2-CH2 4.36Å; I403-W495 HydrophobicContact CG2-CZ2 3.95Å
404	E	98.9	Very high	98.8	Very high	5 Å²	5	8.9 Å²	8.9	2%	0.023	4%	0.039	C	C	.	.	I	π-helix	trans	-59.1	-37.2	176.4	-77	-65.8	157.4	0	0	112.3	V164 Y165 Q400 V401 I408 S409 W495	V164-E404 HydrophobicContact CG1-CG 4.01Å; Y165-E404 VanDerWaalsContact CB-CB 3.44Å; Y165-E404 HydrophobicContact CD1-CB 3.71Å; Y165-E404 HydrophobicContact CG-CB 3.74Å; Q400-E404 WeakPolarHBondContact O-CB 3.38Å; Q400-E404 PolarHBondContact O-N 2.86Å; V401-E404 PolarHBondContact O-N 2.82Å; E404-I408 HydrophobicContact CG-CD1 4.4Å; E404-I408 WeakPolarHBondContact O-CB 3.33Å; E404-I408 WeakPolarHBondContact OE1-CD1 3.36Å; E404-I408 WeakPolarHBondContact OE2-CG2 3.27Å; E404-S409 WeakPolarHBondContact O-CB 3.41Å; E404-S409 PolarHBondContact O-N 3.2Å; E404-W495 PolarHBondContact OE1-NE1 3.24Å
405	K	98.9	Very high	98.8	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	5%	0.05	C	C	.	.	I	π-helix	trans	-76.1	-72	178	-178.4	168.6	163.1	-69.1	0	112.1	Y165 E170 S227 V401 I403 W407 S409 F410	Y165-K405 HydrophobicContact CD2-CB 4.33Å; Y165-K405 HydrophobicContact CE1-CB 4.33Å; Y165-K405 HydrophobicContact CE2-CB 3.78Å; Y165-K405 HydrophobicContact CE2-CD 4.08Å; Y165-K405 HydrophobicContact CE2-CG 4.11Å; E170-K405 HydrophobicContact CG-CD 3.73Å; S227-K405 WeakPolarHBondContact O-CE 3.38Å; S227-K405 PolarHBondContact O-NZ 3.48Å; V401-K405 WeakPolarHBondContact O-CB 3.5Å; V401-K405 PolarHBondContact O-N 3.01Å; I403-K405 VanDerWaalsContact C-N 3.25Å; I403-K405 PolarHBondContact O-N 3.45Å; K405-W407 PolarHBondContact O-N 2.97Å; K405-S409 PolarHBondContact O-N 2.9Å; K405-S409 PolarHBondContact O-OG 3.03Å; K405-F410 WeakPolarHBondContact O-CD2 3.44Å; K405-F410 PolarHBondContact O-N 3.19Å
406	E	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-76.8	-22.6	-165.1	-70	-56.6	108.6	0	0	115.4	S227 R239 T382 S383 M386 L402 F410	S227-E406 PolarHBondContact OG-OE1 3.31Å; S227-E406 PolarHBondContact OG-OE2 2.91Å; R239-E406 WeakPolarHBondContact CD-OE2 3.36Å; R239-E406 IonicContact CZ-OE2 2.67Å; R239-E406 IonicContact NE-OE2 3.28Å; R239-E406 PolarHBondContact NH1-O 3.35Å; R239-E406 IonicContact NH1-OE2 3.53Å; R239-E406 PolarHBondContact NH1-OE2 3.03Å; T382-E406 WeakPolarHBondContact CB-OE2 3.24Å; T382-E406 PolarHBondContact OG1-OE2 3.25Å; S383-E406 VanDerWaalsContact OG-CB 3.29Å; S383-E406 WeakPolarHBondContact OG-CB 3.44Å; M386-E406 VanDerWaalsContact CE-CD 3.45Å; M386-E406 HydrophobicContact CE-CG 3.32Å; L402-E406 HydrophobicContact CD1-CG 4.06Å; L402-E406 WeakPolarHBondContact O-CB 3.37Å; L402-E406 PolarHBondContact O-N 3Å; E406-F410 WeakPolarHBondContact O-CB 3.48Å
407	W	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-104.4	-54.4	-179.4	-67	81.8	0	0	0	110.9	A379 Q380 S383 I403 K405 G411 H412 F414 I433 F434 F437	A379-W407 HydrophobicContact CB-CD2 3.93Å; A379-W407 HydrophobicContact CB-CE3 4.05Å; A379-W407 HydrophobicContact CB-CH2 4.22Å; A379-W407 HydrophobicContact CB-CZ2 4.05Å; A379-W407 HydrophobicContact CB-CZ3 4.21Å; Q380-W407 HydrophobicContact CB-CZ2 4.46Å; Q380-W407 HydrophobicContact CG-CH2 3.56Å; Q380-W407 HydrophobicContact CG-CZ2 3.95Å; S383-W407 PolarHBondContact OG-NE1 2.99Å; I403-W407 WeakPolarHBondContact O-CB 3.05Å; I403-W407 PolarHBondContact O-N 3.21Å; K405-W407 PolarHBondContact O-N 2.97Å; W407-G411 PolarHBondContact O-N 3.45Å; W407-H412 HydrophobicContact CB-CB 4.36Å; W407-H412 HydrophobicContact CE3-CB 3.81Å; W407-H412 AromaticContact CE3-CD2 3.71Å; W407-H412 AromaticContact CE3-CG 3.47Å; W407-H412 VanDerWaalsContact CE3-CG 3.47Å; W407-H412 AromaticContact CE3-ND1 3.8Å; W407-H412 AromaticContact CZ3-CD2 3.97Å; W407-H412 AromaticContact CZ3-CE1 3.77Å; W407-H412 AromaticContact CZ3-CG 3.81Å; W407-H412 AromaticContact CZ3-ND1 3.68Å; W407-H412 AromaticContact CZ3-NE2 3.95Å; W407-H412 WeakPolarHBondContact O-CB 3.49Å; W407-H412 PolarHBondContact O-N 3.1Å; W407-F414 HydrophobicContact CB-CE2 3.93Å; W407-F414 HydrophobicContact CB-CZ 3.92Å; W407-F414 HydrophobicContact CE3-CZ 4.37Å; W407-I433 HydrophobicContact CH2-CG2 4.15Å; W407-I433 HydrophobicContact CZ3-CG2 4.1Å; W407-F434 AromaticContact CD2-CD2 3.55Å; W407-F434 HydrophobicContact CD2-CD2 3.55Å; W407-F434 AromaticContact CD2-CE2 3.83Å; W407-F434 HydrophobicContact CD2-CE2 3.83Å; W407-F434 AromaticContact CE2-CD2 3.9Å; W407-F434 HydrophobicContact CE3-CB 4.37Å; W407-F434 AromaticContact CE3-CD2 3.46Å; W407-F434 HydrophobicContact CE3-CD2 3.46Å; W407-F434 VanDerWaalsContact CE3-CD2 3.46Å; W407-F434 HydrophobicContact CE3-CE2 4.18Å; W407-F434 HydrophobicContact CE3-CG 4.34Å; W407-F434 HydrophobicContact CG-CD2 4.15Å; W407-F434 AromaticContact CG-CE2 3.96Å; W407-F434 HydrophobicContact CG-CE2 3.96Å; W407-F434 HydrophobicContact CH2-CD2 4.03Å; W407-F434 HydrophobicContact CZ2-CD2 4.15Å; W407-F434 HydrophobicContact CZ3-CB 4Å; W407-F434 AromaticContact CZ3-CD2 3.7Å; W407-F434 HydrophobicContact CZ3-CD2 3.7Å; W407-F434 HydrophobicContact CZ3-CG 4.35Å; W407-F437 AromaticContact CE2-CD1 3.78Å; W407-F437 AromaticContact CE2-CG 3.88Å; W407-F437 HydrophobicContact CH2-CB 3.63Å; W407-F437 HydrophobicContact CH2-CD1 4.49Å; W407-F437 HydrophobicContact CH2-CG 4.09Å; W407-F437 HydrophobicContact CZ2-CB 3.37Å; W407-F437 AromaticContact CZ2-CD1 3.67Å; W407-F437 HydrophobicContact CZ2-CD1 3.67Å; W407-F437 AromaticContact CZ2-CD2 3.79Å; W407-F437 HydrophobicContact CZ2-CD2 3.79Å; W407-F437 HydrophobicContact CZ2-CE1 4.4Å; W407-F437 AromaticContact CZ2-CG 3.31Å; W407-F437 HydrophobicContact CZ2-CG 3.31Å; W407-F437 AromaticContact NE1-CD1 3.82Å; W407-F437 AromaticContact NE1-CE1 3.68Å; W407-F437 AromaticContact NE1-CZ 3.86Å
408	I	98.9	Very high	98.8	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.01	4%	0.039	C	C	.	.	I	π-helix	trans	-75.6	-61.8	-173.9	-73.5	166.3	0	0	0	111.5	I403 E404 F410 G411 F414 T473 F474	I403-I408 HydrophobicContact CG2-CD1 4.15Å; I403-I408 PolarHBondContact O-N 3.11Å; E404-I408 HydrophobicContact CG-CD1 4.4Å; E404-I408 WeakPolarHBondContact O-CB 3.33Å; E404-I408 WeakPolarHBondContact OE1-CD1 3.36Å; E404-I408 WeakPolarHBondContact OE2-CG2 3.27Å; I408-F410 VanDerWaalsContact C-N 3.31Å; I408-F410 PolarHBondContact O-N 2.91Å; I408-G411 PolarHBondContact O-N 2.84Å; I408-G411 VanDerWaalsContact O-N 3.12Å; I408-F414 HydrophobicContact CG1-CE2 3.85Å; I408-T473 HydrophobicContact CD1-CG2 3.83Å; I408-T473 WeakPolarHBondContact CD1-O 3.23Å; I408-F474 HydrophobicContact CD1-CD1 4.42Å; I408-F474 HydrophobicContact CD1-CE1 4.34Å
409	S	98.8	Very high	98.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-68.4	-33.1	-174.3	84.2	0	0	0	0	112.2	P197 E404 K405 G411	P197-S409 WeakPolarHBondContact CD-O 3.44Å; E404-S409 WeakPolarHBondContact O-CB 3.41Å; E404-S409 PolarHBondContact O-N 3.2Å; K405-S409 PolarHBondContact O-N 2.9Å; K405-S409 PolarHBondContact O-OG 3.03Å; S409-G411 PolarHBondContact O-N 3.39Å
410	F	98.8	Very high	98.7	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.018	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	6.4	174.8	-91.2	-72.4	0	0	0	115	T195 Y196 P197 R222 V225 R239 K405 E406 I408	T195-F410 CarbonylContact O-C 3.55Å; Y196-F410 AromaticContact CD1-CD1 3.84Å; Y196-F410 HydrophobicContact CD1-CD1 3.84Å; Y196-F410 HydrophobicContact CD1-CE1 4.1Å; Y196-F410 AromaticContact CE1-CD1 3.71Å; Y196-F410 HydrophobicContact CE1-CD1 3.71Å; Y196-F410 AromaticContact CE1-CE1 3.87Å; Y196-F410 HydrophobicContact CE1-CE1 3.87Å; Y196-F410 HydrophobicContact CE2-CE1 4.37Å; Y196-F410 HydrophobicContact CG-CE1 4.44Å; P197-F410 HydrophobicContact CG-CE1 4.38Å; P197-F410 HydrophobicContact CG-CE2 4.36Å; P197-F410 HydrophobicContact CG-CZ 4.25Å; R222-F410 PolarHBondContact NH1-O 3.02Å; R222-F410 PolarHBondContact NH2-O 3.48Å; V225-F410 HydrophobicContact CG2-CE1 3.46Å; V225-F410 VanDerWaalsContact CG2-CE1 3.46Å; V225-F410 HydrophobicContact CG2-CZ 3.61Å; R239-F410 HydrophobicContact CG-CD1 4.48Å; R239-F410 HydrophobicContact CG-CE1 4.13Å; R239-F410 HydrophobicContact CG-CZ 4.4Å; K405-F410 WeakPolarHBondContact O-CD2 3.44Å; K405-F410 PolarHBondContact O-N 3.19Å; E406-F410 WeakPolarHBondContact O-CB 3.48Å; I408-F410 VanDerWaalsContact C-N 3.31Å; I408-F410 PolarHBondContact O-N 2.91Å
411	G	98.8	Very high	98.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	40.7	165.3	0	0	0	0	0	115.6	W375 W407 I408 S409 K413 N477	W375-G411 VanDerWaalsContact CB-O 3.3Å; W375-G411 WeakPolarHBondContact CB-O 3.38Å; W407-G411 PolarHBondContact O-N 3.45Å; I408-G411 PolarHBondContact O-N 2.84Å; I408-G411 VanDerWaalsContact O-N 3.12Å; S409-G411 PolarHBondContact O-N 3.39Å; G411-K413 PolarHBondContact O-N 3.11Å; G411-N477 CarbonylContact C-O 3.59Å; G411-N477 WeakPolarHBondContact CA-O 3.36Å
412	H	98.9	Very high	98.6	Very high	3 Å²	3	8.8 Å²	8.8	1%	0.014	5%	0.051	C	C	.	.			trans	-61.7	129.3	160.7	-175.3	68.4	0	0	0	109.5	W375 D376 W407 F414	W375-H412 PolarHBondContact O-ND1 3.26Å; D376-H412 IonicContact OD1-CE1 3.97Å; D376-H412 PolarHBondContact OD1-CE1 3.49Å; D376-H412 IonicContact OD1-ND1 2.91Å; W407-H412 HydrophobicContact CB-CB 4.36Å; W407-H412 HydrophobicContact CE3-CB 3.81Å; W407-H412 AromaticContact CE3-CD2 3.71Å; W407-H412 AromaticContact CE3-CG 3.47Å; W407-H412 VanDerWaalsContact CE3-CG 3.47Å; W407-H412 AromaticContact CE3-ND1 3.8Å; W407-H412 AromaticContact CZ3-CD2 3.97Å; W407-H412 AromaticContact CZ3-CE1 3.77Å; W407-H412 AromaticContact CZ3-CG 3.81Å; W407-H412 AromaticContact CZ3-ND1 3.68Å; W407-H412 AromaticContact CZ3-NE2 3.95Å; W407-H412 WeakPolarHBondContact O-CB 3.49Å; W407-H412 PolarHBondContact O-N 3.1Å; H412-F414 HydrophobicContact CB-CD2 4.21Å; H412-F414 HydrophobicContact CB-CE2 3.99Å; H412-F414 AromaticContact CD2-CD1 3.9Å; H412-F414 AromaticContact CD2-CD2 3.82Å; H412-F414 AromaticContact CD2-CE1 3.93Å; H412-F414 AromaticContact CD2-CE2 3.84Å; H412-F414 AromaticContact CD2-CG 3.85Å; H412-F414 AromaticContact CD2-CZ 3.9Å; H412-F414 WeakPolarHBondContact O-CD2 3.46Å; H412-F414 PolarHBondContact O-N 2.94Å
413	K	98.6	Very high	98.5	Very high	34 Å²	34	13.4 Å²	13.4	15%	0.148	7%	0.071	C	C	.	.			trans	-77.4	59.3	-172.2	-68.2	-169.2	163	-178.3	0	113.5	W375 G411 A415 S416 R417 N477	W375-K413 HydrophobicContact CD2-CD 4.44Å; W375-K413 HydrophobicContact CD2-CG 4.29Å; W375-K413 HydrophobicContact CH2-CD 4.14Å; W375-K413 VanDerWaalsContact CH2-NZ 3.29Å; W375-K413 HydrophobicContact CZ2-CD 3.71Å; W375-K413 HydrophobicContact CZ2-CG 4.44Å; G411-K413 PolarHBondContact O-N 3.11Å; K413-A415 VanDerWaalsContact C-N 3.33Å; K413-A415 PolarHBondContact O-N 2.96Å; K413-S416 PolarHBondContact O-N 3.03Å; K413-S416 VanDerWaalsContact O-N 3.17Å; K413-R417 HydrophobicContact CB-CG 4.3Å; K413-R417 VanDerWaalsContact O-CB 3.31Å; K413-R417 WeakPolarHBondContact O-CB 3.45Å; K413-R417 WeakPolarHBondContact O-CG 3.14Å; K413-R417 PolarHBondContact O-N 3.02Å; K413-N477 WeakPolarHBondContact CA-OD1 3.3Å; K413-N477 HydrophobicContact CB-CB 4.33Å; K413-N477 WeakPolarHBondContact CB-OD1 3.41Å; K413-N477 HydrophobicContact CG-CB 4.14Å; K413-N477 PolarHBondContact O-OD1 3.32Å
414	F	98.9	Very high	98.4	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-51.8	-47.7	-176.3	-77.1	-81.2	0	0	0	113	W407 I408 H412 S416 R417 I418 F434 L466 F474	W407-F414 HydrophobicContact CB-CE2 3.93Å; W407-F414 HydrophobicContact CB-CZ 3.92Å; W407-F414 HydrophobicContact CE3-CZ 4.37Å; I408-F414 HydrophobicContact CG1-CE2 3.85Å; H412-F414 HydrophobicContact CB-CD2 4.21Å; H412-F414 HydrophobicContact CB-CE2 3.99Å; H412-F414 AromaticContact CD2-CD1 3.9Å; H412-F414 AromaticContact CD2-CD2 3.82Å; H412-F414 AromaticContact CD2-CE1 3.93Å; H412-F414 AromaticContact CD2-CE2 3.84Å; H412-F414 AromaticContact CD2-CG 3.85Å; H412-F414 AromaticContact CD2-CZ 3.9Å; H412-F414 WeakPolarHBondContact O-CD2 3.46Å; H412-F414 PolarHBondContact O-N 2.94Å; F414-S416 PolarHBondContact O-N 2.99Å; F414-R417 PolarHBondContact O-N 3.31Å; F414-I418 VanDerWaalsContact O-CB 3.29Å; F414-I418 WeakPolarHBondContact O-CB 3.13Å; F414-I418 VanDerWaalsContact O-CG1 3.26Å; F414-I418 WeakPolarHBondContact O-CG1 3.14Å; F414-I418 PolarHBondContact O-N 3.41Å; F414-F434 HydrophobicContact CE1-CB 4.02Å; F414-F434 AromaticContact CE1-CD1 3.73Å; F414-F434 HydrophobicContact CE1-CD1 3.73Å; F414-F434 HydrophobicContact CE1-CD2 4.02Å; F414-F434 HydrophobicContact CE1-CE1 4.12Å; F414-F434 HydrophobicContact CE1-CE2 4.38Å; F414-F434 AromaticContact CE1-CG 3.66Å; F414-F434 HydrophobicContact CE1-CG 3.66Å; F414-F434 HydrophobicContact CE1-CZ 4.42Å; F414-F434 HydrophobicContact CZ-CD1 4.4Å; F414-F434 AromaticContact CZ-CD2 4Å; F414-F434 HydrophobicContact CZ-CD2 4Å; F414-F434 HydrophobicContact CZ-CE2 4.12Å; F414-F434 HydrophobicContact CZ-CG 4.13Å; F414-F434 HydrophobicContact CZ-CZ 4.37Å; F414-L466 HydrophobicContact CD1-CD1 3.6Å; F414-L466 HydrophobicContact CE1-CD1 3.73Å; F414-F474 WeakPolarHBondContact CB-O 3.4Å; F414-F474 HydrophobicContact CD1-CB 4.11Å; F414-F474 AromaticContact CD1-CD1 3.88Å; F414-F474 HydrophobicContact CD1-CD1 3.88Å; F414-F474 HydrophobicContact CD1-CG 4.33Å; F414-F474 HydrophobicContact CE1-CB 4.5Å; F414-F474 AromaticContact CE1-CD1 3.44Å; F414-F474 HydrophobicContact CE1-CD1 3.44Å; F414-F474 VanDerWaalsContact CE1-CD1 3.44Å; F414-F474 AromaticContact CE1-CE1 3.97Å; F414-F474 HydrophobicContact CE1-CE1 3.97Å; F414-F474 HydrophobicContact CE1-CG 4.23Å; F414-F474 HydrophobicContact CE2-CD1 4.13Å; F414-F474 HydrophobicContact CG-CB 4.4Å; F414-F474 HydrophobicContact CG-CD1 4.4Å; F414-F474 AromaticContact CZ-CD1 3.58Å; F414-F474 HydrophobicContact CZ-CD1 3.58Å; F414-F474 AromaticContact CZ-CE1 3.89Å; F414-F474 HydrophobicContact CZ-CE1 3.89Å
415	A	98.4	Very high	98.2	Very high	28 Å²	28	20.8 Å²	20.8	23%	0.231	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-43.6	179.8	0	0	0	0	0	113.2	K413 G419 H420 Y476 N477	K413-A415 VanDerWaalsContact C-N 3.33Å; K413-A415 PolarHBondContact O-N 2.96Å; A415-G419 VanDerWaalsContact O-CA 3.3Å; A415-G419 WeakPolarHBondContact O-CA 3.44Å; A415-G419 PolarHBondContact O-N 3.2Å; A415-H420 WeakPolarHBondContact CA-ND1 3.5Å; A415-Y476 PolarHBondContact N-O 3.12Å; A415-Y476 VanDerWaalsContact N-O 3.17Å; A415-N477 WeakPolarHBondContact CB-OD1 3.29Å; A415-N477 PolarHBondContact N-OD1 3.49Å; A415-N477 VanDerWaalsContact N-OD1 3.14Å
416	S	98.3	Very high	98.1	Very high	28 Å²	28	23.3 Å²	23.3	20%	0.196	13%	0.129	C	C	.	.	H	α-helix	trans	-73.4	-38.7	177	-60.6	0	0	0	0	112.8	K413 F414 I418 N477	K413-S416 PolarHBondContact O-N 3.03Å; K413-S416 VanDerWaalsContact O-N 3.17Å; F414-S416 PolarHBondContact O-N 2.99Å; S416-I418 VanDerWaalsContact C-N 3.35Å; S416-I418 PolarHBondContact O-N 3.18Å; S416-N477 PolarHBondContact N-OD1 3.46Å; S416-N477 VanDerWaalsContact N-OD1 3.13Å; S416-N477 PolarHBondContact OG-ND2 3.12Å
417	R	98.7	Very high	98	Very high	10 Å²	10	25.5 Å²	25.5	4%	0.038	14%	0.14	C	C	.	.	H	α-helix	trans	-69.9	-31.5	-178.3	-67	-76.5	172.1	-92.3	0.1	112.4	D376 K413 F414 D429 R430 S431	D376-R417 IonicContact OD1-CZ 2.92Å; D376-R417 IonicContact OD1-NE 2.63Å; D376-R417 PolarHBondContact OD1-NE 2.92Å; D376-R417 IonicContact OD1-NH2 3.19Å; D376-R417 IonicContact OD2-CZ 2.82Å; D376-R417 IonicContact OD2-NE 3.95Å; D376-R417 IonicContact OD2-NH2 2.66Å; D376-R417 PolarHBondContact OD2-NH2 2.97Å; K413-R417 HydrophobicContact CB-CG 4.3Å; K413-R417 VanDerWaalsContact O-CB 3.31Å; K413-R417 WeakPolarHBondContact O-CB 3.45Å; K413-R417 WeakPolarHBondContact O-CG 3.14Å; K413-R417 PolarHBondContact O-N 3.02Å; F414-R417 PolarHBondContact O-N 3.31Å; R417-D429 IonicContact CZ-OD1 2.77Å; R417-D429 PolarHBondContact NH1-O 2.68Å; R417-D429 IonicContact NH1-OD1 3.49Å; R417-D429 PolarHBondContact NH1-OD1 3.32Å; R417-D429 IonicContact NH2-OD1 2.77Å; R417-R430 CarbonylContact O-C 3.53Å; R417-R430 WeakPolarHBondContact O-CA 3.37Å; R417-S431 PolarHBondContact O-N 3.37Å
418	I	98.3	Very high	97.9	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.062	16%	0.164	C	C	.	.	H	α-helix	trans	-103.6	-24.4	-176.4	-54.3	-58.7	0	0	0	113.2	K112 F414 S416 H420 L466 Y467	K112-I418 HydrophobicContact CD-CG2 4.46Å; K112-I418 WeakPolarHBondContact CE-O 3.35Å; K112-I418 PolarHBondContact NZ-O 2.95Å; F414-I418 VanDerWaalsContact O-CB 3.29Å; F414-I418 WeakPolarHBondContact O-CB 3.13Å; F414-I418 VanDerWaalsContact O-CG1 3.26Å; F414-I418 WeakPolarHBondContact O-CG1 3.14Å; F414-I418 PolarHBondContact O-N 3.41Å; S416-I418 VanDerWaalsContact C-N 3.35Å; S416-I418 PolarHBondContact O-N 3.18Å; I418-H420 WeakPolarHBondContact CG2-NE2 3.37Å; I418-L466 HydrophobicContact CD1-CD1 3.98Å; I418-L466 HydrophobicContact CD1-CD2 3.78Å; I418-L466 HydrophobicContact CD1-CG 3.83Å; I418-L466 HydrophobicContact CG1-CD1 3.94Å; I418-L466 HydrophobicContact CG1-CG 4.13Å; I418-Y467 HydrophobicContact CD1-CE1 3.98Å; I418-Y467 HydrophobicContact CG2-CD1 3.54Å; I418-Y467 HydrophobicContact CG2-CE1 3.89Å
419	G	98.1	Very high	97.8	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.031	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	59	-174.7	0	0	0	0	0	111.8	K112 A415 G421	K112-G419 PolarHBondContact NZ-O 3.37Å; A415-G419 VanDerWaalsContact O-CA 3.3Å; A415-G419 WeakPolarHBondContact O-CA 3.44Å; A415-G419 PolarHBondContact O-N 3.2Å; G419-G421 PolarHBondContact O-N 3.24Å
420	H	98.3	Very high	97.8	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.046	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	119.7	178.9	-64.4	120.7	0	0	0	110.7	L142 A415 I418 D422 L466 C469 F474 L475	L142-H420 WeakPolarHBondContact CD1-O 3.22Å; A415-H420 WeakPolarHBondContact CA-ND1 3.5Å; I418-H420 WeakPolarHBondContact CG2-NE2 3.37Å; H420-D422 PolarHBondContact O-N 3.33Å; H420-D422 VanDerWaalsContact O-N 3.08Å; H420-L466 PolarHBondContact NE2-O 2.9Å; H420-C469 PolarHBondContact CD2-SG 3.36Å; H420-F474 PolarHBondContact CE1-O 3.25Å; H420-L475 HydrophobicContact CB-CD2 4.38Å
421	G	97.1	Very high	97.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	18.1	176.6	0	0	0	0	0	116.6	F140 L142 S143 G419	F140-G421 CarbonylContact C-O 3.55Å; F140-G421 WeakPolarHBondContact CA-O 3.43Å; L142-G421 WeakPolarHBondContact CB-O 3.48Å; L142-G421 PolarHBondContact N-O 3.34Å; L142-G421 VanDerWaalsContact N-O 3.11Å; S143-G421 PolarHBondContact N-O 2.85Å; G419-G421 PolarHBondContact O-N 3.24Å
422	D	97.5	Very high	97.8	Very high	43 Å²	43	34.8 Å²	34.8	23%	0.23	19%	0.186	C	C	.	.			trans	-108.7	130.5	178.3	165.7	42.3	0	0	0	111.7	F140 S143 H420 N424 R430	F140-D422 WeakPolarHBondContact CD1-O 3.49Å; S143-D422 WeakPolarHBondContact OG-CA 3.42Å; S143-D422 PolarHBondContact OG-OD1 3.43Å; H420-D422 PolarHBondContact O-N 3.33Å; H420-D422 VanDerWaalsContact O-N 3.08Å; D422-N424 VanDerWaalsContact C-N 3.31Å; D422-N424 PolarHBondContact O-N 3.12Å; D422-N424 PolarHBondContact OD1-N 3.43Å; D422-N424 WeakPolarHBondContact OD2-CB 3.29Å; D422-N424 PolarHBondContact OD2-N 3Å; D422-R430 VanDerWaalsContact CG-NH2 3.35Å; D422-R430 PolarHBondContact O-NH2 3.47Å; D422-R430 IonicContact OD2-CZ 2.76Å; D422-R430 IonicContact OD2-NH2 3.8Å; D422-R430 PolarHBondContact OD2-NH2 3.07Å
423	K	96.9	Very high	97.8	Very high	97 Å²	97	34.8 Å²	34.8	42%	0.422	19%	0.186	S	C	.	.			trans	-72.8	-14.6	179.2	72.6	-169.3	170.3	-166	0	114.5	F136 F140 S143 H425	F136-K423 HydrophobicContact CE1-CD 4.02Å; F136-K423 HydrophobicContact CZ-CB 3.94Å; F136-K423 HydrophobicContact CZ-CD 3.91Å; F136-K423 HydrophobicContact CZ-CG 4.45Å; F140-K423 HydrophobicContact CB-CB 3.92Å; F140-K423 HydrophobicContact CD1-CB 4.2Å; F140-K423 HydrophobicContact CD2-CB 3.78Å; F140-K423 HydrophobicContact CE2-CB 4.38Å; F140-K423 HydrophobicContact CG-CB 3.68Å; S143-K423 WeakPolarHBondContact OG-CG 3.34Å; S143-K423 PolarHBondContact OG-N 3.44Å; K423-H425 PolarHBondContact O-N 3.25Å
424	N	97.6	Very high	97.8	Very high	79 Å²	79	33.3 Å²	33.3	42%	0.422	18%	0.18	S	C	.	.			trans	-75.5	72.7	-178.6	-173.5	16	0	0	0	112.6	D422 A426 D427 R430	D422-N424 VanDerWaalsContact C-N 3.31Å; D422-N424 PolarHBondContact O-N 3.12Å; D422-N424 PolarHBondContact OD1-N 3.43Å; D422-N424 WeakPolarHBondContact OD2-CB 3.29Å; D422-N424 PolarHBondContact OD2-N 3Å; N424-A426 PolarHBondContact O-N 2.93Å; N424-A426 PolarHBondContact OD1-N 3.33Å; N424-D427 WeakPolarHBondContact O-CB 3.48Å; N424-D427 PolarHBondContact O-N 3.32Å; N424-D427 VanDerWaalsContact O-N 3.11Å; N424-D427 PolarHBondContact OD1-N 3.33Å; N424-R430 PolarHBondContact O-NE 3.34Å; N424-R430 VanDerWaalsContact O-NE 3.13Å; N424-R430 PolarHBondContact O-NH2 2.88Å; N424-R430 VanDerWaalsContact O-NH2 3.1Å
425	H	95	Very high	97.8	Very high	81 Å²	81	33.2 Å²	33.2	38%	0.375	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.6	177.8	73.4	76.6	0	0	0	114.6	S89 R90 K423	S89-H425 WeakPolarHBondContact O-CB 3.24Å; R90-H425 HydrophobicContact CB-CB 4.3Å; R90-H425 PolarHBondContact NE-CE1 2.95Å; R90-H425 VanDerWaalsContact NE-CE1 3.31Å; R90-H425 PolarHBondContact NE-NE2 3.37Å; K423-H425 PolarHBondContact O-N 3.25Å
426	A	96.4	Very high	97.8	Very high	54 Å²	54	31.9 Å²	31.9	45%	0.446	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.7	179.6	0	0	0	0	0	113.2	N424 Q428	N424-A426 PolarHBondContact O-N 2.93Å; N424-A426 PolarHBondContact OD1-N 3.33Å; A426-Q428 PolarHBondContact O-N 3.22Å; A426-Q428 PolarHBondContact O-NE2 3.2Å
427	D	97.2	Very high	97.9	Very high	45 Å²	45	30.6 Å²	30.6	24%	0.241	16%	0.159	C	C	.	.			trans	-55	125.4	177	-177.1	3.3	0	0	0	111.6	N424 D429 R430	N424-D427 WeakPolarHBondContact O-CB 3.48Å; N424-D427 PolarHBondContact O-N 3.32Å; N424-D427 VanDerWaalsContact O-N 3.11Å; N424-D427 PolarHBondContact OD1-N 3.33Å; D427-D429 VanDerWaalsContact C-N 3.27Å; D427-D429 PolarHBondContact O-N 3.4Å; D427-D429 PolarHBondContact OD1-N 2.85Å; D427-R430 HydrophobicContact CB-CG 4.07Å; D427-R430 PolarHBondContact O-N 2.97Å
428	Q	96.8	Very high	97.9	Very high	107 Å²	107	30.1 Å²	30.1	50%	0.5	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-14	-176.2	-62.4	-58.6	-55.2	0	0	113.1	H312 R315 A426	H312-Q428 PolarHBondContact CE1-O 3.4Å; H312-Q428 PolarHBondContact ND1-O 2.81Å; H312-Q428 VanDerWaalsContact ND1-O 3.11Å; R315-Q428 VanDerWaalsContact NH1-C 3.32Å; R315-Q428 PolarHBondContact NH1-O 2.82Å; A426-Q428 PolarHBondContact O-N 3.22Å; A426-Q428 PolarHBondContact O-NE2 3.2Å
429	D	97.4	Very high	97.9	Very high	61 Å²	61	29.5 Å²	29.5	33%	0.326	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.9	173.3	-105.6	-38.4	0	0	0	113.5	R417 D427 S431	R417-D429 IonicContact CZ-OD1 2.77Å; R417-D429 PolarHBondContact NH1-O 2.68Å; R417-D429 IonicContact NH1-OD1 3.49Å; R417-D429 PolarHBondContact NH1-OD1 3.32Å; R417-D429 IonicContact NH2-OD1 2.77Å; D427-D429 VanDerWaalsContact C-N 3.27Å; D427-D429 PolarHBondContact O-N 3.4Å; D427-D429 PolarHBondContact OD1-N 2.85Å; D429-S431 PolarHBondContact O-N 2.96Å
430	R	98.4	Very high	98	Very high	19 Å²	19	29.4 Å²	29.4	7%	0.072	15%	0.153	C	C	.	.			trans	-69.2	128.3	177.4	-65.9	178	-174.7	-148.8	1.6	110.8	R315 R417 D422 N424 D427	R315-R430 WeakPolarHBondContact CD-O 3.48Å; R315-R430 PolarHBondContact NH1-O 3.32Å; R417-R430 CarbonylContact O-C 3.53Å; R417-R430 WeakPolarHBondContact O-CA 3.37Å; D422-R430 VanDerWaalsContact CG-NH2 3.35Å; D422-R430 PolarHBondContact O-NH2 3.47Å; D422-R430 IonicContact OD2-CZ 2.76Å; D422-R430 IonicContact OD2-NH2 3.8Å; D422-R430 PolarHBondContact OD2-NH2 3.07Å; N424-R430 PolarHBondContact O-NE 3.34Å; N424-R430 VanDerWaalsContact O-NE 3.13Å; N424-R430 PolarHBondContact O-NH2 2.88Å; N424-R430 VanDerWaalsContact O-NH2 3.1Å; D427-R430 HydrophobicContact CB-CG 4.07Å; D427-R430 PolarHBondContact O-N 2.97Å
431	S	98.7	Very high	98	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.035	15%	0.151	C	C	.	.			trans	-166.5	142	-174.7	-172.1	0	0	0	0	113.2	I311 R417 D429 I433	I311-S431 WeakPolarHBondContact CA-OG 3.41Å; I311-S431 WeakPolarHBondContact CB-OG 3.35Å; I311-S431 WeakPolarHBondContact O-CB 3.45Å; I311-S431 PolarHBondContact O-OG 3.36Å; R417-S431 PolarHBondContact O-N 3.37Å; D429-S431 PolarHBondContact O-N 2.96Å; S431-I433 PolarHBondContact O-N 3.47Å
432	P	98.6	Very high	98.1	Very high	10 Å²	10	29.4 Å²	29.4	7%	0.065	15%	0.152	C	C	.	.			trans	-83.2	37.6	-170.5	36.6	-39.8	0	0	0	114.9	M314 L318 W343 F434 V435 Q436	M314-P432 HydrophobicContact CB-CG 4.35Å; M314-P432 WeakPolarHBondContact O-CG 3.07Å; L318-P432 HydrophobicContact CB-CG 3.87Å; L318-P432 HydrophobicContact CD2-CB 3.41Å; L318-P432 VanDerWaalsContact CD2-CB 3.41Å; L318-P432 HydrophobicContact CD2-CG 3.69Å; L318-P432 HydrophobicContact CG-CG 4.41Å; W343-P432 HydrophobicContact CH2-CB 4.27Å; W343-P432 HydrophobicContact CH2-CG 3.98Å; W343-P432 HydrophobicContact CZ3-CG 3.96Å; P432-F434 PolarHBondContact O-N 2.64Å; P432-V435 HydrophobicContact CB-CB 4.03Å; P432-V435 HydrophobicContact CB-CG2 4.05Å; P432-V435 WeakPolarHBondContact O-CB 3.25Å; P432-V435 PolarHBondContact O-N 2.91Å; P432-V435 VanDerWaalsContact O-N 3.1Å; P432-Q436 PolarHBondContact O-N 3.13Å
433	I	98.9	Very high	98.1	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-41.7	-172.4	-57.2	-55.3	0	0	0	113	I311 M314 D376 Q380 W407 S431 F437	I311-I433 HydrophobicContact CG2-CD1 4.13Å; I311-I433 HydrophobicContact CG2-CG1 4.18Å; M314-I433 HydrophobicContact CB-CD1 4.09Å; M314-I433 HydrophobicContact CG-CD1 3.87Å; D376-I433 HydrophobicContact CB-CG1 4.43Å; D376-I433 HydrophobicContact CB-CG2 3.97Å; Q380-I433 HydrophobicContact CG-CG2 4.09Å; Q380-I433 PolarHBondContact NE2-O 3.16Å; W407-I433 HydrophobicContact CH2-CG2 4.15Å; W407-I433 HydrophobicContact CZ3-CG2 4.1Å; S431-I433 PolarHBondContact O-N 3.47Å; I433-F437 PolarHBondContact O-N 3.06Å
434	F	98.9	Very high	98.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	12%	0.122	C	C	.	.	H	α-helix	trans	-73.9	-32.7	175.7	-170.5	-115.5	0	0	0	112.6	I403 W407 F414 P432 Q436 F437 I438 I462 L463 L466 F474	I403-F434 HydrophobicContact CD1-CZ 4.16Å; I403-F434 HydrophobicContact CG1-CE2 4.39Å; I403-F434 HydrophobicContact CG1-CZ 4.28Å; I403-F434 HydrophobicContact CG2-CE2 4.29Å; I403-F434 HydrophobicContact CG2-CZ 4.02Å; W407-F434 AromaticContact CD2-CD2 3.55Å; W407-F434 HydrophobicContact CD2-CD2 3.55Å; W407-F434 AromaticContact CD2-CE2 3.83Å; W407-F434 HydrophobicContact CD2-CE2 3.83Å; W407-F434 AromaticContact CE2-CD2 3.9Å; W407-F434 HydrophobicContact CE3-CB 4.37Å; W407-F434 AromaticContact CE3-CD2 3.46Å; W407-F434 HydrophobicContact CE3-CD2 3.46Å; W407-F434 VanDerWaalsContact CE3-CD2 3.46Å; W407-F434 HydrophobicContact CE3-CE2 4.18Å; W407-F434 HydrophobicContact CE3-CG 4.34Å; W407-F434 HydrophobicContact CG-CD2 4.15Å; W407-F434 AromaticContact CG-CE2 3.96Å; W407-F434 HydrophobicContact CG-CE2 3.96Å; W407-F434 HydrophobicContact CH2-CD2 4.03Å; W407-F434 HydrophobicContact CZ2-CD2 4.15Å; W407-F434 HydrophobicContact CZ3-CB 4Å; W407-F434 AromaticContact CZ3-CD2 3.7Å; W407-F434 HydrophobicContact CZ3-CD2 3.7Å; W407-F434 HydrophobicContact CZ3-CG 4.35Å; F414-F434 HydrophobicContact CE1-CB 4.02Å; F414-F434 AromaticContact CE1-CD1 3.73Å; F414-F434 HydrophobicContact CE1-CD1 3.73Å; F414-F434 HydrophobicContact CE1-CD2 4.02Å; F414-F434 HydrophobicContact CE1-CE1 4.12Å; F414-F434 HydrophobicContact CE1-CE2 4.38Å; F414-F434 AromaticContact CE1-CG 3.66Å; F414-F434 HydrophobicContact CE1-CG 3.66Å; F414-F434 HydrophobicContact CE1-CZ 4.42Å; F414-F434 HydrophobicContact CZ-CD1 4.4Å; F414-F434 AromaticContact CZ-CD2 4Å; F414-F434 HydrophobicContact CZ-CD2 4Å; F414-F434 HydrophobicContact CZ-CE2 4.12Å; F414-F434 HydrophobicContact CZ-CG 4.13Å; F414-F434 HydrophobicContact CZ-CZ 4.37Å; P432-F434 PolarHBondContact O-N 2.64Å; F434-Q436 VanDerWaalsContact C-N 3.33Å; F434-Q436 PolarHBondContact O-N 3.23Å; F434-F437 AromaticContact CD2-CD1 3.82Å; F434-F437 HydrophobicContact CD2-CD1 3.82Å; F434-F437 AromaticContact CE2-CD1 3.65Å; F434-F437 HydrophobicContact CE2-CD1 3.65Å; F434-F437 AromaticContact CE2-CE1 3.98Å; F434-F437 HydrophobicContact CE2-CE1 3.98Å; F434-F437 HydrophobicContact CZ-CD1 4.49Å; F434-F437 WeakPolarHBondContact O-CB 3.42Å; F434-F437 PolarHBondContact O-N 2.9Å; F434-I438 HydrophobicContact CD1-CG1 4.28Å; F434-I438 HydrophobicContact CE1-CD1 4.25Å; F434-I438 HydrophobicContact CE1-CG1 4.02Å; F434-I438 HydrophobicContact CE2-CD1 4.33Å; F434-I438 HydrophobicContact CZ-CD1 3.94Å; F434-I438 HydrophobicContact CZ-CG1 4.15Å; F434-I438 WeakPolarHBondContact O-CG1 3.3Å; F434-I438 PolarHBondContact O-N 3.46Å; F434-I462 HydrophobicContact CE1-CG2 3.69Å; F434-I462 HydrophobicContact CZ-CG2 4.09Å; F434-L463 HydrophobicContact CD1-CD2 4.5Å; F434-L466 HydrophobicContact CD1-CD1 3.8Å; F434-L466 HydrophobicContact CD1-CD2 3.98Å; F434-L466 HydrophobicContact CD1-CG 4.44Å; F434-L466 HydrophobicContact CE1-CD1 4.35Å; F434-F474 AromaticContact CE1-CE1 3.84Å; F434-F474 HydrophobicContact CE1-CE1 3.84Å; F434-F474 AromaticContact CE1-CZ 3.87Å; F434-F474 HydrophobicContact CE1-CZ 3.87Å; F434-F474 AromaticContact CZ-CE1 3.85Å; F434-F474 HydrophobicContact CZ-CE1 3.85Å; F434-F474 HydrophobicContact CZ-CZ 4.04Å
435	V	98.9	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-45.8	173.3	-174.6	0	0	0	0	110	P432 F437 I438 D439 L463 L466 Y467 Y533	P432-V435 HydrophobicContact CB-CB 4.03Å; P432-V435 HydrophobicContact CB-CG2 4.05Å; P432-V435 WeakPolarHBondContact O-CB 3.25Å; P432-V435 PolarHBondContact O-N 2.91Å; P432-V435 VanDerWaalsContact O-N 3.1Å; V435-F437 VanDerWaalsContact C-N 3.29Å; V435-F437 PolarHBondContact O-N 2.89Å; V435-I438 PolarHBondContact O-N 3.25Å; V435-D439 WeakPolarHBondContact O-CB 3.31Å; V435-D439 PolarHBondContact O-N 3.24Å; V435-L463 HydrophobicContact CB-CD2 4.47Å; V435-L463 HydrophobicContact CG1-CD1 4.29Å; V435-L463 HydrophobicContact CG2-CD2 4.26Å; V435-L466 HydrophobicContact CG2-CD2 4.12Å; V435-Y467 VanDerWaalsContact CG2-OH 3.24Å; V435-Y467 WeakPolarHBondContact CG2-OH 3.48Å; V435-Y533 HydrophobicContact CG1-CE1 3.66Å
436	Q	98.8	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-35.4	176.7	-169.9	-178.7	35.5	0	0	112.5	M314 W343 H346 I347 P432 F434 C440	M314-Q436 PolarHBondContact SD-NE2 3.42Å; W343-Q436 HydrophobicContact CH2-CB 4.01Å; W343-Q436 HydrophobicContact CH2-CG 4.36Å; W343-Q436 HydrophobicContact CZ2-CB 4.21Å; W343-Q436 HydrophobicContact CZ2-CG 4.41Å; H346-Q436 VanDerWaalsContact CB-NE2 3.34Å; I347-Q436 HydrophobicContact CD1-CB 4.46Å; I347-Q436 HydrophobicContact CD1-CG 3.59Å; P432-Q436 PolarHBondContact O-N 3.13Å; F434-Q436 VanDerWaalsContact C-N 3.33Å; F434-Q436 PolarHBondContact O-N 3.23Å; Q436-C440 PolarHBondContact O-N 3.46Å; Q436-C440 PolarHBondContact O-SG 3.46Å
437	F	98.9	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-49.2	171.8	164.5	-111	0	0	0	111.9	Q380 S383 L384 L387 F399 L402 I403 W407 I433 F434 V435 D439 C440 V441	Q380-F437 HydrophobicContact CG-CB 4.35Å; S383-F437 VanDerWaalsContact CB-CE2 3.42Å; L384-F437 HydrophobicContact CD1-CD2 4.41Å; L384-F437 HydrophobicContact CD2-CD2 3.87Å; L384-F437 HydrophobicContact CD2-CE2 3.83Å; L384-F437 HydrophobicContact CG-CD2 3.84Å; L384-F437 HydrophobicContact CG-CE2 3.95Å; L387-F437 HydrophobicContact CD1-CE2 4.24Å; L387-F437 HydrophobicContact CD1-CZ 4.28Å; F399-F437 HydrophobicContact CE2-CE1 4.24Å; F399-F437 AromaticContact CE2-CZ 3.99Å; F399-F437 HydrophobicContact CE2-CZ 3.99Å; F399-F437 HydrophobicContact CZ-CE1 4.25Å; F399-F437 HydrophobicContact CZ-CZ 4.43Å; L402-F437 HydrophobicContact CD2-CZ 4.34Å; I403-F437 HydrophobicContact CG1-CE1 4.38Å; W407-F437 AromaticContact CE2-CD1 3.78Å; W407-F437 AromaticContact CE2-CG 3.88Å; W407-F437 HydrophobicContact CH2-CB 3.63Å; W407-F437 HydrophobicContact CH2-CD1 4.49Å; W407-F437 HydrophobicContact CH2-CG 4.09Å; W407-F437 HydrophobicContact CZ2-CB 3.37Å; W407-F437 AromaticContact CZ2-CD1 3.67Å; W407-F437 HydrophobicContact CZ2-CD1 3.67Å; W407-F437 AromaticContact CZ2-CD2 3.79Å; W407-F437 HydrophobicContact CZ2-CD2 3.79Å; W407-F437 HydrophobicContact CZ2-CE1 4.4Å; W407-F437 AromaticContact CZ2-CG 3.31Å; W407-F437 HydrophobicContact CZ2-CG 3.31Å; W407-F437 AromaticContact NE1-CD1 3.82Å; W407-F437 AromaticContact NE1-CE1 3.68Å; W407-F437 AromaticContact NE1-CZ 3.86Å; I433-F437 PolarHBondContact O-N 3.06Å; F434-F437 AromaticContact CD2-CD1 3.82Å; F434-F437 HydrophobicContact CD2-CD1 3.82Å; F434-F437 AromaticContact CE2-CD1 3.65Å; F434-F437 HydrophobicContact CE2-CD1 3.65Å; F434-F437 AromaticContact CE2-CE1 3.98Å; F434-F437 HydrophobicContact CE2-CE1 3.98Å; F434-F437 HydrophobicContact CZ-CD1 4.49Å; F434-F437 WeakPolarHBondContact O-CB 3.42Å; F434-F437 PolarHBondContact O-N 2.9Å; V435-F437 VanDerWaalsContact C-N 3.29Å; V435-F437 PolarHBondContact O-N 2.89Å; F437-D439 VanDerWaalsContact C-N 3.3Å; F437-D439 PolarHBondContact O-N 3.13Å; F437-C440 WeakPolarHBondContact O-CB 3.4Å; F437-C440 PolarHBondContact O-N 2.71Å; F437-C440 VanDerWaalsContact O-N 3.12Å; F437-V441 HydrophobicContact CD2-CG2 4.21Å; F437-V441 HydrophobicContact CE1-CG2 4.26Å; F437-V441 HydrophobicContact CE2-CG2 3.74Å; F437-V441 HydrophobicContact CZ-CG2 3.77Å; F437-V441 WeakPolarHBondContact O-CG2 3.38Å; F437-V441 PolarHBondContact O-N 2.85Å
438	I	98.9	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-34.8	-179.7	-60.8	-62.8	0	0	0	111.4	F399 F434 V435 V441 W442 L459 I462 L463 W530	F399-I438 HydrophobicContact CE1-CD1 4.33Å; F399-I438 HydrophobicContact CZ-CD1 3.84Å; F434-I438 HydrophobicContact CD1-CG1 4.28Å; F434-I438 HydrophobicContact CE1-CD1 4.25Å; F434-I438 HydrophobicContact CE1-CG1 4.02Å; F434-I438 HydrophobicContact CE2-CD1 4.33Å; F434-I438 HydrophobicContact CZ-CD1 3.94Å; F434-I438 HydrophobicContact CZ-CG1 4.15Å; F434-I438 WeakPolarHBondContact O-CG1 3.3Å; F434-I438 PolarHBondContact O-N 3.46Å; V435-I438 PolarHBondContact O-N 3.25Å; I438-V441 WeakPolarHBondContact O-CB 3.41Å; I438-V441 PolarHBondContact O-N 2.86Å; I438-W442 PolarHBondContact O-N 2.93Å; I438-L459 HydrophobicContact CG2-CB 3.75Å; I438-L459 HydrophobicContact CG2-CD2 4.16Å; I438-L459 HydrophobicContact CG2-CG 4.36Å; I438-I462 HydrophobicContact CD1-CG2 4.17Å; I438-I462 HydrophobicContact CG1-CG2 4.4Å; I438-L463 HydrophobicContact CB-CD1 4.15Å; I438-L463 HydrophobicContact CB-CD2 4.01Å; I438-L463 HydrophobicContact CB-CG 4.23Å; I438-L463 HydrophobicContact CG1-CD2 3.88Å; I438-L463 HydrophobicContact CG1-CG 4.42Å; I438-L463 HydrophobicContact CG2-CD1 3.83Å; I438-L463 HydrophobicContact CG2-CD2 4.28Å; I438-L463 HydrophobicContact CG2-CG 3.95Å; I438-W530 HydrophobicContact CG2-CH2 3.72Å; I438-W530 HydrophobicContact CG2-CZ3 3.84Å
439	D	98.9	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.6	-50.6	168.7	-172.3	-28.9	0	0	0	110.5	W343 I347 V435 F437 V441 W442 Q443 W530 Y534	W343-D439 PolarHBondContact NE1-OD2 3.23Å; I347-D439 HydrophobicContact CD1-CB 3.61Å; V435-D439 WeakPolarHBondContact O-CB 3.31Å; V435-D439 PolarHBondContact O-N 3.24Å; F437-D439 VanDerWaalsContact C-N 3.3Å; F437-D439 PolarHBondContact O-N 3.13Å; D439-V441 VanDerWaalsContact C-N 3.25Å; D439-V441 PolarHBondContact O-N 2.9Å; D439-W442 CarbonylContact O-C 3.6Å; D439-W442 WeakPolarHBondContact O-CA 3.44Å; D439-W442 VanDerWaalsContact O-CB 3.32Å; D439-W442 WeakPolarHBondContact O-CB 3.38Å; D439-W442 PolarHBondContact O-N 3.45Å; D439-Q443 WeakPolarHBondContact O-CG 3.19Å; D439-Q443 PolarHBondContact O-N 2.87Å; D439-Q443 PolarHBondContact OD1-NE2 3.29Å; D439-W530 HydrophobicContact CB-CE3 4.16Å; D439-Y534 VanDerWaalsContact OD2-CE2 3.26Å; D439-Y534 WeakPolarHBondContact OD2-CE2 3.22Å; D439-Y534 PolarHBondContact OD2-OH 3.39Å
440	C	98.9	Very high	97.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.7	-35.5	174.1	-65.8	0	0	0	0	113.4	L351 L384 Q436 F437 M444	L351-C440 HydrophobicContact CD2-CB 3.88Å; L351-C440 HydrophobicContact CG-CB 4.03Å; L384-C440 HydrophobicContact CD1-CB 3.67Å; L384-C440 HydrophobicContact CD2-CB 3.69Å; L384-C440 HydrophobicContact CG-CB 4.35Å; Q436-C440 PolarHBondContact O-N 3.46Å; Q436-C440 PolarHBondContact O-SG 3.46Å; F437-C440 WeakPolarHBondContact O-CB 3.4Å; F437-C440 PolarHBondContact O-N 2.71Å; F437-C440 VanDerWaalsContact O-N 3.12Å; C440-M444 PolarHBondContact O-N 3.17Å
441	V	98.9	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.4	-44.6	172.3	177.7	0	0	0	0	110.8	L384 L387 F399 F437 I438 D439 Q443 M444 T445 F454 L459	L384-V441 HydrophobicContact CD2-CG2 4.01Å; L387-V441 HydrophobicContact CD1-CG2 3.67Å; F399-V441 HydrophobicContact CE2-CG1 4.09Å; F399-V441 HydrophobicContact CE2-CG2 4Å; F399-V441 HydrophobicContact CZ-CB 4.48Å; F399-V441 HydrophobicContact CZ-CG1 4.01Å; F399-V441 HydrophobicContact CZ-CG2 4.13Å; F437-V441 HydrophobicContact CD2-CG2 4.21Å; F437-V441 HydrophobicContact CE1-CG2 4.26Å; F437-V441 HydrophobicContact CE2-CG2 3.74Å; F437-V441 HydrophobicContact CZ-CG2 3.77Å; F437-V441 WeakPolarHBondContact O-CG2 3.38Å; F437-V441 PolarHBondContact O-N 2.85Å; I438-V441 WeakPolarHBondContact O-CB 3.41Å; I438-V441 PolarHBondContact O-N 2.86Å; D439-V441 VanDerWaalsContact C-N 3.25Å; D439-V441 PolarHBondContact O-N 2.9Å; V441-Q443 PolarHBondContact O-N 3.37Å; V441-M444 HydrophobicContact CG2-CE 4.31Å; V441-M444 WeakPolarHBondContact O-CB 3.38Å; V441-M444 PolarHBondContact O-N 3.38Å; V441-M444 VanDerWaalsContact O-N 3.1Å; V441-T445 PolarHBondContact O-N 2.98Å; V441-F454 HydrophobicContact CG1-CE2 3.85Å; V441-F454 HydrophobicContact CG1-CZ 3.78Å; V441-L459 HydrophobicContact CG1-CD1 4.17Å; V441-L459 HydrophobicContact CG1-CD2 4.11Å
442	W	98.8	Very high	97.6	Very high	11 Å²	11	17.6 Å²	17.6	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-57.7	-46.1	174.8	177.5	82.5	0	0	0	112.2	I438 D439 M444 T445 K446 E456 L459 E528 W530	I438-W442 PolarHBondContact O-N 2.93Å; D439-W442 CarbonylContact O-C 3.6Å; D439-W442 WeakPolarHBondContact O-CA 3.44Å; D439-W442 VanDerWaalsContact O-CB 3.32Å; D439-W442 WeakPolarHBondContact O-CB 3.38Å; D439-W442 PolarHBondContact O-N 3.45Å; W442-M444 PolarHBondContact O-N 2.67Å; W442-T445 WeakPolarHBondContact CA-OG1 3.36Å; W442-T445 PolarHBondContact O-N 3.18Å; W442-T445 PolarHBondContact O-OG1 2.98Å; W442-K446 HydrophobicContact CD2-CG 3.96Å; W442-K446 HydrophobicContact CE3-CG 4.3Å; W442-K446 HydrophobicContact CH2-CD 4.31Å; W442-K446 HydrophobicContact CH2-CG 4.09Å; W442-K446 HydrophobicContact CZ2-CD 3.74Å; W442-K446 HydrophobicContact CZ2-CG 3.73Å; W442-K446 HydrophobicContact CZ3-CG 4.35Å; W442-K446 WeakPolarHBondContact O-CG 3.48Å; W442-K446 PolarHBondContact O-N 3.3Å; W442-E456 PolarHBondContact NE1-OE1 3.29Å; W442-L459 HydrophobicContact CB-CD1 3.93Å; W442-E528 HydrophobicContact CH2-CB 3.7Å; W442-E528 HydrophobicContact CZ3-CB 3.89Å; W442-W530 HydrophobicContact CB-CD2 4.09Å; W442-W530 HydrophobicContact CB-CE3 4.18Å; W442-W530 HydrophobicContact CB-CH2 4.42Å; W442-W530 HydrophobicContact CB-CZ2 4.3Å; W442-W530 HydrophobicContact CB-CZ3 4.34Å; W442-W530 AromaticContact CD1-CD1 3.79Å; W442-W530 AromaticContact CD1-CE2 3.53Å; W442-W530 AromaticContact CD1-CZ2 3.97Å; W442-W530 AromaticContact CD1-NE1 3.3Å; W442-W530 VanDerWaalsContact CD1-NE1 3.3Å; W442-W530 HydrophobicContact CD2-CB 4.03Å; W442-W530 AromaticContact CD2-CD1 3.53Å; W442-W530 AromaticContact CD2-CD2 3.95Å; W442-W530 HydrophobicContact CD2-CD2 3.95Å; W442-W530 AromaticContact CD2-CG 3.6Å; W442-W530 HydrophobicContact CD2-CG 3.6Å; W442-W530 AromaticContact CD2-NE1 3.87Å; W442-W530 AromaticContact CE2-CD1 3.19Å; W442-W530 AromaticContact CE2-CG 3.75Å; W442-W530 AromaticContact CE2-NE1 3.56Å; W442-W530 HydrophobicContact CE3-CB 3.76Å; W442-W530 HydrophobicContact CE3-CD2 4.43Å; W442-W530 AromaticContact CE3-CG 3.86Å; W442-W530 HydrophobicContact CE3-CG 3.86Å; W442-W530 AromaticContact CG-CD1 3.89Å; W442-W530 AromaticContact CG-CD2 3.78Å; W442-W530 HydrophobicContact CG-CD2 3.78Å; W442-W530 AromaticContact CG-CE2 3.67Å; W442-W530 HydrophobicContact CG-CE3 4.36Å; W442-W530 AromaticContact CG-CG 3.96Å; W442-W530 HydrophobicContact CG-CG 3.96Å; W442-W530 HydrophobicContact CG-CZ2 4.2Å; W442-W530 AromaticContact CG-NE1 3.72Å; W442-W530 HydrophobicContact CH2-CB 4.13Å; W442-W530 HydrophobicContact CH2-CG 4.4Å; W442-W530 HydrophobicContact CZ2-CB 4.36Å; W442-W530 AromaticContact CZ2-CD1 3.54Å; W442-W530 HydrophobicContact CZ2-CG 4.15Å; W442-W530 HydrophobicContact CZ3-CB 3.83Å; W442-W530 HydrophobicContact CZ3-CG 4.27Å; W442-W530 AromaticContact NE1-CD1 3.34Å; W442-W530 VanDerWaalsContact NE1-CD1 3.34Å; W442-W530 AromaticContact NE1-CE2 3.88Å; W442-W530 AromaticContact NE1-NE1 3.16Å; W442-W530 VanDerWaalsContact NE1-NE1 3.16Å
443	Q	98.8	Very high	97.6	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-55.1	-38.9	174.8	-55.3	-68	-22.6	0	0	111.8	I347 L351 D439 V441 K446 Q447 L527 E528	I347-Q443 HydrophobicContact CG2-CG 3.9Å; L351-Q443 HydrophobicContact CD1-CB 4.01Å; L351-Q443 HydrophobicContact CD1-CG 4.2Å; D439-Q443 WeakPolarHBondContact O-CG 3.19Å; D439-Q443 PolarHBondContact O-N 2.87Å; D439-Q443 PolarHBondContact OD1-NE2 3.29Å; V441-Q443 PolarHBondContact O-N 3.37Å; Q443-K446 PolarHBondContact O-N 2.82Å; Q443-Q447 WeakPolarHBondContact O-CG 3.41Å; Q443-Q447 PolarHBondContact O-N 3.06Å; Q443-L527 HydrophobicContact CB-CD2 4.01Å; Q443-L527 HydrophobicContact CG-CD2 3.87Å; Q443-E528 PolarHBondContact NE2-O 3.41Å
444	M	98.6	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-70	-41.3	174.7	-66.7	-171.9	-63.6	0	0	112.6	L351 L384 L387 M388 C440 V441 W442 K446 Q447 F448 F452 P520	L351-M444 HydrophobicContact CD2-CG 4.27Å; L384-M444 HydrophobicContact CD2-CE 3.53Å; L387-M444 HydrophobicContact CB-CE 3.97Å; L387-M444 HydrophobicContact CD1-CE 3.83Å; M388-M444 HydrophobicContact CE-SD 3.85Å; M388-M444 HydrophobicContact CG-SD 4.11Å; C440-M444 PolarHBondContact O-N 3.17Å; V441-M444 HydrophobicContact CG2-CE 4.31Å; V441-M444 WeakPolarHBondContact O-CB 3.38Å; V441-M444 PolarHBondContact O-N 3.38Å; V441-M444 VanDerWaalsContact O-N 3.1Å; W442-M444 PolarHBondContact O-N 2.67Å; M444-K446 PolarHBondContact O-N 2.75Å; M444-Q447 PolarHBondContact O-N 2.96Å; M444-F448 WeakPolarHBondContact O-CD2 3.13Å; M444-F448 PolarHBondContact O-N 2.7Å; M444-F452 HydrophobicContact CB-CE2 3.88Å; M444-F452 HydrophobicContact CB-CZ 3.69Å; M444-F452 HydrophobicContact CE-CZ 4.28Å; M444-P520 HydrophobicContact CG-CB 4.17Å; M444-P520 HydrophobicContact CG-CG 3.97Å; M444-P520 HydrophobicContact SD-CG 4.15Å
445	T	97.1	Very high	97.4	Very high	22 Å²	22	20 Å²	20	14%	0.135	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-32.5	175.2	63.1	0	0	0	0	112.3	V441 W442 F448 P449 F452 F454	V441-T445 PolarHBondContact O-N 2.98Å; W442-T445 WeakPolarHBondContact CA-OG1 3.36Å; W442-T445 PolarHBondContact O-N 3.18Å; W442-T445 PolarHBondContact O-OG1 2.98Å; T445-F448 CarbonylContact O-C 3.54Å; T445-P449 WeakPolarHBondContact O-CA 3.5Å; T445-F452 HydrophobicContact CG2-CB 4.12Å; T445-F452 HydrophobicContact CG2-CD1 4.29Å; T445-F452 HydrophobicContact CG2-CD2 3.79Å; T445-F452 HydrophobicContact CG2-CE2 4.26Å; T445-F452 HydrophobicContact CG2-CG 3.81Å; T445-F454 HydrophobicContact CG2-CE2 3.99Å
446	K	95.8	Very high	97.2	Very high	93 Å²	93	22.4 Å²	22.4	40%	0.404	12%	0.115	S	C	.	.	H	α-helix	trans	-69.1	-40	175.5	-75	-75.4	-61.5	-165.4	0	113.2	W442 Q443 M444 E528	W442-K446 HydrophobicContact CD2-CG 3.96Å; W442-K446 HydrophobicContact CE3-CG 4.3Å; W442-K446 HydrophobicContact CH2-CD 4.31Å; W442-K446 HydrophobicContact CH2-CG 4.09Å; W442-K446 HydrophobicContact CZ2-CD 3.74Å; W442-K446 HydrophobicContact CZ2-CG 3.73Å; W442-K446 HydrophobicContact CZ3-CG 4.35Å; W442-K446 WeakPolarHBondContact O-CG 3.48Å; W442-K446 PolarHBondContact O-N 3.3Å; Q443-K446 PolarHBondContact O-N 2.82Å; M444-K446 PolarHBondContact O-N 2.75Å; K446-E528 VanDerWaalsContact CE-CD 3.44Å; K446-E528 WeakPolarHBondContact CE-OE1 3.24Å; K446-E528 WeakPolarHBondContact CE-OE2 3.3Å; K446-E528 IonicContact NZ-OE1 2.73Å; K446-E528 PolarHBondContact NZ-OE1 3.4Å; K446-E528 IonicContact NZ-OE2 3.31Å; K446-E528 PolarHBondContact NZ-OE2 2.71Å
447	Q	96.6	Very high	97.1	Very high	49 Å²	49	26.5 Å²	26.5	23%	0.229	13%	0.134	C	C	.	.	H	α-helix	trans	-83	-24.1	179.3	-65.5	-178.5	15.6	0	0	113	Q443 M444 P520 V521 H526	Q443-Q447 WeakPolarHBondContact O-CG 3.41Å; Q443-Q447 PolarHBondContact O-N 3.06Å; M444-Q447 PolarHBondContact O-N 2.96Å; Q447-P520 VanDerWaalsContact OE1-CA 3.3Å; Q447-V521 PolarHBondContact NE2-O 3.11Å; Q447-H526 PolarHBondContact NE2-O 3.21Å
448	F	95.8	Very high	97.1	Very high	47 Å²	47	26.5 Å²	26.5	21%	0.206	13%	0.134	C	C	.	.			trans	-128.3	70.1	-179.8	-54.5	-72.5	0	0	0	111.1	M444 T445 T450 A451 F452 L518 P520	M444-F448 WeakPolarHBondContact O-CD2 3.13Å; M444-F448 PolarHBondContact O-N 2.7Å; T445-F448 CarbonylContact O-C 3.54Å; F448-T450 PolarHBondContact O-N 3.49Å; F448-A451 HydrophobicContact CB-CB 3.72Å; F448-A451 PolarHBondContact O-N 2.75Å; F448-A451 VanDerWaalsContact O-N 3.08Å; F448-F452 HydrophobicContact CB-CE2 4.33Å; F448-L518 HydrophobicContact CB-CD1 4.3Å; F448-L518 HydrophobicContact CD1-CD2 3.99Å; F448-L518 HydrophobicContact CD2-CB 4.16Å; F448-L518 HydrophobicContact CD2-CD1 3.98Å; F448-L518 HydrophobicContact CD2-CD2 4.46Å; F448-L518 HydrophobicContact CD2-CG 4.43Å; F448-L518 HydrophobicContact CE1-CD2 4.28Å; F448-L518 HydrophobicContact CE2-CB 3.92Å; F448-L518 HydrophobicContact CG-CD1 4.13Å; F448-L518 HydrophobicContact CG-CD2 4.09Å; F448-L518 HydrophobicContact CZ-CB 4.17Å; F448-P520 HydrophobicContact CE2-CB 3.92Å; F448-P520 HydrophobicContact CE2-CG 4.5Å
449	P	93.6	Very high	97.1	Very high	76 Å²	76	26.5 Å²	26.5	49%	0.494	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.5	-169	25.6	-35.9	0	0	0	114.9	T445 N507	T445-P449 WeakPolarHBondContact O-CA 3.5Å; P449-N507 PolarHBondContact O-ND2 3.18Å
450	T	92.8	Very high	97	Very high	50 Å²	50	27.6 Å²	27.6	31%	0.307	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-12.2	177.7	63.8	0	0	0	0	113.5	F448 F452 F509 Y510 T511	F448-T450 PolarHBondContact O-N 3.49Å; T450-F452 PolarHBondContact O-N 3Å; T450-F509 WeakPolarHBondContact CA-O 3.42Å; T450-F509 VanDerWaalsContact CB-O 3.25Å; T450-F509 WeakPolarHBondContact CB-O 3.48Å; T450-F509 HydrophobicContact CG2-CB 4.33Å; T450-F509 WeakPolarHBondContact CG2-O 3.44Å; T450-Y510 CarbonylContact O-C 3.28Å; T450-Y510 WeakPolarHBondContact O-CA 3.22Å; T450-Y510 WeakPolarHBondContact O-CD2 3.42Å; T450-T511 VanDerWaalsContact CB-OG1 3.26Å; T450-T511 WeakPolarHBondContact CB-OG1 2.81Å; T450-T511 PolarHBondContact O-N 2.79Å; T450-T511 PolarHBondContact O-OG1 2.79Å; T450-T511 PolarHBondContact OG1-OG1 2.99Å
451	A	96.2	Very high	97	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.025	14%	0.143	C	C	.	.	S	Bend	trans	-85.3	-10.1	-167	0	0	0	0	0	114.8	R394 F448 L518	R394-A451 WeakPolarHBondContact CB-O 3.49Å; R394-A451 WeakPolarHBondContact CD-O 3.46Å; F448-A451 HydrophobicContact CB-CB 3.72Å; F448-A451 PolarHBondContact O-N 2.75Å; F448-A451 VanDerWaalsContact O-N 3.08Å; A451-L518 HydrophobicContact CB-CD1 3.82Å; A451-L518 HydrophobicContact CB-CD2 4.07Å
452	F	97.4	Very high	97	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.143	C	C	.	.			trans	-116.8	132.3	-178.3	-63.8	-93.9	0	0	0	110.6	L387 R394 M444 T445 F448 T450 F454 N507 L518	L387-F452 HydrophobicContact CD2-CE1 4.28Å; R394-F452 HydrophobicContact CB-CD1 3.75Å; R394-F452 HydrophobicContact CB-CE1 4.17Å; R394-F452 HydrophobicContact CB-CG 4.35Å; R394-F452 HydrophobicContact CG-CD1 3.9Å; R394-F452 HydrophobicContact CG-CE1 3.78Å; R394-F452 HydrophobicContact CG-CZ 4.43Å; M444-F452 HydrophobicContact CB-CE2 3.88Å; M444-F452 HydrophobicContact CB-CZ 3.69Å; M444-F452 HydrophobicContact CE-CZ 4.28Å; T445-F452 HydrophobicContact CG2-CB 4.12Å; T445-F452 HydrophobicContact CG2-CD1 4.29Å; T445-F452 HydrophobicContact CG2-CD2 3.79Å; T445-F452 HydrophobicContact CG2-CE2 4.26Å; T445-F452 HydrophobicContact CG2-CG 3.81Å; F448-F452 HydrophobicContact CB-CE2 4.33Å; T450-F452 PolarHBondContact O-N 3Å; F452-F454 VanDerWaalsContact C-N 3.29Å; F452-F454 HydrophobicContact CB-CE1 4.43Å; F452-F454 HydrophobicContact CB-CE2 4.42Å; F452-F454 HydrophobicContact CB-CZ 4.33Å; F452-F454 AromaticContact CD1-CE1 3.8Å; F452-F454 HydrophobicContact CD1-CE1 3.8Å; F452-F454 HydrophobicContact CD1-CE2 4.14Å; F452-F454 AromaticContact CD1-CZ 3.44Å; F452-F454 HydrophobicContact CD1-CZ 3.44Å; F452-F454 VanDerWaalsContact CD1-CZ 3.44Å; F452-F454 HydrophobicContact CE1-CZ 4.13Å; F452-F454 HydrophobicContact CG-CZ 4.23Å; F452-N507 VanDerWaalsContact O-CB 3.25Å; F452-N507 WeakPolarHBondContact O-CB 3.39Å; F452-N507 PolarHBondContact O-ND2 2.99Å; F452-L518 HydrophobicContact CE2-CD1 3.9Å; F452-L518 HydrophobicContact CZ-CD1 3.99Å
453	E	97.4	Very high	97	Very high	50 Å²	50	27.7 Å²	27.7	23%	0.234	14%	0.141	C	C	.	.	S	Bend	trans	-75	-21.9	178.7	-171.5	-179.9	-125.2	0	0	112	R394 T395 L396 L506 N507 Y510	R394-E453 PolarHBondContact O-N 2.87Å; T395-E453 WeakPolarHBondContact CA-OE2 3.38Å; T395-E453 VanDerWaalsContact CB-OE2 3.3Å; T395-E453 WeakPolarHBondContact CB-OE2 3.47Å; L396-E453 WeakPolarHBondContact CB-OE2 3.43Å; L396-E453 PolarHBondContact N-OE2 3.34Å; E453-L506 HydrophobicContact CG-CD2 3.65Å; E453-L506 CarbonylContact O-C 3.48Å; E453-L506 WeakPolarHBondContact O-CA 3.46Å; E453-N507 PolarHBondContact O-N 2.76Å; E453-Y510 VanDerWaalsContact CA-CG 3.46Å; E453-Y510 HydrophobicContact CB-CD1 3.66Å; E453-Y510 HydrophobicContact CB-CD2 4.06Å; E453-Y510 HydrophobicContact CB-CE1 3.71Å; E453-Y510 HydrophobicContact CB-CE2 4.13Å; E453-Y510 HydrophobicContact CB-CG 3.84Å; E453-Y510 HydrophobicContact CG-CD1 3.62Å; E453-Y510 HydrophobicContact CG-CE1 3.82Å; E453-Y510 HydrophobicContact CG-CG 4.19Å; E453-Y510 VanDerWaalsContact N-CD2 3.35Å
454	F	97.9	Very high	97	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-97.7	151.3	176.6	59.6	-98.1	0	0	0	112.3	L396 F399 V441 T445 F452 L458 L459 Y505	L396-F454 HydrophobicContact CD1-CB 4.2Å; F399-F454 HydrophobicContact CB-CD1 3.9Å; F399-F454 HydrophobicContact CB-CE1 3.57Å; F399-F454 HydrophobicContact CB-CZ 4.42Å; F399-F454 HydrophobicContact CD1-CD1 4.23Å; F399-F454 AromaticContact CD1-CE1 3.92Å; F399-F454 HydrophobicContact CD1-CE1 3.92Å; F399-F454 HydrophobicContact CD1-CE2 4.5Å; F399-F454 HydrophobicContact CD1-CZ 4.05Å; F399-F454 AromaticContact CD2-CE1 3.92Å; F399-F454 HydrophobicContact CD2-CE1 3.92Å; F399-F454 AromaticContact CD2-CZ 3.98Å; F399-F454 HydrophobicContact CD2-CZ 3.98Å; F399-F454 HydrophobicContact CE1-CE2 4.49Å; F399-F454 HydrophobicContact CE1-CZ 4.27Å; F399-F454 HydrophobicContact CE2-CZ 4.23Å; F399-F454 HydrophobicContact CG-CD1 4.13Å; F399-F454 AromaticContact CG-CE1 3.54Å; F399-F454 HydrophobicContact CG-CE1 3.54Å; F399-F454 AromaticContact CG-CZ 3.9Å; F399-F454 HydrophobicContact CG-CZ 3.9Å; F399-F454 HydrophobicContact CZ-CZ 4.36Å; V441-F454 HydrophobicContact CG1-CE2 3.85Å; V441-F454 HydrophobicContact CG1-CZ 3.78Å; T445-F454 HydrophobicContact CG2-CE2 3.99Å; F452-F454 VanDerWaalsContact C-N 3.29Å; F452-F454 HydrophobicContact CB-CE1 4.43Å; F452-F454 HydrophobicContact CB-CE2 4.42Å; F452-F454 HydrophobicContact CB-CZ 4.33Å; F452-F454 AromaticContact CD1-CE1 3.8Å; F452-F454 HydrophobicContact CD1-CE1 3.8Å; F452-F454 HydrophobicContact CD1-CE2 4.14Å; F452-F454 AromaticContact CD1-CZ 3.44Å; F452-F454 HydrophobicContact CD1-CZ 3.44Å; F452-F454 VanDerWaalsContact CD1-CZ 3.44Å; F452-F454 HydrophobicContact CE1-CZ 4.13Å; F452-F454 HydrophobicContact CG-CZ 4.23Å; F454-L458 HydrophobicContact CB-CB 4.21Å; F454-L458 HydrophobicContact CB-CD2 3.43Å; F454-L458 VanDerWaalsContact CB-CD2 3.43Å; F454-L458 HydrophobicContact CB-CG 4.45Å; F454-L458 HydrophobicContact CD1-CD2 4.25Å; F454-L458 HydrophobicContact CD2-CD2 4.08Å; F454-L458 HydrophobicContact CG-CD2 3.66Å; F454-L459 HydrophobicContact CD2-CD2 4.02Å; F454-L459 HydrophobicContact CD2-CG 4.39Å; F454-L459 HydrophobicContact CE2-CD1 4.4Å; F454-L459 HydrophobicContact CE2-CD2 3.7Å; F454-L459 HydrophobicContact CE2-CG 4.26Å; F454-Y505 CarbonylContact C-O 3.51Å; F454-Y505 VanDerWaalsContact CA-O 3.27Å; F454-Y505 WeakPolarHBondContact CA-O 3.45Å
455	N	95.6	Very high	97	Very high	16 Å²	16	31.1 Å²	31.1	9%	0.086	16%	0.159	C	C	.	.			trans	-100.5	177.3	177.9	67.9	31.3	0	0	0	112.6	H457 L458 I504 Y505 L506 N507	N455-H457 PolarHBondContact O-N 2.91Å; N455-H457 WeakPolarHBondContact OD1-CA 3.37Å; N455-H457 WeakPolarHBondContact OD1-CB 3.32Å; N455-H457 PolarHBondContact OD1-N 2.97Å; N455-L458 WeakPolarHBondContact O-CB 3.34Å; N455-L458 PolarHBondContact O-N 3.07Å; N455-L458 PolarHBondContact OD1-N 3.41Å; N455-I504 PolarHBondContact ND2-O 3.22Å; N455-Y505 PolarHBondContact N-O 3.34Å; N455-Y505 PolarHBondContact ND2-O 3.33Å; N455-Y505 PolarHBondContact OD1-O 2.78Å; N455-L506 PolarHBondContact ND2-O 2.75Å; N455-N507 HydrophobicContact CB-CB 4.41Å
456	E	95.7	Very high	97.1	Very high	50 Å²	50	30.1 Å²	30.1	23%	0.234	15%	0.153	C	C	.	.	H	α-helix	trans	-58.1	-32.2	177.6	-178.6	180	-119	0	0	113.4	W442 L458 L459 L460 W530 T532	W442-E456 PolarHBondContact NE1-OE1 3.29Å; E456-L458 PolarHBondContact O-N 2.89Å; E456-L459 WeakPolarHBondContact O-CB 3.42Å; E456-L459 PolarHBondContact O-N 2.9Å; E456-L460 HydrophobicContact CG-CD1 4.11Å; E456-L460 HydrophobicContact CG-CG 4.21Å; E456-L460 WeakPolarHBondContact O-CG 3.19Å; E456-L460 PolarHBondContact O-N 2.8Å; E456-W530 HydrophobicContact CG-CZ2 4.2Å; E456-W530 PolarHBondContact OE1-NE1 2.88Å; E456-T532 WeakPolarHBondContact OE1-CB 3.41Å; E456-T532 PolarHBondContact OE1-OG1 2.7Å; E456-T532 WeakPolarHBondContact OE2-CG2 3.36Å
457	H	96.1	Very high	97.2	Very high	85 Å²	85	26.2 Å²	26.2	39%	0.394	14%	0.135	S	C	.	.	H	α-helix	trans	-63.7	-30.1	-179.3	-171.9	59.5	0	0	0	112.3	N455 T461 Y505	N455-H457 PolarHBondContact O-N 2.91Å; N455-H457 WeakPolarHBondContact OD1-CA 3.37Å; N455-H457 WeakPolarHBondContact OD1-CB 3.32Å; N455-H457 PolarHBondContact OD1-N 2.97Å; H457-T461 VanDerWaalsContact O-CB 3.26Å; H457-T461 WeakPolarHBondContact O-CB 3.33Å; H457-T461 PolarHBondContact O-N 3.24Å; H457-T461 PolarHBondContact O-OG1 3.44Å; H457-Y505 AromaticContact CD2-CD1 3.74Å; H457-Y505 AromaticContact CD2-CE1 3.38Å; H457-Y505 WeakPolarHBondContact CD2-CE1 3.49Å; H457-Y505 AromaticContact NE2-CE1 3.82Å
458	L	98.6	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-47.9	170	-179.1	70.1	0	0	0	111	L396 F399 F454 N455 E456 L460 T461 I462 V498 Y505	L396-L458 HydrophobicContact CD1-CD1 3.98Å; L396-L458 HydrophobicContact CD1-CD2 3.53Å; L396-L458 HydrophobicContact CD1-CG 4.33Å; F399-L458 HydrophobicContact CD1-CD2 3.94Å; F399-L458 HydrophobicContact CE1-CD2 4.47Å; F454-L458 HydrophobicContact CB-CB 4.21Å; F454-L458 HydrophobicContact CB-CD2 3.43Å; F454-L458 VanDerWaalsContact CB-CD2 3.43Å; F454-L458 HydrophobicContact CB-CG 4.45Å; F454-L458 HydrophobicContact CD1-CD2 4.25Å; F454-L458 HydrophobicContact CD2-CD2 4.08Å; F454-L458 HydrophobicContact CG-CD2 3.66Å; N455-L458 WeakPolarHBondContact O-CB 3.34Å; N455-L458 PolarHBondContact O-N 3.07Å; N455-L458 PolarHBondContact OD1-N 3.41Å; E456-L458 PolarHBondContact O-N 2.89Å; L458-L460 VanDerWaalsContact C-N 3.35Å; L458-L460 PolarHBondContact O-N 3.25Å; L458-T461 WeakPolarHBondContact O-CB 3.26Å; L458-T461 PolarHBondContact O-N 3.24Å; L458-I462 HydrophobicContact CD1-CD1 4.21Å; L458-I462 HydrophobicContact CD1-CG1 4.45Å; L458-I462 HydrophobicContact CD2-CD1 4.24Å; L458-I462 HydrophobicContact CG-CD1 3.84Å; L458-I462 HydrophobicContact CG-CG1 4.43Å; L458-I462 WeakPolarHBondContact O-CG1 3.47Å; L458-I462 PolarHBondContact O-N 2.77Å; L458-V498 HydrophobicContact CD1-CB 4.48Å; L458-V498 HydrophobicContact CD1-CG1 3.57Å; L458-V498 HydrophobicContact CD1-CG2 3.99Å; L458-Y505 HydrophobicContact CB-CD1 3.95Å; L458-Y505 HydrophobicContact CB-CG 4.44Å; L458-Y505 HydrophobicContact CD1-CD1 4.06Å; L458-Y505 HydrophobicContact CD1-CG 4.16Å
459	L	98.8	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-42.8	-176.6	-56.5	-173.5	0	0	0	111.1	F399 I438 V441 W442 F454 E456 I462 L463 W530	F399-L459 HydrophobicContact CE1-CD2 3.64Å; F399-L459 HydrophobicContact CZ-CD2 3.98Å; I438-L459 HydrophobicContact CG2-CB 3.75Å; I438-L459 HydrophobicContact CG2-CD2 4.16Å; I438-L459 HydrophobicContact CG2-CG 4.36Å; V441-L459 HydrophobicContact CG1-CD1 4.17Å; V441-L459 HydrophobicContact CG1-CD2 4.11Å; W442-L459 HydrophobicContact CB-CD1 3.93Å; F454-L459 HydrophobicContact CD2-CD2 4.02Å; F454-L459 HydrophobicContact CD2-CG 4.39Å; F454-L459 HydrophobicContact CE2-CD1 4.4Å; F454-L459 HydrophobicContact CE2-CD2 3.7Å; F454-L459 HydrophobicContact CE2-CG 4.26Å; E456-L459 WeakPolarHBondContact O-CB 3.42Å; E456-L459 PolarHBondContact O-N 2.9Å; L459-I462 PolarHBondContact O-N 3.11Å; L459-L463 WeakPolarHBondContact O-CG 3.47Å; L459-L463 PolarHBondContact O-N 3.36Å; L459-L463 VanDerWaalsContact O-N 3.13Å; L459-W530 HydrophobicContact CB-CH2 3.73Å; L459-W530 HydrophobicContact CB-CZ2 3.96Å
460	L	98.3	Very high	97.7	Very high	24 Å²	24	20.2 Å²	20.2	13%	0.126	10%	0.101	C	C	.	.	H	α-helix	trans	-61.3	-45.7	172.4	-65.5	174.5	0	0	0	111.9	E456 L458 I462 L463 D464 W530 T532 Y533	E456-L460 HydrophobicContact CG-CD1 4.11Å; E456-L460 HydrophobicContact CG-CG 4.21Å; E456-L460 WeakPolarHBondContact O-CG 3.19Å; E456-L460 PolarHBondContact O-N 2.8Å; L458-L460 VanDerWaalsContact C-N 3.35Å; L458-L460 PolarHBondContact O-N 3.25Å; L460-I462 VanDerWaalsContact C-N 3.33Å; L460-I462 PolarHBondContact O-N 3.19Å; L460-L463 PolarHBondContact O-N 3.05Å; L460-D464 PolarHBondContact O-N 3.43Å; L460-W530 HydrophobicContact CD2-CH2 4.33Å; L460-W530 HydrophobicContact CD2-CZ2 3.69Å; L460-W530 HydrophobicContact CG-CZ2 4.1Å; L460-T532 WeakPolarHBondContact CD2-O 3.45Å; L460-Y533 HydrophobicContact CD2-CD2 3.81Å; L460-Y533 HydrophobicContact CD2-CG 4.25Å
461	T	98.7	Very high	98	Very high	12 Å²	12	18.1 Å²	18.1	7%	0.074	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-39.5	178.4	-64.5	0	0	0	0	112.2	H457 L458 H465 L494 Y505	H457-T461 VanDerWaalsContact O-CB 3.26Å; H457-T461 WeakPolarHBondContact O-CB 3.33Å; H457-T461 PolarHBondContact O-N 3.24Å; H457-T461 PolarHBondContact O-OG1 3.44Å; L458-T461 WeakPolarHBondContact O-CB 3.26Å; L458-T461 PolarHBondContact O-N 3.24Å; T461-H465 WeakPolarHBondContact O-CB 3.49Å; T461-H465 PolarHBondContact O-CD2 3.21Å; T461-H465 PolarHBondContact O-N 3.11Å; T461-L494 HydrophobicContact CG2-CD1 4.4Å; T461-Y505 HydrophobicContact CG2-CE1 4.13Å; T461-Y505 WeakPolarHBondContact OG1-CE1 3.43Å
462	I	98.9	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-45.4	174.7	-74.6	168.7	0	0	0	110.6	F399 I403 F434 I438 L458 L459 L460 H465 L466 F474 L494 W495	F399-I462 HydrophobicContact CD1-CD1 4.2Å; F399-I462 HydrophobicContact CE1-CD1 3.74Å; I403-I462 HydrophobicContact CD1-CD1 4.07Å; F434-I462 HydrophobicContact CE1-CG2 3.69Å; F434-I462 HydrophobicContact CZ-CG2 4.09Å; I438-I462 HydrophobicContact CD1-CG2 4.17Å; I438-I462 HydrophobicContact CG1-CG2 4.4Å; L458-I462 HydrophobicContact CD1-CD1 4.21Å; L458-I462 HydrophobicContact CD1-CG1 4.45Å; L458-I462 HydrophobicContact CD2-CD1 4.24Å; L458-I462 HydrophobicContact CG-CD1 3.84Å; L458-I462 HydrophobicContact CG-CG1 4.43Å; L458-I462 WeakPolarHBondContact O-CG1 3.47Å; L458-I462 PolarHBondContact O-N 2.77Å; L459-I462 PolarHBondContact O-N 3.11Å; L460-I462 VanDerWaalsContact C-N 3.33Å; L460-I462 PolarHBondContact O-N 3.19Å; I462-H465 PolarHBondContact O-N 2.92Å; I462-L466 WeakPolarHBondContact O-CB 3.22Å; I462-L466 PolarHBondContact O-N 3.16Å; I462-F474 HydrophobicContact CG2-CE2 4.18Å; I462-F474 HydrophobicContact CG2-CZ 3.96Å; I462-L494 HydrophobicContact CG1-CD2 4.2Å; I462-W495 HydrophobicContact CD1-CH2 4.16Å; I462-W495 HydrophobicContact CD1-CZ3 4.06Å; I462-W495 HydrophobicContact CG1-CH2 4.21Å; I462-W495 HydrophobicContact CG1-CZ3 3.99Å
463	L	98.8	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-72.5	-32.3	179.8	-65.9	-178.7	0	0	0	113.3	F434 V435 I438 L459 L460 L466 Y467 W530 Y533	F434-L463 HydrophobicContact CD1-CD2 4.5Å; V435-L463 HydrophobicContact CB-CD2 4.47Å; V435-L463 HydrophobicContact CG1-CD1 4.29Å; V435-L463 HydrophobicContact CG2-CD2 4.26Å; I438-L463 HydrophobicContact CB-CD1 4.15Å; I438-L463 HydrophobicContact CB-CD2 4.01Å; I438-L463 HydrophobicContact CB-CG 4.23Å; I438-L463 HydrophobicContact CG1-CD2 3.88Å; I438-L463 HydrophobicContact CG1-CG 4.42Å; I438-L463 HydrophobicContact CG2-CD1 3.83Å; I438-L463 HydrophobicContact CG2-CD2 4.28Å; I438-L463 HydrophobicContact CG2-CG 3.95Å; L459-L463 WeakPolarHBondContact O-CG 3.47Å; L459-L463 PolarHBondContact O-N 3.36Å; L459-L463 VanDerWaalsContact O-N 3.13Å; L460-L463 PolarHBondContact O-N 3.05Å; L463-L466 HydrophobicContact CD2-CD2 3.95Å; L463-L466 WeakPolarHBondContact O-CB 3.37Å; L463-Y467 WeakPolarHBondContact O-CD2 3.26Å; L463-Y467 WeakPolarHBondContact O-CE2 3.49Å; L463-W530 HydrophobicContact CD1-CH2 3.75Å; L463-W530 HydrophobicContact CD1-CZ3 3.57Å; L463-Y533 HydrophobicContact CB-CD2 4.39Å; L463-Y533 HydrophobicContact CB-CE2 3.66Å; L463-Y533 HydrophobicContact CD1-CD1 4.24Å; L463-Y533 HydrophobicContact CD1-CD2 3.86Å; L463-Y533 HydrophobicContact CD1-CE1 3.99Å; L463-Y533 HydrophobicContact CD1-CE2 3.58Å; L463-Y533 HydrophobicContact CD1-CG 4.18Å; L463-Y533 HydrophobicContact CG-CE2 4.27Å
464	D	98.6	Very high	98.2	Very high	51 Å²	51	15.8 Å²	15.8	27%	0.273	8%	0.076	S	C	.	.	H	α-helix	trans	-65.5	-43.1	171	-74.8	-29.4	0	0	0	111.1	L460 Y467 S468 R536	L460-D464 PolarHBondContact O-N 3.43Å; D464-Y467 PolarHBondContact O-N 3.06Å; D464-S468 WeakPolarHBondContact O-CB 3.23Å; D464-S468 PolarHBondContact O-N 3.15Å; D464-R536 VanDerWaalsContact CG-NH1 3.26Å; D464-R536 IonicContact OD1-CZ 3.03Å; D464-R536 IonicContact OD1-NH1 3.45Å; D464-R536 PolarHBondContact OD1-NH1 3.23Å; D464-R536 IonicContact OD1-NH2 3.56Å; D464-R536 PolarHBondContact OD1-NH2 3.23Å; D464-R536 IonicContact OD2-CZ 2.95Å; D464-R536 IonicContact OD2-NH1 2.91Å; D464-R536 PolarHBondContact OD2-NH1 3.47Å
465	H	98.8	Very high	98.3	Very high	24 Å²	24	15.9 Å²	15.9	11%	0.111	8%	0.076	C	C	.	.	H	α-helix	trans	-79.2	-20.3	-179.2	-73	-49.5	0	0	0	115.1	T461 I462 Y467 S468 F471 L494	T461-H465 WeakPolarHBondContact O-CB 3.49Å; T461-H465 PolarHBondContact O-CD2 3.21Å; T461-H465 PolarHBondContact O-N 3.11Å; I462-H465 PolarHBondContact O-N 2.92Å; H465-Y467 PolarHBondContact O-N 2.88Å; H465-S468 WeakPolarHBondContact CA-OG 3.29Å; H465-S468 PolarHBondContact ND1-OG 3.13Å; H465-S468 PolarHBondContact O-OG 2.95Å; H465-F471 HydrophobicContact CB-CD2 4.17Å; H465-F471 AromaticContact CD2-CE2 3.89Å; H465-F471 AromaticContact CE1-CE2 3.81Å; H465-F471 AromaticContact CG-CD2 3.8Å; H465-F471 AromaticContact CG-CE2 3.86Å; H465-F471 AromaticContact ND1-CD2 3.84Å; H465-F471 AromaticContact ND1-CE2 3.78Å; H465-F471 AromaticContact NE2-CE2 3.84Å; H465-L494 HydrophobicContact CB-CD1 3.77Å; H465-L494 HydrophobicContact CB-CD2 4Å; H465-L494 HydrophobicContact CB-CG 4.46Å; H465-L494 VanDerWaalsContact CD2-CD1 3.46Å; H465-L494 WeakPolarHBondContact CD2-CD1 3.42Å
466	L	98.8	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-51.7	-38.4	164.7	179.7	67.4	0	0	0	112.3	F414 I418 H420 F434 V435 I462 L463 F474	F414-L466 HydrophobicContact CD1-CD1 3.6Å; F414-L466 HydrophobicContact CE1-CD1 3.73Å; I418-L466 HydrophobicContact CD1-CD1 3.98Å; I418-L466 HydrophobicContact CD1-CD2 3.78Å; I418-L466 HydrophobicContact CD1-CG 3.83Å; I418-L466 HydrophobicContact CG1-CD1 3.94Å; I418-L466 HydrophobicContact CG1-CG 4.13Å; H420-L466 PolarHBondContact NE2-O 2.9Å; F434-L466 HydrophobicContact CD1-CD1 3.8Å; F434-L466 HydrophobicContact CD1-CD2 3.98Å; F434-L466 HydrophobicContact CD1-CG 4.44Å; F434-L466 HydrophobicContact CE1-CD1 4.35Å; V435-L466 HydrophobicContact CG2-CD2 4.12Å; I462-L466 WeakPolarHBondContact O-CB 3.22Å; I462-L466 PolarHBondContact O-N 3.16Å; L463-L466 HydrophobicContact CD2-CD2 3.95Å; L463-L466 WeakPolarHBondContact O-CB 3.37Å; L466-F474 HydrophobicContact CB-CD2 4.32Å; L466-F474 HydrophobicContact CD1-CB 4.11Å; L466-F474 HydrophobicContact CD1-CD1 4.38Å; L466-F474 HydrophobicContact CD1-CD2 4.3Å; L466-F474 HydrophobicContact CD1-CG 4.01Å
467	Y	98.6	Very high	98.6	Very high	12 Å²	12	16.7 Å²	16.7	5%	0.047	8%	0.079	C	C	.	.	H	α-helix	trans	-96.8	-35.7	-179.2	-58.7	-59.6	0	0	0	113.6	G86 K112 I418 V435 L463 D464 H465 C469	G86-Y467 CarbonylContact C-O 3.56Å; G86-Y467 WeakPolarHBondContact CA-O 3.38Å; K112-Y467 HydrophobicContact CB-CD1 3.74Å; K112-Y467 HydrophobicContact CB-CE1 3.72Å; K112-Y467 HydrophobicContact CB-CG 4.19Å; K112-Y467 HydrophobicContact CD-CD1 3.59Å; K112-Y467 HydrophobicContact CD-CE1 4.06Å; K112-Y467 HydrophobicContact CD-CG 4.41Å; K112-Y467 HydrophobicContact CG-CD1 4.28Å; K112-Y467 HydrophobicContact CG-CE1 4.42Å; I418-Y467 HydrophobicContact CD1-CE1 3.98Å; I418-Y467 HydrophobicContact CG2-CD1 3.54Å; I418-Y467 HydrophobicContact CG2-CE1 3.89Å; V435-Y467 VanDerWaalsContact CG2-OH 3.24Å; V435-Y467 WeakPolarHBondContact CG2-OH 3.48Å; L463-Y467 WeakPolarHBondContact O-CD2 3.26Å; L463-Y467 WeakPolarHBondContact O-CE2 3.49Å; D464-Y467 PolarHBondContact O-N 3.06Å; H465-Y467 PolarHBondContact O-N 2.88Å; Y467-C469 PolarHBondContact O-N 3.18Å; Y467-C469 PolarHBondContact O-SG 3.24Å; Y467-C469 VanDerWaalsContact O-SG 3.42Å
468	S	98.4	Very high	98.7	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-55	-29.1	-168.5	70.2	0	0	0	0	115.7	D464 H465 R470	D464-S468 WeakPolarHBondContact O-CB 3.23Å; D464-S468 PolarHBondContact O-N 3.15Å; H465-S468 WeakPolarHBondContact CA-OG 3.29Å; H465-S468 PolarHBondContact ND1-OG 3.13Å; H465-S468 PolarHBondContact O-OG 2.95Å; S468-R470 PolarHBondContact O-N 3.37Å; S468-R470 WeakPolarHBondContact OG-CB 3.46Å; S468-R470 PolarHBondContact OG-N 3.35Å; S468-R470 VanDerWaalsContact OG-N 3.1Å
469	C	98.5	Very high	98.6	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.034	6%	0.064	C	C	.	.			trans	53.9	26.2	-166.7	-54.6	0	0	0	0	113.9	L148 F149 A150 H420 Y467	L148-C469 HydrophobicContact CD2-CB 4.1Å; F149-C469 CarbonylContact C-O 3.6Å; A150-C469 WeakPolarHBondContact CA-O 3.4Å; A150-C469 WeakPolarHBondContact CB-O 3.27Å; A150-C469 PolarHBondContact N-O 3.05Å; H420-C469 PolarHBondContact CD2-SG 3.36Å; Y467-C469 PolarHBondContact O-N 3.18Å; Y467-C469 PolarHBondContact O-SG 3.24Å; Y467-C469 VanDerWaalsContact O-SG 3.42Å
470	R	98.6	Very high	98.6	Very high	38 Å²	38	13.8 Å²	13.8	14%	0.143	7%	0.067	C	C	.	.	S	Bend	trans	-75.4	-29	173.6	-175.6	177.3	174.5	-174.1	4.5	113.5	Y66 F149 N153 E155 S468	Y66-R470 HydrophobicContact CE2-CB 3.8Å; Y66-R470 HydrophobicContact CE2-CG 4.33Å; F149-R470 HydrophobicContact CD1-CG 4.47Å; F149-R470 HydrophobicContact CE1-CG 4.41Å; N153-R470 PolarHBondContact ND2-O 2.89Å; E155-R470 VanDerWaalsContact CD-NH2 3.26Å; E155-R470 IonicContact OE1-CZ 3.37Å; E155-R470 IonicContact OE1-NE 3.31Å; E155-R470 IonicContact OE1-NH2 3.14Å; E155-R470 PolarHBondContact OE1-NH2 3.34Å; E155-R470 IonicContact OE2-CZ 2.71Å; E155-R470 IonicContact OE2-NE 2.97Å; E155-R470 PolarHBondContact OE2-NE 3.06Å; E155-R470 IonicContact OE2-NH2 3.61Å; E155-R470 PolarHBondContact OE2-NH2 2.66Å; E155-R470 VanDerWaalsContact OE2-NH2 3.14Å; S468-R470 PolarHBondContact O-N 3.37Å; S468-R470 WeakPolarHBondContact OG-CB 3.46Å; S468-R470 PolarHBondContact OG-N 3.35Å; S468-R470 VanDerWaalsContact OG-N 3.1Å
471	F	98.8	Very high	98.6	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.026	7%	0.074	C	C	.	.	S	Bend	trans	-125.8	153.4	-175.6	-60.6	-69.1	0	0	0	110.4	Y157 H465 T473 V492 L494 L497	Y157-F471 HydrophobicContact CE2-CE1 4.22Å; H465-F471 HydrophobicContact CB-CD2 4.17Å; H465-F471 AromaticContact CD2-CE2 3.89Å; H465-F471 AromaticContact CE1-CE2 3.81Å; H465-F471 AromaticContact CG-CD2 3.8Å; H465-F471 AromaticContact CG-CE2 3.86Å; H465-F471 AromaticContact ND1-CD2 3.84Å; H465-F471 AromaticContact ND1-CE2 3.78Å; H465-F471 AromaticContact NE2-CE2 3.84Å; F471-T473 VanDerWaalsContact C-N 3.31Å; F471-T473 PolarHBondContact O-N 3.4Å; F471-V492 CarbonylContact C-O 3.32Å; F471-V492 VanDerWaalsContact CA-O 3.3Å; F471-V492 WeakPolarHBondContact CA-O 3.24Å; F471-V492 WeakPolarHBondContact CB-O 3.41Å; F471-V492 HydrophobicContact CD1-CB 4Å; F471-V492 HydrophobicContact CD1-CG1 3.98Å; F471-V492 HydrophobicContact CE1-CB 4.34Å; F471-V492 HydrophobicContact CE1-CG1 4Å; F471-L494 HydrophobicContact CB-CB 4.13Å; F471-L494 HydrophobicContact CD2-CB 4.05Å; F471-L494 HydrophobicContact CD2-CD1 3.74Å; F471-L494 HydrophobicContact CE2-CD1 3.81Å; F471-L494 HydrophobicContact CG-CB 4.1Å; F471-L497 HydrophobicContact CE1-CB 4.25Å; F471-L497 HydrophobicContact CE2-CB 4.36Å; F471-L497 HydrophobicContact CE2-CD2 3.76Å; F471-L497 HydrophobicContact CZ-CB 3.72Å; F471-L497 HydrophobicContact CZ-CD2 3.65Å; F471-L497 HydrophobicContact CZ-CG 4.29Å
472	G	98.7	Very high	98.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-72.1	-22	178.2	0	0	0	0	0	114.5	F474 L475 L487 T491 V492	G472-F474 PolarHBondContact O-N 3Å; G472-L475 WeakPolarHBondContact O-CB 3.21Å; G472-L475 PolarHBondContact O-N 3.34Å; G472-L487 WeakPolarHBondContact O-CD2 3.46Å; G472-T491 WeakPolarHBondContact CA-OG1 3.31Å; G472-V492 PolarHBondContact N-O 3.37Å
473	T	98.9	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-36.5	-166.2	-58	0	0	0	0	114.9	I408 F471 R482 S493 L494 W495	I408-T473 HydrophobicContact CD1-CG2 3.83Å; I408-T473 WeakPolarHBondContact CD1-O 3.23Å; F471-T473 VanDerWaalsContact C-N 3.31Å; F471-T473 PolarHBondContact O-N 3.4Å; T473-R482 VanDerWaalsContact O-CZ 3.23Å; T473-R482 PolarHBondContact O-NH1 3.26Å; T473-R482 PolarHBondContact O-NH2 2.95Å; T473-S493 PolarHBondContact OG1-OG 2.77Å; T473-L494 HydrophobicContact CG2-CB 4.34Å; T473-L494 PolarHBondContact OG1-N 2.91Å; T473-W495 HydrophobicContact CG2-CZ2 3.73Å
474	F	98.8	Very high	98.6	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.022	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	14.4	-179.3	-60	-57.8	0	0	0	114.5	I403 I408 F414 H420 F434 I462 L466 G472 L494 W495	I403-F474 HydrophobicContact CG2-CE1 3.8Å; I403-F474 HydrophobicContact CG2-CZ 4.28Å; I408-F474 HydrophobicContact CD1-CD1 4.42Å; I408-F474 HydrophobicContact CD1-CE1 4.34Å; F414-F474 WeakPolarHBondContact CB-O 3.4Å; F414-F474 HydrophobicContact CD1-CB 4.11Å; F414-F474 AromaticContact CD1-CD1 3.88Å; F414-F474 HydrophobicContact CD1-CD1 3.88Å; F414-F474 HydrophobicContact CD1-CG 4.33Å; F414-F474 HydrophobicContact CE1-CB 4.5Å; F414-F474 AromaticContact CE1-CD1 3.44Å; F414-F474 HydrophobicContact CE1-CD1 3.44Å; F414-F474 VanDerWaalsContact CE1-CD1 3.44Å; F414-F474 AromaticContact CE1-CE1 3.97Å; F414-F474 HydrophobicContact CE1-CE1 3.97Å; F414-F474 HydrophobicContact CE1-CG 4.23Å; F414-F474 HydrophobicContact CE2-CD1 4.13Å; F414-F474 HydrophobicContact CG-CB 4.4Å; F414-F474 HydrophobicContact CG-CD1 4.4Å; F414-F474 AromaticContact CZ-CD1 3.58Å; F414-F474 HydrophobicContact CZ-CD1 3.58Å; F414-F474 AromaticContact CZ-CE1 3.89Å; F414-F474 HydrophobicContact CZ-CE1 3.89Å; H420-F474 PolarHBondContact CE1-O 3.25Å; F434-F474 AromaticContact CE1-CE1 3.84Å; F434-F474 HydrophobicContact CE1-CE1 3.84Å; F434-F474 AromaticContact CE1-CZ 3.87Å; F434-F474 HydrophobicContact CE1-CZ 3.87Å; F434-F474 AromaticContact CZ-CE1 3.85Å; F434-F474 HydrophobicContact CZ-CE1 3.85Å; F434-F474 HydrophobicContact CZ-CZ 4.04Å; I462-F474 HydrophobicContact CG2-CE2 4.18Å; I462-F474 HydrophobicContact CG2-CZ 3.96Å; L466-F474 HydrophobicContact CB-CD2 4.32Å; L466-F474 HydrophobicContact CD1-CB 4.11Å; L466-F474 HydrophobicContact CD1-CD1 4.38Å; L466-F474 HydrophobicContact CD1-CD2 4.3Å; L466-F474 HydrophobicContact CD1-CG 4.01Å; G472-F474 PolarHBondContact O-N 3Å; F474-L494 HydrophobicContact CE2-CD2 3.72Å; F474-L494 HydrophobicContact CZ-CD2 4.39Å; F474-W495 HydrophobicContact CZ-CH2 4.21Å; F474-W495 HydrophobicContact CZ-CZ2 4.39Å
475	L	98.8	Very high	98.5	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	12%	0.124	C	C	.	.			trans	-82.5	159.4	177.6	-58.7	-172.7	0	0	0	112.8	L148 A150 Y151 H420 G472 R482 L487	L148-L475 HydrophobicContact CD1-CD1 3.89Å; L148-L475 HydrophobicContact CD1-CD2 3.86Å; L148-L475 HydrophobicContact CD1-CG 4.48Å; A150-L475 HydrophobicContact CB-CD1 3.86Å; Y151-L475 HydrophobicContact CE2-CD1 4.28Å; H420-L475 HydrophobicContact CB-CD2 4.38Å; G472-L475 WeakPolarHBondContact O-CB 3.21Å; G472-L475 PolarHBondContact O-N 3.34Å; L475-R482 PolarHBondContact O-NE 3.1Å; L475-R482 PolarHBondContact O-NH2 3.48Å; L475-L487 HydrophobicContact CB-CD1 4.33Å; L475-L487 HydrophobicContact CD1-CD1 4.23Å
476	Y	98.7	Very high	98.5	Very high	50 Å²	50	30 Å²	30	20%	0.196	14%	0.142	C	C	.	.	S	Bend	trans	59.1	-175.6	-179.3	-53.1	-73.9	0	0	0	114.6	Y151 A415 I481 R482 Q485 L487	Y151-Y476 HydrophobicContact CE2-CE2 4.35Å; Y151-Y476 WeakPolarHBondContact OH-CE2 3.33Å; Y151-Y476 PolarHBondContact OH-OH 3.3Å; A415-Y476 PolarHBondContact N-O 3.12Å; A415-Y476 VanDerWaalsContact N-O 3.17Å; Y476-I481 HydrophobicContact CD1-CG2 3.47Å; Y476-I481 VanDerWaalsContact CD1-CG2 3.47Å; Y476-I481 HydrophobicContact CE1-CG2 4.18Å; Y476-I481 HydrophobicContact CG-CG2 3.8Å; Y476-R482 HydrophobicContact CD2-CG 4.2Å; Y476-Q485 HydrophobicContact CD1-CG 4.49Å; Y476-Q485 HydrophobicContact CE1-CG 3.81Å; Y476-Q485 HydrophobicContact CE2-CB 3.99Å; Y476-Q485 HydrophobicContact CE2-CG 4.17Å; Y476-Q485 PolarHBondContact OH-OE1 3.42Å; Y476-L487 HydrophobicContact CD2-CD1 4.3Å; Y476-L487 HydrophobicContact CD2-CD2 4.38Å; Y476-L487 HydrophobicContact CE2-CD1 3.98Å
477	N	98.6	Very high	98.5	Very high	33 Å²	33	30 Å²	30	18%	0.176	14%	0.143	C	C	.	.	S	Bend	trans	-114.3	-15.5	-168.4	-79.5	-20.4	0	0	0	115.1	G411 K413 A415 S416	G411-N477 CarbonylContact C-O 3.59Å; G411-N477 WeakPolarHBondContact CA-O 3.36Å; K413-N477 WeakPolarHBondContact CA-OD1 3.3Å; K413-N477 HydrophobicContact CB-CB 4.33Å; K413-N477 WeakPolarHBondContact CB-OD1 3.41Å; K413-N477 HydrophobicContact CG-CB 4.14Å; K413-N477 PolarHBondContact O-OD1 3.32Å; A415-N477 WeakPolarHBondContact CB-OD1 3.29Å; A415-N477 PolarHBondContact N-OD1 3.49Å; A415-N477 VanDerWaalsContact N-OD1 3.14Å; S416-N477 PolarHBondContact N-OD1 3.46Å; S416-N477 VanDerWaalsContact N-OD1 3.13Å; S416-N477 PolarHBondContact OG-ND2 3.12Å
478	C	98.3	Very high	98.4	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.027	16%	0.155	C	C	.	.	S	Bend	trans	-164.4	166.4	-178.9	50.9	0	0	0	0	111.7	T195 S480 I481 R482	T195-C478 HydrophobicContact CG2-CB 4.12Å; C478-S480 PolarHBondContact O-N 3.29Å; C478-S480 PolarHBondContact SG-OG 2.89Å; C478-I481 PolarHBondContact O-N 2.73Å; C478-R482 WeakPolarHBondContact O-CG 3.32Å; C478-R482 PolarHBondContact O-N 3.14Å
479	E	98.3	Very high	98.4	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-42.9	-178.4	-159	173.8	-130.6	0	0	112.4	Y190 P197 T198 I481 R482 D483 R488	Y190-E479 HydrophobicContact CE1-CB 4.11Å; Y190-E479 VanDerWaalsContact OH-CG 3.3Å; Y190-E479 WeakPolarHBondContact OH-CG 3.1Å; P197-E479 VanDerWaalsContact CA-OE2 3.3Å; P197-E479 WeakPolarHBondContact CA-OE2 3.4Å; T198-E479 PolarHBondContact N-OE2 3.38Å; T198-E479 VanDerWaalsContact N-OE2 3.14Å; E479-I481 PolarHBondContact O-N 2.87Å; E479-R482 WeakPolarHBondContact O-CA 3.29Å; E479-R482 WeakPolarHBondContact O-CB 3.4Å; E479-R482 PolarHBondContact O-N 2.85Å; E479-D483 PolarHBondContact O-N 3.04Å; E479-R488 IonicContact OE1-CZ 2.72Å; E479-R488 IonicContact OE1-NH1 2.75Å; E479-R488 IonicContact OE1-NH2 3.01Å; E479-R488 PolarHBondContact OE1-NH2 3.16Å
480	S	98.5	Very high	98.4	Very high	7 Å²	7	42 Å²	42	5%	0.049	20%	0.203	C	C	.	.	H	α-helix	trans	-55.3	-46.7	179.8	61.4	0	0	0	0	113.9	Y190 D194 C478 R482 D483 Q484	Y190-S480 VanDerWaalsContact CG-CB 3.49Å; Y190-S480 VanDerWaalsContact CZ-CA 3.48Å; D194-S480 WeakPolarHBondContact O-CB 3.21Å; D194-S480 PolarHBondContact O-OG 2.66Å; C478-S480 PolarHBondContact O-N 3.29Å; C478-S480 PolarHBondContact SG-OG 2.89Å; S480-R482 VanDerWaalsContact C-N 3.35Å; S480-D483 PolarHBondContact O-N 2.79Å; S480-Q484 WeakPolarHBondContact O-CB 3.39Å; S480-Q484 VanDerWaalsContact O-CG 3.22Å; S480-Q484 WeakPolarHBondContact O-CG 3.37Å; S480-Q484 PolarHBondContact O-N 2.96Å
481	I	98.4	Very high	98.4	Very high	56 Å²	56	40.7 Å²	40.7	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-68.8	-36.1	177.5	-61.4	172.9	0	0	0	110.6	Y476 C478 E479 D483 Q484 Q485	Y476-I481 HydrophobicContact CD1-CG2 3.47Å; Y476-I481 VanDerWaalsContact CD1-CG2 3.47Å; Y476-I481 HydrophobicContact CE1-CG2 4.18Å; Y476-I481 HydrophobicContact CG-CG2 3.8Å; C478-I481 PolarHBondContact O-N 2.73Å; E479-I481 PolarHBondContact O-N 2.87Å; I481-D483 VanDerWaalsContact C-N 3.34Å; I481-D483 PolarHBondContact O-N 3.44Å; I481-Q484 PolarHBondContact O-N 3.09Å; I481-Q485 HydrophobicContact CG2-CG 4.27Å; I481-Q485 WeakPolarHBondContact O-CB 3.44Å; I481-Q485 WeakPolarHBondContact O-CG 3.46Å; I481-Q485 PolarHBondContact O-N 2.94Å
482	R	98.6	Very high	98.4	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.011	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-39.7	177.6	-66.8	176.5	169.8	-138.7	-1.1	111.8	T473 L475 Y476 C478 E479 S480 E486 L487	T473-R482 VanDerWaalsContact O-CZ 3.23Å; T473-R482 PolarHBondContact O-NH1 3.26Å; T473-R482 PolarHBondContact O-NH2 2.95Å; L475-R482 PolarHBondContact O-NE 3.1Å; L475-R482 PolarHBondContact O-NH2 3.48Å; Y476-R482 HydrophobicContact CD2-CG 4.2Å; C478-R482 WeakPolarHBondContact O-CG 3.32Å; C478-R482 PolarHBondContact O-N 3.14Å; E479-R482 WeakPolarHBondContact O-CA 3.29Å; E479-R482 WeakPolarHBondContact O-CB 3.4Å; E479-R482 PolarHBondContact O-N 2.85Å; S480-R482 VanDerWaalsContact C-N 3.35Å; R482-E486 PolarHBondContact O-N 2.9Å; R482-L487 HydrophobicContact CB-CB 4.17Å; R482-L487 HydrophobicContact CB-CD2 3.95Å; R482-L487 HydrophobicContact CG-CD2 3.68Å; R482-L487 WeakPolarHBondContact O-CB 3.38Å; R482-L487 PolarHBondContact O-N 3Å
483	D	98.1	Very high	98.4	Very high	67 Å²	67	41.5 Å²	41.5	36%	0.358	21%	0.205	S	C	.	.	H	α-helix	trans	-69.6	-45.1	175.6	-73.9	-8.3	0	0	0	111.5	Y190 E479 S480 I481 Q485 E486 R488	Y190-D483 PolarHBondContact OH-OD2 3.36Å; E479-D483 PolarHBondContact O-N 3.04Å; S480-D483 PolarHBondContact O-N 2.79Å; I481-D483 VanDerWaalsContact C-N 3.34Å; I481-D483 PolarHBondContact O-N 3.44Å; D483-Q485 PolarHBondContact O-N 3.08Å; D483-E486 WeakPolarHBondContact O-CA 3.49Å; D483-E486 PolarHBondContact O-N 3.05Å; D483-R488 IonicContact OD1-NH1 3.3Å
484	Q	98.2	Very high	98.4	Very high	137 Å²	137	41.5 Å²	41.5	64%	0.64	21%	0.205	S	C	*	.	H	α-helix	trans	-57.6	-31.2	175	-73.9	168.1	16.1	0	0	113.3	S480 I481	S480-Q484 WeakPolarHBondContact O-CB 3.39Å; S480-Q484 VanDerWaalsContact O-CG 3.22Å; S480-Q484 WeakPolarHBondContact O-CG 3.37Å; S480-Q484 PolarHBondContact O-N 2.96Å; I481-Q484 PolarHBondContact O-N 3.09Å
485	Q	98.1	Very high	98.4	Very high	84 Å²	84	41.2 Å²	41.2	39%	0.393	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	2.2	177.9	-61.4	-66	-62.2	0	0	112.8	Y476 I481 D483 L487	Y476-Q485 HydrophobicContact CD1-CG 4.49Å; Y476-Q485 HydrophobicContact CE1-CG 3.81Å; Y476-Q485 HydrophobicContact CE2-CB 3.99Å; Y476-Q485 HydrophobicContact CE2-CG 4.17Å; Y476-Q485 PolarHBondContact OH-OE1 3.42Å; I481-Q485 HydrophobicContact CG2-CG 4.27Å; I481-Q485 WeakPolarHBondContact O-CB 3.44Å; I481-Q485 WeakPolarHBondContact O-CG 3.46Å; I481-Q485 PolarHBondContact O-N 2.94Å; D483-Q485 PolarHBondContact O-N 3.08Å; Q485-L487 PolarHBondContact O-N 3.18Å
486	E	98.1	Very high	98.4	Very high	104 Å²	104	41.3 Å²	41.3	49%	0.486	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	35.5	-175.9	-57.4	170.6	-104.1	0	0	112.8	R482 D483 R488 S489 K490	R482-E486 PolarHBondContact O-N 2.9Å; D483-E486 WeakPolarHBondContact O-CA 3.49Å; D483-E486 PolarHBondContact O-N 3.05Å; E486-R488 VanDerWaalsContact C-N 3.27Å; E486-R488 PolarHBondContact O-N 3.27Å; E486-R488 VanDerWaalsContact O-N 3.13Å; E486-S489 PolarHBondContact O-N 3.2Å; E486-S489 PolarHBondContact O-OG 3.25Å; E486-K490 HydrophobicContact CB-CD 4.02Å; E486-K490 HydrophobicContact CB-CG 4.32Å; E486-K490 VanDerWaalsContact CD-NZ 3.26Å; E486-K490 PolarHBondContact O-N 3.23Å; E486-K490 VanDerWaalsContact O-N 3.12Å; E486-K490 WeakPolarHBondContact OE1-CE 3.41Å; E486-K490 IonicContact OE1-NZ 3.61Å; E486-K490 PolarHBondContact OE1-NZ 3.48Å; E486-K490 IonicContact OE2-NZ 3.54Å
487	L	98.3	Very high	98.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-51.3	-44.7	-169.1	176	74.4	0	0	0	112.7	Y151 W162 G472 L475 Y476 R482 Q485 S489 K490 T491	Y151-L487 HydrophobicContact CE2-CD1 4.44Å; W162-L487 HydrophobicContact CH2-CD2 3.89Å; W162-L487 HydrophobicContact CH2-CG 4.1Å; W162-L487 HydrophobicContact CZ2-CG 4.25Å; G472-L487 WeakPolarHBondContact O-CD2 3.46Å; L475-L487 HydrophobicContact CB-CD1 4.33Å; L475-L487 HydrophobicContact CD1-CD1 4.23Å; Y476-L487 HydrophobicContact CD2-CD1 4.3Å; Y476-L487 HydrophobicContact CD2-CD2 4.38Å; Y476-L487 HydrophobicContact CE2-CD1 3.98Å; R482-L487 HydrophobicContact CB-CB 4.17Å; R482-L487 HydrophobicContact CB-CD2 3.95Å; R482-L487 HydrophobicContact CG-CD2 3.68Å; R482-L487 WeakPolarHBondContact O-CB 3.38Å; R482-L487 PolarHBondContact O-N 3Å; Q485-L487 PolarHBondContact O-N 3.18Å; L487-S489 PolarHBondContact O-N 3.12Å; L487-K490 PolarHBondContact O-N 3.01Å; L487-T491 HydrophobicContact CD1-CG2 3.72Å; L487-T491 VanDerWaalsContact CD1-OG1 3.31Å; L487-T491 WeakPolarHBondContact CD1-OG1 3.46Å; L487-T491 PolarHBondContact O-N 3.43Å; L487-T491 PolarHBondContact O-OG1 3.08Å
488	R	97.5	Very high	98.3	Very high	83 Å²	83	37.9 Å²	37.9	31%	0.313	19%	0.189	S	C	.	.	H	α-helix	trans	-67.4	-19.4	-176	-61.7	-176	175.6	134	-7.4	113.6	W162 E479 D483 E486	W162-R488 HydrophobicContact CB-CB 4.46Å; W162-R488 HydrophobicContact CD2-CB 4.07Å; W162-R488 HydrophobicContact CD2-CG 3.88Å; W162-R488 HydrophobicContact CE3-CG 3.81Å; W162-R488 HydrophobicContact CG-CB 4.06Å; W162-R488 HydrophobicContact CG-CG 4.26Å; W162-R488 HydrophobicContact CZ3-CG 4.23Å; W162-R488 PolarHBondContact NE1-O 3.33Å; E479-R488 IonicContact OE1-CZ 2.72Å; E479-R488 IonicContact OE1-NH1 2.75Å; E479-R488 IonicContact OE1-NH2 3.01Å; E479-R488 PolarHBondContact OE1-NH2 3.16Å; D483-R488 IonicContact OD1-NH1 3.3Å; E486-R488 VanDerWaalsContact C-N 3.27Å; E486-R488 PolarHBondContact O-N 3.27Å; E486-R488 VanDerWaalsContact O-N 3.13Å
489	S	97.5	Very high	98.3	Very high	90 Å²	90	38.2 Å²	38.2	63%	0.629	19%	0.191	S	C	*	.	H	α-helix	trans	-100	-27	176	66.9	0	0	0	0	113.2	E486 L487	E486-S489 PolarHBondContact O-N 3.2Å; E486-S489 PolarHBondContact O-OG 3.25Å; L487-S489 PolarHBondContact O-N 3.12Å
490	K	98.3	Very high	98.2	Very high	99 Å²	99	39.6 Å²	39.6	43%	0.43	20%	0.202	S	C	.	.	H	α-helix	trans	-99.6	-4.7	-174.8	-65.6	178.6	-174.3	163.1	0	115.1	Y151 E486 L487	Y151-K490 HydrophobicContact CD1-CB 3.81Å; Y151-K490 HydrophobicContact CE1-CB 3.63Å; Y151-K490 HydrophobicContact CE1-CD 4.24Å; E486-K490 HydrophobicContact CB-CD 4.02Å; E486-K490 HydrophobicContact CB-CG 4.32Å; E486-K490 VanDerWaalsContact CD-NZ 3.26Å; E486-K490 PolarHBondContact O-N 3.23Å; E486-K490 VanDerWaalsContact O-N 3.12Å; E486-K490 WeakPolarHBondContact OE1-CE 3.41Å; E486-K490 IonicContact OE1-NZ 3.61Å; E486-K490 PolarHBondContact OE1-NZ 3.48Å; E486-K490 IonicContact OE2-NZ 3.54Å; L487-K490 PolarHBondContact O-N 3.01Å
491	T	98.7	Very high	98	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	22%	0.223	C	C	.	.	S	Bend	trans	-140.9	158.6	-179	69.8	0	0	0	0	111.5	A150 Y151 W162 G472 L487	A150-T491 HydrophobicContact CB-CG2 4.15Å; A150-T491 WeakPolarHBondContact O-CA 3.47Å; A150-T491 WeakPolarHBondContact O-CB 3.36Å; A150-T491 WeakPolarHBondContact O-CG2 3.48Å; Y151-T491 HydrophobicContact CD1-CG2 3.59Å; Y151-T491 HydrophobicContact CD2-CG2 3.89Å; Y151-T491 HydrophobicContact CE1-CG2 3.6Å; Y151-T491 HydrophobicContact CE2-CG2 3.87Å; Y151-T491 HydrophobicContact CG-CG2 3.75Å; W162-T491 WeakPolarHBondContact CZ2-OG1 3.25Å; W162-T491 PolarHBondContact NE1-O 2.76Å; G472-T491 WeakPolarHBondContact CA-OG1 3.31Å; L487-T491 HydrophobicContact CD1-CG2 3.72Å; L487-T491 VanDerWaalsContact CD1-OG1 3.31Å; L487-T491 WeakPolarHBondContact CD1-OG1 3.46Å; L487-T491 PolarHBondContact O-N 3.43Å; L487-T491 PolarHBondContact O-OG1 3.08Å
492	V	98.6	Very high	97.8	Very high	22 Å²	22	44.4 Å²	44.4	13%	0.133	22%	0.221	C	C	.	.			trans	-87.1	143.8	176.5	-173.3	0	0	0	0	110.7	Y157 F471 G472	Y157-V492 HydrophobicContact CD2-CG1 3.69Å; Y157-V492 HydrophobicContact CE2-CG1 3.77Å; F471-V492 CarbonylContact C-O 3.32Å; F471-V492 VanDerWaalsContact CA-O 3.3Å; F471-V492 WeakPolarHBondContact CA-O 3.24Å; F471-V492 WeakPolarHBondContact CB-O 3.41Å; F471-V492 HydrophobicContact CD1-CB 4Å; F471-V492 HydrophobicContact CD1-CG1 3.98Å; F471-V492 HydrophobicContact CE1-CB 4.34Å; F471-V492 HydrophobicContact CE1-CG1 4Å; G472-V492 PolarHBondContact N-O 3.37Å
493	S	98.8	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.			trans	-81	142.1	171.7	-177.2	0	0	0	0	111.6	T473 W495 S496	T473-S493 PolarHBondContact OG1-OG 2.77Å; S493-W495 PolarHBondContact O-N 2.91Å; S493-W495 PolarHBondContact OG-N 2.83Å; S493-S496 VanDerWaalsContact O-CB 3.24Å; S493-S496 WeakPolarHBondContact O-CB 3.45Å; S493-S496 PolarHBondContact O-N 3.43Å; S493-S496 PolarHBondContact O-OG 3.13Å
494	L	98.8	Very high	97.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.1	-35.7	168.9	173.4	59.7	0	0	0	111.4	T461 I462 H465 F471 T473 F474 S496 L497 V498	T461-L494 HydrophobicContact CG2-CD1 4.4Å; I462-L494 HydrophobicContact CG1-CD2 4.2Å; H465-L494 HydrophobicContact CB-CD1 3.77Å; H465-L494 HydrophobicContact CB-CD2 4Å; H465-L494 HydrophobicContact CB-CG 4.46Å; H465-L494 VanDerWaalsContact CD2-CD1 3.46Å; H465-L494 WeakPolarHBondContact CD2-CD1 3.42Å; F471-L494 HydrophobicContact CB-CB 4.13Å; F471-L494 HydrophobicContact CD2-CB 4.05Å; F471-L494 HydrophobicContact CD2-CD1 3.74Å; F471-L494 HydrophobicContact CE2-CD1 3.81Å; F471-L494 HydrophobicContact CG-CB 4.1Å; T473-L494 HydrophobicContact CG2-CB 4.34Å; T473-L494 PolarHBondContact OG1-N 2.91Å; F474-L494 HydrophobicContact CE2-CD2 3.72Å; F474-L494 HydrophobicContact CZ-CD2 4.39Å; L494-S496 PolarHBondContact O-N 3.37Å; L494-L497 WeakPolarHBondContact O-CB 3.47Å; L494-L497 PolarHBondContact O-N 3.45Å; L494-V498 HydrophobicContact CD1-CG2 4.21Å; L494-V498 HydrophobicContact CG-CG2 4.22Å; L494-V498 PolarHBondContact O-N 3.22Å
495	W	98.8	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-24.1	-179.4	-41.5	132.4	0	0	0	112.2	V164 Q400 I403 E404 I462 T473 F474 S493 V498 N499	V164-W495 HydrophobicContact CG1-CG 4.16Å; Q400-W495 HydrophobicContact CB-CD2 4.02Å; Q400-W495 HydrophobicContact CB-CE3 4.28Å; Q400-W495 HydrophobicContact CB-CG 4.34Å; Q400-W495 HydrophobicContact CG-CD2 3.79Å; Q400-W495 HydrophobicContact CG-CE3 3.56Å; Q400-W495 HydrophobicContact CG-CG 4.31Å; Q400-W495 HydrophobicContact CG-CH2 4.41Å; Q400-W495 HydrophobicContact CG-CZ3 3.9Å; I403-W495 HydrophobicContact CB-CZ2 4.23Å; I403-W495 HydrophobicContact CD1-CH2 3.96Å; I403-W495 HydrophobicContact CD1-CZ2 4.48Å; I403-W495 HydrophobicContact CG2-CH2 4.36Å; I403-W495 HydrophobicContact CG2-CZ2 3.95Å; E404-W495 PolarHBondContact OE1-NE1 3.24Å; I462-W495 HydrophobicContact CD1-CH2 4.16Å; I462-W495 HydrophobicContact CD1-CZ3 4.06Å; I462-W495 HydrophobicContact CG1-CH2 4.21Å; I462-W495 HydrophobicContact CG1-CZ3 3.99Å; T473-W495 HydrophobicContact CG2-CZ2 3.73Å; F474-W495 HydrophobicContact CZ-CH2 4.21Å; F474-W495 HydrophobicContact CZ-CZ2 4.39Å; S493-W495 PolarHBondContact O-N 2.91Å; S493-W495 PolarHBondContact OG-N 2.83Å; W495-V498 HydrophobicContact CE3-CG2 4.35Å; W495-V498 PolarHBondContact O-N 2.78Å; W495-N499 VanDerWaalsContact O-CB 3.24Å; W495-N499 WeakPolarHBondContact O-CB 3.47Å; W495-N499 VanDerWaalsContact O-CG 3.26Å; W495-N499 PolarHBondContact O-N 2.72Å; W495-N499 PolarHBondContact O-ND2 3.01Å
496	S	98.6	Very high	96.8	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-42	170.6	-54.8	0	0	0	0	111.7	Y157 E159 G161 S493 L494 S500	Y157-S496 WeakPolarHBondContact CD1-O 3.45Å; E159-S496 WeakPolarHBondContact O-CB 3.42Å; E159-S496 PolarHBondContact O-OG 3.22Å; G161-S496 PolarHBondContact N-OG 2.95Å; S493-S496 VanDerWaalsContact O-CB 3.24Å; S493-S496 WeakPolarHBondContact O-CB 3.45Å; S493-S496 PolarHBondContact O-N 3.43Å; S493-S496 PolarHBondContact O-OG 3.13Å; L494-S496 PolarHBondContact O-N 3.37Å; S496-S500 VanDerWaalsContact O-CB 3.3Å; S496-S500 WeakPolarHBondContact O-CB 3.19Å; S496-S500 PolarHBondContact O-N 2.91Å; S496-S500 PolarHBondContact O-OG 2.94Å
497	L	97.9	Very high	96.5	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-52.3	173.8	170.4	62.7	0	0	0	110.9	Y157 F471 L494 N499 S500 K501	Y157-L497 VanDerWaalsContact CE1-CA 3.44Å; Y157-L497 HydrophobicContact CE1-CB 3.77Å; Y157-L497 HydrophobicContact CE1-CD1 3.71Å; Y157-L497 HydrophobicContact CE1-CG 4.36Å; F471-L497 HydrophobicContact CE1-CB 4.25Å; F471-L497 HydrophobicContact CE2-CB 4.36Å; F471-L497 HydrophobicContact CE2-CD2 3.76Å; F471-L497 HydrophobicContact CZ-CB 3.72Å; F471-L497 HydrophobicContact CZ-CD2 3.65Å; F471-L497 HydrophobicContact CZ-CG 4.29Å; L494-L497 WeakPolarHBondContact O-CB 3.47Å; L494-L497 PolarHBondContact O-N 3.45Å; L497-N499 PolarHBondContact O-N 3.08Å; L497-S500 PolarHBondContact O-N 3.07Å; L497-S500 PolarHBondContact O-OG 3.18Å; L497-K501 HydrophobicContact CD1-CD 4.34Å; L497-K501 PolarHBondContact O-N 3.16Å
498	V	98.2	Very high	96	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-48.7	-175.9	173.6	0	0	0	0	111.2	L396 L458 L494 W495 S500 K501 M502 Y505	L396-V498 HydrophobicContact CD1-CG1 3.96Å; L458-V498 HydrophobicContact CD1-CB 4.48Å; L458-V498 HydrophobicContact CD1-CG1 3.57Å; L458-V498 HydrophobicContact CD1-CG2 3.99Å; L494-V498 HydrophobicContact CD1-CG2 4.21Å; L494-V498 HydrophobicContact CG-CG2 4.22Å; L494-V498 PolarHBondContact O-N 3.22Å; W495-V498 HydrophobicContact CE3-CG2 4.35Å; W495-V498 PolarHBondContact O-N 2.78Å; V498-S500 VanDerWaalsContact C-N 3.29Å; V498-S500 PolarHBondContact O-N 3.17Å; V498-K501 CarbonylContact O-C 3.53Å; V498-K501 VanDerWaalsContact O-C 3.32Å; V498-K501 PolarHBondContact O-N 3.4Å; V498-K501 VanDerWaalsContact O-N 3.09Å; V498-M502 PolarHBondContact O-N 3.35Å; V498-Y505 HydrophobicContact CB-CD2 4.37Å; V498-Y505 HydrophobicContact CB-CE2 4.25Å; V498-Y505 HydrophobicContact CG1-CD2 3.76Å; V498-Y505 HydrophobicContact CG1-CE2 4.13Å; V498-Y505 HydrophobicContact CG1-CG 4.24Å; V498-Y505 HydrophobicContact CG2-CE2 4.3Å
499	N	98.1	Very high	95.6	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.059	21%	0.208	C	C	.	.	H	α-helix	trans	-75.5	-17	-176.6	-61	-14.2	0	0	0	113	E159 R397 Q400 W495 L497 K501	E159-N499 PolarHBondContact OE1-ND2 2.84Å; R397-N499 PolarHBondContact NH1-ND2 3.43Å; Q400-N499 PolarHBondContact NE2-OD1 3.44Å; Q400-N499 PolarHBondContact OE1-ND2 3.03Å; Q400-N499 PolarHBondContact OE1-OD1 3.14Å; W495-N499 VanDerWaalsContact O-CB 3.24Å; W495-N499 WeakPolarHBondContact O-CB 3.47Å; W495-N499 VanDerWaalsContact O-CG 3.26Å; W495-N499 PolarHBondContact O-N 2.72Å; W495-N499 PolarHBondContact O-ND2 3.01Å; L497-N499 PolarHBondContact O-N 3.08Å; N499-K501 VanDerWaalsContact C-N 3.26Å; N499-K501 PolarHBondContact O-N 3.23Å
500	S	96.3	Very high	95.3	Very high	42 Å²	42	37.5 Å²	37.5	29%	0.294	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.5	168.9	75.3	0	0	0	0	114.2	Y157 S496 L497 V498	Y157-S500 WeakPolarHBondContact CD1-OG 3.33Å; S496-S500 VanDerWaalsContact O-CB 3.3Å; S496-S500 WeakPolarHBondContact O-CB 3.19Å; S496-S500 PolarHBondContact O-N 2.91Å; S496-S500 PolarHBondContact O-OG 2.94Å; L497-S500 PolarHBondContact O-N 3.07Å; L497-S500 PolarHBondContact O-OG 3.18Å; V498-S500 VanDerWaalsContact C-N 3.29Å; V498-S500 PolarHBondContact O-N 3.17Å
501	K	93.6	Very high	94.9	Very high	111 Å²	111	35.3 Å²	35.3	48%	0.483	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.1	44.9	-175.4	-63	-176	-178.6	-177.5	0	111.6	L497 V498 N499 D503 I504 Y505	L497-K501 HydrophobicContact CD1-CD 4.34Å; L497-K501 PolarHBondContact O-N 3.16Å; V498-K501 CarbonylContact O-C 3.53Å; V498-K501 VanDerWaalsContact O-C 3.32Å; V498-K501 PolarHBondContact O-N 3.4Å; V498-K501 VanDerWaalsContact O-N 3.09Å; N499-K501 VanDerWaalsContact C-N 3.26Å; N499-K501 PolarHBondContact O-N 3.23Å; K501-D503 PolarHBondContact O-N 3.31Å; K501-D503 VanDerWaalsContact O-N 3.14Å; K501-I504 HydrophobicContact CB-CD1 4.39Å; K501-I504 HydrophobicContact CB-CG1 4.36Å; K501-I504 WeakPolarHBondContact O-CG1 3.31Å; K501-I504 PolarHBondContact O-N 2.83Å; K501-Y505 HydrophobicContact CB-CE2 4.27Å; K501-Y505 WeakPolarHBondContact O-CD2 3.45Å
502	M	94.8	Very high	94.3	Very high	52 Å²	52	40 Å²	40	26%	0.256	21%	0.213	S	C	.	.	H	α-helix	trans	-54.2	-38.5	-172.6	-67.6	175.1	65.6	0	0	112.9	L396 V498 I504 Y505 L506	L396-M502 HydrophobicContact CD2-CB 4.07Å; L396-M502 HydrophobicContact CD2-CE 3.89Å; L396-M502 HydrophobicContact CD2-CG 3.93Å; V498-M502 PolarHBondContact O-N 3.35Å; M502-I504 VanDerWaalsContact C-N 3.25Å; M502-I504 PolarHBondContact O-N 2.98Å; M502-I504 VanDerWaalsContact O-N 3.09Å; M502-Y505 CarbonylContact O-C 3.55Å; M502-Y505 WeakPolarHBondContact O-CA 3.32Å; M502-Y505 WeakPolarHBondContact O-CB 3.38Å; M502-Y505 PolarHBondContact O-N 3.45Å; M502-L506 HydrophobicContact CB-CD1 4.46Å; M502-L506 WeakPolarHBondContact O-CG 3.42Å; M502-L506 PolarHBondContact O-N 3.47Å
503	D	91.1	Very high	93.3	Very high	135 Å²	135	41.6 Å²	41.6	72%	0.722	22%	0.219	S	C	*	.	H	α-helix	trans	-56.9	-29.8	-173.4	-45.7	-45.9	0	0	0	115	K501 Y505	K501-D503 PolarHBondContact O-N 3.31Å; K501-D503 VanDerWaalsContact O-N 3.14Å; D503-Y505 VanDerWaalsContact C-N 3.33Å
504	I	91.3	Very high	91.9	Very high	74 Å²	74	47.2 Å²	47.2	38%	0.379	26%	0.258	S	S	.	.	H	α-helix	trans	-81.1	-16.3	177	69.4	173.8	0	0	0	112.8	N455 K501 M502	N455-I504 PolarHBondContact ND2-O 3.22Å; K501-I504 HydrophobicContact CB-CD1 4.39Å; K501-I504 HydrophobicContact CB-CG1 4.36Å; K501-I504 WeakPolarHBondContact O-CG1 3.31Å; K501-I504 PolarHBondContact O-N 2.83Å; M502-I504 VanDerWaalsContact C-N 3.25Å; M502-I504 PolarHBondContact O-N 2.98Å; M502-I504 VanDerWaalsContact O-N 3.09Å
505	Y	95.3	Very high	90.6	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-103.2	-16.1	-177.8	-59.7	-58.1	0	0	0	113.8	F454 N455 H457 L458 T461 V498 K501 M502 D503	F454-Y505 CarbonylContact C-O 3.51Å; F454-Y505 VanDerWaalsContact CA-O 3.27Å; F454-Y505 WeakPolarHBondContact CA-O 3.45Å; N455-Y505 PolarHBondContact N-O 3.34Å; N455-Y505 PolarHBondContact ND2-O 3.33Å; N455-Y505 PolarHBondContact OD1-O 2.78Å; H457-Y505 AromaticContact CD2-CD1 3.74Å; H457-Y505 AromaticContact CD2-CE1 3.38Å; H457-Y505 WeakPolarHBondContact CD2-CE1 3.49Å; H457-Y505 AromaticContact NE2-CE1 3.82Å; L458-Y505 HydrophobicContact CB-CD1 3.95Å; L458-Y505 HydrophobicContact CB-CG 4.44Å; L458-Y505 HydrophobicContact CD1-CD1 4.06Å; L458-Y505 HydrophobicContact CD1-CG 4.16Å; T461-Y505 HydrophobicContact CG2-CE1 4.13Å; T461-Y505 WeakPolarHBondContact OG1-CE1 3.43Å; V498-Y505 HydrophobicContact CB-CD2 4.37Å; V498-Y505 HydrophobicContact CB-CE2 4.25Å; V498-Y505 HydrophobicContact CG1-CD2 3.76Å; V498-Y505 HydrophobicContact CG1-CE2 4.13Å; V498-Y505 HydrophobicContact CG1-CG 4.24Å; V498-Y505 HydrophobicContact CG2-CE2 4.3Å; K501-Y505 HydrophobicContact CB-CE2 4.27Å; K501-Y505 WeakPolarHBondContact O-CD2 3.45Å; M502-Y505 CarbonylContact O-C 3.55Å; M502-Y505 WeakPolarHBondContact O-CA 3.32Å; M502-Y505 WeakPolarHBondContact O-CB 3.38Å; M502-Y505 PolarHBondContact O-N 3.45Å; D503-Y505 VanDerWaalsContact C-N 3.33Å
506	L	94.8	Very high	90.1	Very high	51 Å²	51	54.8 Å²	54.8	27%	0.267	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-71.8	141.7	177.7	-67.7	173	0	0	0	111.8	L396 E453 N455 M502 P508	L396-L506 HydrophobicContact CB-CD2 4.39Å; L396-L506 HydrophobicContact CD2-CD2 3.92Å; L396-L506 HydrophobicContact CD2-CG 4.48Å; E453-L506 HydrophobicContact CG-CD2 3.65Å; E453-L506 CarbonylContact O-C 3.48Å; E453-L506 WeakPolarHBondContact O-CA 3.46Å; N455-L506 PolarHBondContact ND2-O 2.75Å; M502-L506 HydrophobicContact CB-CD1 4.46Å; M502-L506 WeakPolarHBondContact O-CG 3.42Å; M502-L506 PolarHBondContact O-N 3.47Å; L506-P508 WeakPolarHBondContact O-CD 3.16Å
507	N	92.1	Very high	90	Very high	21 Å²	21	56.1 Å²	56.1	11%	0.112	32%	0.317	C	S	.	.			trans	-84.3	114.7	170.6	176.2	12.3	0	0	0	109.2	P449 F452 E453 N455 F509 Y510	P449-N507 PolarHBondContact O-ND2 3.18Å; F452-N507 VanDerWaalsContact O-CB 3.25Å; F452-N507 WeakPolarHBondContact O-CB 3.39Å; F452-N507 PolarHBondContact O-ND2 2.99Å; E453-N507 PolarHBondContact O-N 2.76Å; N455-N507 HydrophobicContact CB-CB 4.41Å; N507-F509 PolarHBondContact O-N 3.03Å; N507-F509 VanDerWaalsContact O-N 3.15Å; N507-F509 PolarHBondContact OD1-N 2.85Å; N507-Y510 WeakPolarHBondContact O-CB 3.29Å; N507-Y510 PolarHBondContact O-N 3.45Å
508	P	87.2	Confident	90	Very high	25 Å²	25	55.7 Å²	55.7	16%	0.162	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.3	178	14.8	-24.6	0	0	0	114.6	L506 Y553 L557	L506-P508 WeakPolarHBondContact O-CD 3.16Å; P508-Y553 HydrophobicContact CB-CD1 3.31Å; P508-Y553 HydrophobicContact CB-CE1 3.47Å; P508-Y553 VanDerWaalsContact CB-CE1 3.47Å; P508-Y553 HydrophobicContact CB-CG 4.35Å; P508-Y553 HydrophobicContact CG-CD1 4.17Å; P508-Y553 WeakPolarHBondContact O-CE1 3.49Å; P508-L557 HydrophobicContact CB-CD1 3.88Å
509	F	88.2	Confident	89.9	Confident	59 Å²	59	60 Å²	60	26%	0.259	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	5.2	-176.3	-56.5	-74.2	0	0	0	113.7	T450 N507 T511 V549 E550 Y553	T450-F509 WeakPolarHBondContact CA-O 3.42Å; T450-F509 VanDerWaalsContact CB-O 3.25Å; T450-F509 WeakPolarHBondContact CB-O 3.48Å; T450-F509 HydrophobicContact CG2-CB 4.33Å; T450-F509 WeakPolarHBondContact CG2-O 3.44Å; N507-F509 PolarHBondContact O-N 3.03Å; N507-F509 VanDerWaalsContact O-N 3.15Å; N507-F509 PolarHBondContact OD1-N 2.85Å; F509-T511 PolarHBondContact O-N 2.78Å; F509-V549 HydrophobicContact CZ-CG1 4.17Å; F509-E550 HydrophobicContact CE2-CG 4.29Å; F509-Y553 HydrophobicContact CD1-CD2 4.04Å; F509-Y553 AromaticContact CD1-CE2 3.94Å; F509-Y553 HydrophobicContact CD1-CE2 3.94Å; F509-Y553 HydrophobicContact CD1-CG 4.39Å; F509-Y553 HydrophobicContact CE1-CD1 4.28Å; F509-Y553 AromaticContact CE1-CD2 3.27Å; F509-Y553 HydrophobicContact CE1-CD2 3.27Å; F509-Y553 AromaticContact CE1-CE2 3.63Å; F509-Y553 HydrophobicContact CE1-CE2 3.63Å; F509-Y553 AromaticContact CE1-CG 3.6Å; F509-Y553 HydrophobicContact CE1-CG 3.6Å; F509-Y553 HydrophobicContact CZ-CD1 4.46Å; F509-Y553 AromaticContact CZ-CD2 3.89Å; F509-Y553 HydrophobicContact CZ-CD2 3.89Å; F509-Y553 AromaticContact CZ-CG 3.77Å; F509-Y553 HydrophobicContact CZ-CG 3.77Å
510	Y	92.8	Very high	89.9	Confident	51 Å²	51	59.8 Å²	59.8	20%	0.2	33%	0.331	C	S	.	.			trans	-62.2	122.8	-174.3	177.2	-125.6	0	0	0	113	T450 E453 N507 P512	T450-Y510 CarbonylContact O-C 3.28Å; T450-Y510 WeakPolarHBondContact O-CA 3.22Å; T450-Y510 WeakPolarHBondContact O-CD2 3.42Å; E453-Y510 VanDerWaalsContact CA-CG 3.46Å; E453-Y510 HydrophobicContact CB-CD1 3.66Å; E453-Y510 HydrophobicContact CB-CD2 4.06Å; E453-Y510 HydrophobicContact CB-CE1 3.71Å; E453-Y510 HydrophobicContact CB-CE2 4.13Å; E453-Y510 HydrophobicContact CB-CG 3.84Å; E453-Y510 HydrophobicContact CG-CD1 3.62Å; E453-Y510 HydrophobicContact CG-CE1 3.82Å; E453-Y510 HydrophobicContact CG-CG 4.19Å; E453-Y510 VanDerWaalsContact N-CD2 3.35Å; N507-Y510 WeakPolarHBondContact O-CB 3.29Å; N507-Y510 PolarHBondContact O-N 3.45Å; Y510-P512 HydrophobicContact CD1-CG 4.31Å; Y510-P512 HydrophobicContact CE1-CB 4.43Å; Y510-P512 HydrophobicContact CE1-CG 3.88Å
511	T	89.1	Confident	90	Very high	52 Å²	52	60.9 Å²	60.9	32%	0.319	34%	0.336	S	S	.	.			trans	-104.9	120.1	170.3	46.1	0	0	0	0	109.6	T450 F509 E513	T450-T511 VanDerWaalsContact CB-OG1 3.26Å; T450-T511 WeakPolarHBondContact CB-OG1 2.81Å; T450-T511 PolarHBondContact O-N 2.79Å; T450-T511 PolarHBondContact O-OG1 2.79Å; T450-T511 PolarHBondContact OG1-OG1 2.99Å; F509-T511 PolarHBondContact O-N 2.78Å; T511-E513 VanDerWaalsContact C-N 3.25Å; T511-E513 WeakPolarHBondContact CB-OE1 3.36Å; T511-E513 PolarHBondContact O-N 2.89Å; T511-E513 PolarHBondContact OG1-OE1 2.91Å
512	P	86.9	Confident	90.2	Very high	109 Å²	109	56.5 Å²	56.5	71%	0.708	32%	0.32	S	S	*	.			trans	-67.2	77	174.6	-24.4	35.9	0	0	0	113.4	Y510 S514	Y510-P512 HydrophobicContact CD1-CG 4.31Å; Y510-P512 HydrophobicContact CE1-CB 4.43Å; Y510-P512 HydrophobicContact CE1-CG 3.88Å; P512-S514 PolarHBondContact O-N 2.97Å
513	E	77.4	Confident	90.3	Very high	57 Å²	57	55.4 Å²	55.4	27%	0.266	32%	0.317	S	S	.	.			trans	-88.7	93.6	179.7	-74.5	164.5	-155.1	0	0	111.1	S391 T511 G515	S391-E513 WeakPolarHBondContact CB-O 3.43Å; T511-E513 VanDerWaalsContact C-N 3.25Å; T511-E513 WeakPolarHBondContact CB-OE1 3.36Å; T511-E513 PolarHBondContact O-N 2.89Å; T511-E513 PolarHBondContact OG1-OE1 2.91Å; E513-G515 PolarHBondContact O-N 3.04Å
514	S	69.5	Low	90.5	Very high	117 Å²	117	53.2 Å²	53.2	82%	0.818	30%	0.304	S	S	*	.	S	Bend	trans	-70.7	121.1	176.6	-175.2	0	0	0	0	111.3	P512 Q516	P512-S514 PolarHBondContact O-N 2.97Å; S514-Q516 PolarHBondContact O-N 2.93Å
515	G	71.5	Confident	90.7	Very high	56 Å²	56	60 Å²	60	58%	0.577	33%	0.325	S	S	*	.	S	Bend	trans	87	-8	168.2	0	0	0	0	0	117	E513 V517	E513-G515 PolarHBondContact O-N 3.04Å; G515-V517 PolarHBondContact O-N 3.48Å
516	Q	88.4	Confident	90.7	Very high	104 Å²	104	63.8 Å²	63.8	49%	0.486	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-70.8	118.6	174.8	177.8	168.4	-37.4	0	0	110.8	R394 S514	R394-Q516 PolarHBondContact NH1-O 2.78Å; R394-Q516 PolarHBondContact NH2-O 3.3Å; S514-Q516 PolarHBondContact O-N 2.93Å
517	V	95.6	Very high	90.9	Very high	31 Å²	31	61.9 Å²	61.9	19%	0.188	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-76.3	135.7	173.4	-176.1	0	0	0	0	110.2	M388 L389 G515 Y519	M388-V517 WeakPolarHBondContact O-CA 3.29Å; L389-V517 HydrophobicContact CD2-CG1 4.07Å; L389-V517 HydrophobicContact CD2-CG2 4.2Å; G515-V517 PolarHBondContact O-N 3.48Å; V517-Y519 HydrophobicContact CB-CE2 3.93Å; V517-Y519 HydrophobicContact CG1-CD2 4.25Å; V517-Y519 HydrophobicContact CG1-CE1 4.12Å; V517-Y519 HydrophobicContact CG1-CE2 3.6Å
518	L	97.2	Very high	91.1	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-95.9	128.9	177.1	-54.1	-177.5	0	0	0	111.5	M388 F448 A451 F452 P520	M388-L518 VanDerWaalsContact CB-O 3.24Å; M388-L518 WeakPolarHBondContact CB-O 3.42Å; M388-L518 VanDerWaalsContact CG-O 3.25Å; M388-L518 WeakPolarHBondContact CG-O 3.37Å; M388-L518 PolarHBondContact O-N 3.11Å; F448-L518 HydrophobicContact CB-CD1 4.3Å; F448-L518 HydrophobicContact CD1-CD2 3.99Å; F448-L518 HydrophobicContact CD2-CB 4.16Å; F448-L518 HydrophobicContact CD2-CD1 3.98Å; F448-L518 HydrophobicContact CD2-CD2 4.46Å; F448-L518 HydrophobicContact CD2-CG 4.43Å; F448-L518 HydrophobicContact CE1-CD2 4.28Å; F448-L518 HydrophobicContact CE2-CB 3.92Å; F448-L518 HydrophobicContact CG-CD1 4.13Å; F448-L518 HydrophobicContact CG-CD2 4.09Å; F448-L518 HydrophobicContact CZ-CB 4.17Å; A451-L518 HydrophobicContact CB-CD1 3.82Å; A451-L518 HydrophobicContact CB-CD2 4.07Å; F452-L518 HydrophobicContact CE2-CD1 3.9Å; F452-L518 HydrophobicContact CZ-CD1 3.99Å; L518-P520 WeakPolarHBondContact O-CD 3.09Å
519	Y	97.4	Very high	91.6	Very high	90 Å²	90	65 Å²	65	35%	0.353	35%	0.345	S	S	.	.			trans	-118.9	85.3	176.2	-68.7	-71.5	0	0	0	110.6	I355 D359 S362 V517	I355-Y519 HydrophobicContact CG2-CD1 4.38Å; D359-Y519 HydrophobicContact CB-CE1 3.98Å; S362-Y519 WeakPolarHBondContact CB-OH 3.13Å; S362-Y519 PolarHBondContact OG-OH 2.67Å; V517-Y519 HydrophobicContact CB-CE2 3.93Å; V517-Y519 HydrophobicContact CG1-CD2 4.25Å; V517-Y519 HydrophobicContact CG1-CE1 4.12Å; V517-Y519 HydrophobicContact CG1-CE2 3.6Å
520	P	97.6	Very high	92	Very high	7 Å²	7	62.2 Å²	62.2	5%	0.045	33%	0.332	C	S	.	.			trans	-64.1	151.2	178.9	22.8	-30.4	0	0	0	112.2	L351 I355 M388 M444 Q447 F448 L518 A522	L351-P520 HydrophobicContact CD2-CG 4.44Å; I355-P520 HydrophobicContact CD1-CG 4.11Å; I355-P520 WeakPolarHBondContact CD1-O 3.1Å; I355-P520 HydrophobicContact CG1-CG 4.05Å; M388-P520 HydrophobicContact CE-CG 3.74Å; M388-P520 HydrophobicContact SD-CG 4.47Å; M444-P520 HydrophobicContact CG-CB 4.17Å; M444-P520 HydrophobicContact CG-CG 3.97Å; M444-P520 HydrophobicContact SD-CG 4.15Å; Q447-P520 VanDerWaalsContact OE1-CA 3.3Å; F448-P520 HydrophobicContact CE2-CB 3.92Å; F448-P520 HydrophobicContact CE2-CG 4.5Å; L518-P520 WeakPolarHBondContact O-CD 3.09Å; P520-A522 PolarHBondContact O-N 3.35Å
521	V	98.2	Very high	92.1	Very high	66 Å²	66	62.4 Å²	62.4	40%	0.4	34%	0.339	S	S	.	.			trans	-85.3	95.1	175.9	-174.8	0	0	0	0	109.5	Q447 S523 H526	Q447-V521 PolarHBondContact NE2-O 3.11Å; V521-S523 VanDerWaalsContact C-N 3.25Å; V521-S523 PolarHBondContact O-N 2.97Å; V521-H526 HydrophobicContact CB-CB 4.11Å; V521-H526 HydrophobicContact CG1-CB 4.11Å
522	A	97.4	Very high	92.3	Very high	18 Å²	18	61.2 Å²	61.2	15%	0.149	33%	0.331	C	S	.	.			trans	-74.7	73.4	173.8	0	0	0	0	0	111.7	K348 L351 S352 I355 P520	K348-A522 HydrophobicContact CG-CB 4.44Å; K348-A522 WeakPolarHBondContact CG-O 3.38Å; L351-A522 HydrophobicContact CB-CB 3.92Å; S352-A522 VanDerWaalsContact OG-CB 3.25Å; S352-A522 WeakPolarHBondContact OG-CB 3.32Å; I355-A522 HydrophobicContact CD1-CB 3.65Å; P520-A522 PolarHBondContact O-N 3.35Å
523	S	97.5	Very high	92.7	Very high	29 Å²	29	56.1 Å²	56.1	20%	0.203	30%	0.298	C	S	.	.	S	Bend	trans	-137.3	141.4	-179.3	-174.7	0	0	0	0	110.8	V521 R525 H526 L527	V521-S523 VanDerWaalsContact C-N 3.25Å; V521-S523 PolarHBondContact O-N 2.97Å; S523-R525 PolarHBondContact O-N 2.99Å; S523-H526 PolarHBondContact O-N 2.91Å; S523-L527 WeakPolarHBondContact O-CG 3.42Å; S523-L527 PolarHBondContact O-N 3.44Å
524	M	95.6	Very high	93.7	Very high	90 Å²	90	53.4 Å²	53.4	44%	0.443	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-15.6	175.5	-57	-61.1	-72.9	0	0	113.7	L344 E345 K348	L344-M524 HydrophobicContact CB-CE 3.79Å; L344-M524 HydrophobicContact CB-SD 4.25Å; E345-M524 HydrophobicContact CB-SD 4.46Å; K348-M524 HydrophobicContact CB-SD 4.44Å; K348-M524 HydrophobicContact CD-CG 4.33Å; K348-M524 HydrophobicContact CD-SD 4.19Å
525	R	95.3	Very high	94.8	Very high	216 Å²	216	48.6 Å²	48.6	82%	0.815	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.6	174.7	-60.2	-176	-64.2	170.8	1.9	114.6	S523	S523-R525 PolarHBondContact O-N 2.99Å
526	H	95.5	Very high	95.8	Very high	89 Å²	89	46.6 Å²	46.6	41%	0.412	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-8.5	-173.8	-64.9	76.9	0	0	0	113.2	Q447 V521 S523	Q447-H526 PolarHBondContact NE2-O 3.21Å; V521-H526 HydrophobicContact CB-CB 4.11Å; V521-H526 HydrophobicContact CG1-CB 4.11Å; S523-H526 PolarHBondContact O-N 2.91Å
527	L	97.7	Very high	95.8	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.052	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-93.9	128.2	174	-61.9	173.3	0	0	0	108.6	I347 K348 L351 Q443 S523	I347-L527 HydrophobicContact CG2-CD1 4.24Å; I347-L527 HydrophobicContact CG2-CD2 4.35Å; K348-L527 HydrophobicContact CB-CD1 3.59Å; K348-L527 HydrophobicContact CG-CD1 4.31Å; L351-L527 HydrophobicContact CD1-CD2 3.6Å; Q443-L527 HydrophobicContact CB-CD2 4.01Å; Q443-L527 HydrophobicContact CG-CD2 3.87Å; S523-L527 WeakPolarHBondContact O-CG 3.42Å; S523-L527 PolarHBondContact O-N 3.44Å
528	E	97.3	Very high	95.4	Very high	95 Å²	95	43.4 Å²	43.4	44%	0.444	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-101.5	154.2	-179.9	-70.2	174	-138.5	0	0	109.8	L344 W442 Q443 K446	L344-E528 WeakPolarHBondContact CD2-O 3.47Å; W442-E528 HydrophobicContact CH2-CB 3.7Å; W442-E528 HydrophobicContact CZ3-CB 3.89Å; Q443-E528 PolarHBondContact NE2-O 3.41Å; K446-E528 VanDerWaalsContact CE-CD 3.44Å; K446-E528 WeakPolarHBondContact CE-OE1 3.24Å; K446-E528 WeakPolarHBondContact CE-OE2 3.3Å; K446-E528 IonicContact NZ-OE1 2.73Å; K446-E528 PolarHBondContact NZ-OE1 3.4Å; K446-E528 IonicContact NZ-OE2 3.31Å; K446-E528 PolarHBondContact NZ-OE2 2.71Å
529	L	97.8	Very high	94.5	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.089	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-73	131.2	163	179.9	66.1	0	0	0	108.8	L321 V325 W334 L338 V531 Y534 I535	L321-L529 HydrophobicContact CD1-CD1 3.89Å; L321-L529 HydrophobicContact CD1-CD2 4.44Å; L321-L529 HydrophobicContact CD2-CD1 4.06Å; V325-L529 HydrophobicContact CG1-CD2 4.3Å; W334-L529 HydrophobicContact CH2-CD2 3.44Å; W334-L529 VanDerWaalsContact CH2-CD2 3.44Å; W334-L529 HydrophobicContact CZ2-CD2 3.51Å; L338-L529 HydrophobicContact CD1-CD1 4.26Å; L338-L529 HydrophobicContact CD1-CD2 4.28Å; L338-L529 HydrophobicContact CD2-CB 4.33Å; L529-V531 VanDerWaalsContact C-N 3.27Å; L529-V531 PolarHBondContact O-N 2.76Å; L529-Y534 HydrophobicContact CD1-CD2 3.56Å; L529-Y534 HydrophobicContact CD1-CE2 4.09Å; L529-Y534 HydrophobicContact CD1-CG 4.31Å; L529-Y534 HydrophobicContact CG-CD2 4.27Å; L529-I535 HydrophobicContact CD2-CD1 4.03Å
530	W	97.3	Very high	93.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.			trans	-73.7	76.1	178.6	-169.6	12.4	0	0	0	112.3	I438 D439 W442 E456 L459 L460 L463 T532 Y533 Y534	I438-W530 HydrophobicContact CG2-CH2 3.72Å; I438-W530 HydrophobicContact CG2-CZ3 3.84Å; D439-W530 HydrophobicContact CB-CE3 4.16Å; W442-W530 HydrophobicContact CB-CD2 4.09Å; W442-W530 HydrophobicContact CB-CE3 4.18Å; W442-W530 HydrophobicContact CB-CH2 4.42Å; W442-W530 HydrophobicContact CB-CZ2 4.3Å; W442-W530 HydrophobicContact CB-CZ3 4.34Å; W442-W530 AromaticContact CD1-CD1 3.79Å; W442-W530 AromaticContact CD1-CE2 3.53Å; W442-W530 AromaticContact CD1-CZ2 3.97Å; W442-W530 AromaticContact CD1-NE1 3.3Å; W442-W530 VanDerWaalsContact CD1-NE1 3.3Å; W442-W530 HydrophobicContact CD2-CB 4.03Å; W442-W530 AromaticContact CD2-CD1 3.53Å; W442-W530 AromaticContact CD2-CD2 3.95Å; W442-W530 HydrophobicContact CD2-CD2 3.95Å; W442-W530 AromaticContact CD2-CG 3.6Å; W442-W530 HydrophobicContact CD2-CG 3.6Å; W442-W530 AromaticContact CD2-NE1 3.87Å; W442-W530 AromaticContact CE2-CD1 3.19Å; W442-W530 AromaticContact CE2-CG 3.75Å; W442-W530 AromaticContact CE2-NE1 3.56Å; W442-W530 HydrophobicContact CE3-CB 3.76Å; W442-W530 HydrophobicContact CE3-CD2 4.43Å; W442-W530 AromaticContact CE3-CG 3.86Å; W442-W530 HydrophobicContact CE3-CG 3.86Å; W442-W530 AromaticContact CG-CD1 3.89Å; W442-W530 AromaticContact CG-CD2 3.78Å; W442-W530 HydrophobicContact CG-CD2 3.78Å; W442-W530 AromaticContact CG-CE2 3.67Å; W442-W530 HydrophobicContact CG-CE3 4.36Å; W442-W530 AromaticContact CG-CG 3.96Å; W442-W530 HydrophobicContact CG-CG 3.96Å; W442-W530 HydrophobicContact CG-CZ2 4.2Å; W442-W530 AromaticContact CG-NE1 3.72Å; W442-W530 HydrophobicContact CH2-CB 4.13Å; W442-W530 HydrophobicContact CH2-CG 4.4Å; W442-W530 HydrophobicContact CZ2-CB 4.36Å; W442-W530 AromaticContact CZ2-CD1 3.54Å; W442-W530 HydrophobicContact CZ2-CG 4.15Å; W442-W530 HydrophobicContact CZ3-CB 3.83Å; W442-W530 HydrophobicContact CZ3-CG 4.27Å; W442-W530 AromaticContact NE1-CD1 3.34Å; W442-W530 VanDerWaalsContact NE1-CD1 3.34Å; W442-W530 AromaticContact NE1-CE2 3.88Å; W442-W530 AromaticContact NE1-NE1 3.16Å; W442-W530 VanDerWaalsContact NE1-NE1 3.16Å; E456-W530 HydrophobicContact CG-CZ2 4.2Å; E456-W530 PolarHBondContact OE1-NE1 2.88Å; L459-W530 HydrophobicContact CB-CH2 3.73Å; L459-W530 HydrophobicContact CB-CZ2 3.96Å; L460-W530 HydrophobicContact CD2-CH2 4.33Å; L460-W530 HydrophobicContact CD2-CZ2 3.69Å; L460-W530 HydrophobicContact CG-CZ2 4.1Å; L463-W530 HydrophobicContact CD1-CH2 3.75Å; L463-W530 HydrophobicContact CD1-CZ3 3.57Å; W530-T532 VanDerWaalsContact C-N 3.3Å; W530-T532 PolarHBondContact NE1-OG1 3.1Å; W530-T532 VanDerWaalsContact NE1-OG1 3.08Å; W530-T532 PolarHBondContact O-N 3.12Å; W530-Y533 VanDerWaalsContact CD2-CB 3.46Å; W530-Y533 HydrophobicContact CD2-CG 4.35Å; W530-Y533 HydrophobicContact CE3-CD1 4.22Å; W530-Y533 HydrophobicContact CE3-CG 4.15Å; W530-Y533 HydrophobicContact CZ3-CD1 4.45Å; W530-Y533 HydrophobicContact CZ3-CG 4.25Å; W530-Y533 PolarHBondContact O-N 3.03Å; W530-Y534 HydrophobicContact CB-CD2 3.81Å; W530-Y534 HydrophobicContact CB-CE2 3.74Å; W530-Y534 VanDerWaalsContact O-CD2 3.3Å; W530-Y534 WeakPolarHBondContact O-CD2 3.35Å; W530-Y534 PolarHBondContact O-N 3.2Å
531	V	94.1	Very high	92.2	Very high	55 Å²	55	52 Å²	52	33%	0.333	25%	0.246	S	C	.	.	H	α-helix	trans	-55.4	-42	-174.3	173.1	0	0	0	0	112.6	L529 Y533 I535 R536 I541	L529-V531 VanDerWaalsContact C-N 3.27Å; L529-V531 PolarHBondContact O-N 2.76Å; V531-Y533 PolarHBondContact O-N 3.38Å; V531-I535 HydrophobicContact CG1-CB 4.22Å; V531-I535 HydrophobicContact CG1-CD1 4.29Å; V531-I535 HydrophobicContact CG1-CG1 4.36Å; V531-I535 HydrophobicContact CG2-CD1 4.18Å; V531-I535 CarbonylContact O-C 3.58Å; V531-I535 WeakPolarHBondContact O-CA 3.49Å; V531-I535 PolarHBondContact O-N 2.67Å; V531-R536 PolarHBondContact O-N 2.9Å; V531-I541 HydrophobicContact CG1-CG2 3.81Å
532	T	92.8	Very high	90.5	Very high	27 Å²	27	54.6 Å²	54.6	17%	0.166	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-14.9	177.4	29.8	0	0	0	0	114.5	E456 L460 W530 R536 Q545	E456-T532 WeakPolarHBondContact OE1-CB 3.41Å; E456-T532 PolarHBondContact OE1-OG1 2.7Å; E456-T532 WeakPolarHBondContact OE2-CG2 3.36Å; L460-T532 WeakPolarHBondContact CD2-O 3.45Å; W530-T532 VanDerWaalsContact C-N 3.3Å; W530-T532 PolarHBondContact NE1-OG1 3.1Å; W530-T532 VanDerWaalsContact NE1-OG1 3.08Å; W530-T532 PolarHBondContact O-N 3.12Å; T532-R536 VanDerWaalsContact O-CB 3.25Å; T532-R536 WeakPolarHBondContact O-CB 3.42Å; T532-R536 WeakPolarHBondContact O-CD 3.48Å; T532-Q545 HydrophobicContact CG2-CG 4.05Å
533	Y	96	Very high	88.6	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-105.1	-54.4	167.4	-179.4	-111.8	0	0	0	112.4	V435 L460 L463 W530 V531 R536	V435-Y533 HydrophobicContact CG1-CE1 3.66Å; L460-Y533 HydrophobicContact CD2-CD2 3.81Å; L460-Y533 HydrophobicContact CD2-CG 4.25Å; L463-Y533 HydrophobicContact CB-CD2 4.39Å; L463-Y533 HydrophobicContact CB-CE2 3.66Å; L463-Y533 HydrophobicContact CD1-CD1 4.24Å; L463-Y533 HydrophobicContact CD1-CD2 3.86Å; L463-Y533 HydrophobicContact CD1-CE1 3.99Å; L463-Y533 HydrophobicContact CD1-CE2 3.58Å; L463-Y533 HydrophobicContact CD1-CG 4.18Å; L463-Y533 HydrophobicContact CG-CE2 4.27Å; W530-Y533 VanDerWaalsContact CD2-CB 3.46Å; W530-Y533 HydrophobicContact CD2-CG 4.35Å; W530-Y533 HydrophobicContact CE3-CD1 4.22Å; W530-Y533 HydrophobicContact CE3-CG 4.15Å; W530-Y533 HydrophobicContact CZ3-CD1 4.45Å; W530-Y533 HydrophobicContact CZ3-CG 4.25Å; W530-Y533 PolarHBondContact O-N 3.03Å; V531-Y533 PolarHBondContact O-N 3.38Å; Y533-R536 WeakPolarHBondContact O-CD 3.47Å; Y533-R536 VanDerWaalsContact O-CG 3.29Å; Y533-R536 WeakPolarHBondContact O-CG 3.47Å; Y533-R536 PolarHBondContact O-NE 3.26Å
534	Y	97.1	Very high	86.7	Confident	1 Å²	1	67.5 Å²	67.5	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-77	-29.3	-169.3	-62.8	-64.3	0	0	0	114.6	M114 L318 L321 W343 D439 L529 W530	M114-Y534 HydrophobicContact CE-CD1 3.77Å; M114-Y534 HydrophobicContact CG-CD1 3.92Å; M114-Y534 HydrophobicContact SD-CD1 4.01Å; L318-Y534 HydrophobicContact CD1-CD1 4.32Å; L318-Y534 HydrophobicContact CD1-CE1 3.81Å; L321-Y534 HydrophobicContact CD2-CD1 3.82Å; L321-Y534 HydrophobicContact CD2-CD2 4.18Å; L321-Y534 HydrophobicContact CD2-CE1 3.93Å; L321-Y534 HydrophobicContact CD2-CE2 4.28Å; L321-Y534 HydrophobicContact CD2-CG 3.97Å; W343-Y534 AromaticContact CE2-CZ 3.96Å; W343-Y534 VanDerWaalsContact CE2-OH 3.32Å; W343-Y534 WeakPolarHBondContact CZ2-OH 3.44Å; W343-Y534 AromaticContact NE1-CE2 3.86Å; W343-Y534 AromaticContact NE1-CZ 3.6Å; W343-Y534 PolarHBondContact NE1-OH 3.42Å; W343-Y534 VanDerWaalsContact NE1-OH 3.15Å; D439-Y534 VanDerWaalsContact OD2-CE2 3.26Å; D439-Y534 WeakPolarHBondContact OD2-CE2 3.22Å; D439-Y534 PolarHBondContact OD2-OH 3.39Å; L529-Y534 HydrophobicContact CD1-CD2 3.56Å; L529-Y534 HydrophobicContact CD1-CE2 4.09Å; L529-Y534 HydrophobicContact CD1-CG 4.31Å; L529-Y534 HydrophobicContact CG-CD2 4.27Å; W530-Y534 HydrophobicContact CB-CD2 3.81Å; W530-Y534 HydrophobicContact CB-CE2 3.74Å; W530-Y534 VanDerWaalsContact O-CD2 3.3Å; W530-Y534 WeakPolarHBondContact O-CD2 3.35Å; W530-Y534 PolarHBondContact O-N 3.2Å
535	I	93.9	Very high	84.8	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.082	30%	0.297	C	S	.	.	S	Bend	trans	-114.9	7.3	-175.1	-34.3	-173	0	0	0	111.7	V325 V329 W334 L529 V531 W537 N538 I541	V325-I535 HydrophobicContact CB-CD1 4.47Å; V325-I535 HydrophobicContact CB-CG1 4.12Å; V325-I535 HydrophobicContact CG1-CD1 4.24Å; V325-I535 HydrophobicContact CG1-CG1 4.21Å; V329-I535 HydrophobicContact CG2-CG2 4.45Å; W334-I535 HydrophobicContact CH2-CD1 4.03Å; W334-I535 HydrophobicContact CZ2-CD1 4.48Å; L529-I535 HydrophobicContact CD2-CD1 4.03Å; V531-I535 HydrophobicContact CG1-CB 4.22Å; V531-I535 HydrophobicContact CG1-CD1 4.29Å; V531-I535 HydrophobicContact CG1-CG1 4.36Å; V531-I535 HydrophobicContact CG2-CD1 4.18Å; V531-I535 CarbonylContact O-C 3.58Å; V531-I535 WeakPolarHBondContact O-CA 3.49Å; V531-I535 PolarHBondContact O-N 2.67Å; I535-W537 PolarHBondContact O-N 2.83Å; I535-N538 HydrophobicContact CG2-CB 4.48Å; I535-N538 PolarHBondContact O-N 2.99Å; I535-N538 VanDerWaalsContact O-N 3.14Å; I535-I541 HydrophobicContact CG2-CG1 4.48Å
536	R	91.2	Very high	82.9	Confident	14 Å²	14	62.6 Å²	62.6	5%	0.053	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-1.6	-171.3	74.7	-176.7	166.2	149.3	2.4	116.8	D464 V531 T532 Y533 R542	D464-R536 VanDerWaalsContact CG-NH1 3.26Å; D464-R536 IonicContact OD1-CZ 3.03Å; D464-R536 IonicContact OD1-NH1 3.45Å; D464-R536 PolarHBondContact OD1-NH1 3.23Å; D464-R536 IonicContact OD1-NH2 3.56Å; D464-R536 PolarHBondContact OD1-NH2 3.23Å; D464-R536 IonicContact OD2-CZ 2.95Å; D464-R536 IonicContact OD2-NH1 2.91Å; D464-R536 PolarHBondContact OD2-NH1 3.47Å; V531-R536 PolarHBondContact O-N 2.9Å; T532-R536 VanDerWaalsContact O-CB 3.25Å; T532-R536 WeakPolarHBondContact O-CB 3.42Å; T532-R536 WeakPolarHBondContact O-CD 3.48Å; Y533-R536 WeakPolarHBondContact O-CD 3.47Å; Y533-R536 VanDerWaalsContact O-CG 3.29Å; Y533-R536 WeakPolarHBondContact O-CG 3.47Å; Y533-R536 PolarHBondContact O-NE 3.26Å; R536-R542 VanDerWaalsContact O-CG 3.28Å; R536-R542 WeakPolarHBondContact O-CG 3.47Å; R536-R542 PolarHBondContact O-NE 3.07Å
537	W	90.1	Very high	81.3	Confident	36 Å²	36	60.4 Å²	60.4	14%	0.136	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-15.4	178.2	-55.6	112.4	0	0	0	113.3	F53 D113 R115 Y326 I535 P539 R542	F53-W537 VanDerWaalsContact CE2-O 3.22Å; F53-W537 WeakPolarHBondContact CE2-O 3.2Å; D113-W537 HydrophobicContact CB-CZ2 4.16Å; D113-W537 PolarHBondContact O-NE1 3.03Å; D113-W537 WeakPolarHBondContact OD2-CZ2 3.36Å; R115-W537 HydrophobicContact CB-CG 4Å; R115-W537 HydrophobicContact CG-CD2 4.15Å; R115-W537 HydrophobicContact CG-CG 4.15Å; R115-W537 VanDerWaalsContact CZ-CZ3 3.42Å; R115-W537 VanDerWaalsContact NH2-CH2 3.31Å; Y326-W537 HydrophobicContact CD2-CB 4.35Å; Y326-W537 HydrophobicContact CE2-CB 3.92Å; I535-W537 PolarHBondContact O-N 2.83Å; W537-P539 WeakPolarHBondContact O-CD 3.49Å; W537-R542 VanDerWaalsContact CE3-NH2 3.34Å
538	N	85.9	Confident	79.8	Confident	32 Å²	32	64.6 Å²	64.6	17%	0.171	31%	0.31	C	S	.	.	S	Bend	trans	-70.6	119.8	172.2	-174.9	-29.4	0	0	0	109.5	F53 I535 R540 I541 R542	F53-N538 HydrophobicContact CE1-CB 3.9Å; F53-N538 HydrophobicContact CZ-CB 4.04Å; I535-N538 HydrophobicContact CG2-CB 4.48Å; I535-N538 PolarHBondContact O-N 2.99Å; I535-N538 VanDerWaalsContact O-N 3.14Å; N538-R540 PolarHBondContact O-N 3.2Å; N538-R540 WeakPolarHBondContact OD1-CB 3.43Å; N538-R540 PolarHBondContact OD1-N 2.8Å; N538-I541 HydrophobicContact CB-CB 4.42Å; N538-I541 HydrophobicContact CB-CG1 3.97Å; N538-I541 PolarHBondContact O-N 3.04Å; N538-I541 VanDerWaalsContact O-N 3.15Å; N538-R542 PolarHBondContact O-N 3.04Å; N538-R542 VanDerWaalsContact O-N 3.13Å
539	P	78.9	Confident	78.3	Confident	38 Å²	38	64.8 Å²	64.8	25%	0.247	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-35.3	-178.2	-26.2	35.1	0	0	0	113.3	F53 W537 I541 R542 H543	F53-P539 HydrophobicContact CB-CG 4.08Å; F53-P539 VanDerWaalsContact CD2-CD 3.41Å; F53-P539 HydrophobicContact CD2-CG 4.05Å; F53-P539 VanDerWaalsContact CG-CD 3.43Å; F53-P539 HydrophobicContact CG-CG 4.15Å; W537-P539 WeakPolarHBondContact O-CD 3.49Å; P539-I541 VanDerWaalsContact C-N 3.29Å; P539-I541 PolarHBondContact O-N 2.92Å; P539-R542 PolarHBondContact O-N 3.3Å; P539-R542 VanDerWaalsContact O-N 3.15Å; P539-H543 PolarHBondContact O-CD2 2.94Å; P539-H543 PolarHBondContact O-N 3.25Å
540	R	74.6	Confident	76.8	Confident	200 Å²	200	67.6 Å²	67.6	76%	0.755	33%	0.33	S	S	*	.	H	α-helix	trans	-60.7	-40.9	179.5	-62.8	-177.6	178	178.7	-0.5	111.7	N538 Q544	N538-R540 PolarHBondContact O-N 3.2Å; N538-R540 WeakPolarHBondContact OD1-CB 3.43Å; N538-R540 PolarHBondContact OD1-N 2.8Å; R540-Q544 WeakPolarHBondContact O-CG 3.19Å
541	I	71.5	Confident	75.5	Confident	41 Å²	41	71.3 Å²	71.3	21%	0.21	35%	0.348	C	S	.	.	H	α-helix	trans	-68	-45.9	175.2	-55.8	-59.3	0	0	0	109.8	V531 I535 N538 P539 H543 Q544 Q545	V531-I541 HydrophobicContact CG1-CG2 3.81Å; I535-I541 HydrophobicContact CG2-CG1 4.48Å; N538-I541 HydrophobicContact CB-CB 4.42Å; N538-I541 HydrophobicContact CB-CG1 3.97Å; N538-I541 PolarHBondContact O-N 3.04Å; N538-I541 VanDerWaalsContact O-N 3.15Å; P539-I541 VanDerWaalsContact C-N 3.29Å; P539-I541 PolarHBondContact O-N 2.92Å; I541-H543 VanDerWaalsContact C-N 3.29Å; I541-H543 PolarHBondContact O-N 2.89Å; I541-Q544 CarbonylContact O-C 3.55Å; I541-Q544 WeakPolarHBondContact O-CA 3.49Å; I541-Q544 PolarHBondContact O-N 3.36Å; I541-Q545 HydrophobicContact CG2-CG 4.29Å; I541-Q545 WeakPolarHBondContact O-CG 3.4Å; I541-Q545 PolarHBondContact O-N 3.2Å; I541-Q545 VanDerWaalsContact O-N 3.1Å
542	R	63.9	Low	74.5	Confident	121 Å²	121	75.7 Å²	75.7	46%	0.457	36%	0.358	S	S	.	.	H	α-helix	trans	-55.8	-38.7	178.3	-76.3	-170.7	168.6	-147.2	-11.6	114.2	R536 W537 N538 P539 Q544 Q545	R536-R542 VanDerWaalsContact O-CG 3.28Å; R536-R542 WeakPolarHBondContact O-CG 3.47Å; R536-R542 PolarHBondContact O-NE 3.07Å; W537-R542 VanDerWaalsContact CE3-NH2 3.34Å; N538-R542 PolarHBondContact O-N 3.04Å; N538-R542 VanDerWaalsContact O-N 3.13Å; P539-R542 PolarHBondContact O-N 3.3Å; P539-R542 VanDerWaalsContact O-N 3.15Å; R542-Q544 VanDerWaalsContact C-N 3.26Å; R542-Q544 PolarHBondContact O-N 2.69Å; R542-Q545 PolarHBondContact O-N 3.49Å
543	H	57.4	Low	73.4	Confident	166 Å²	166	78.2 Å²	78.2	77%	0.769	37%	0.365	S	S	*	.	H	α-helix	trans	-73.9	-16.5	177.5	-66.2	-61.8	0	0	0	113.5	P539 I541	P539-H543 PolarHBondContact O-CD2 2.94Å; P539-H543 PolarHBondContact O-N 3.25Å; I541-H543 VanDerWaalsContact C-N 3.29Å; I541-H543 PolarHBondContact O-N 2.89Å
544	Q	57.3	Low	72.3	Confident	151 Å²	151	82.5 Å²	82.5	71%	0.706	38%	0.384	S	S	*	.	H	α-helix	trans	-96.9	-5.4	175	-66.8	174.1	-17.7	0	0	113.3	R540 I541 R542 Q546	R540-Q544 WeakPolarHBondContact O-CG 3.19Å; I541-Q544 CarbonylContact O-C 3.55Å; I541-Q544 WeakPolarHBondContact O-CA 3.49Å; I541-Q544 PolarHBondContact O-N 3.36Å; R542-Q544 VanDerWaalsContact C-N 3.26Å; R542-Q544 PolarHBondContact O-N 2.69Å; Q544-Q546 VanDerWaalsContact C-N 3.3Å; Q544-Q546 PolarHBondContact O-N 2.92Å
545	Q	55.5	Low	71.5	Confident	71 Å²	71	87.3 Å²	87.3	33%	0.332	41%	0.407	S	S	.	.			trans	-72.8	-12.6	-170.3	-89.1	171.2	-2.8	0	0	115.7	T532 I541 R542 S547	T532-Q545 HydrophobicContact CG2-CG 4.05Å; I541-Q545 HydrophobicContact CG2-CG 4.29Å; I541-Q545 WeakPolarHBondContact O-CG 3.4Å; I541-Q545 PolarHBondContact O-N 3.2Å; I541-Q545 VanDerWaalsContact O-N 3.1Å; R542-Q545 PolarHBondContact O-N 3.49Å; Q545-S547 PolarHBondContact O-N 2.98Å
546	Q	55.4	Low	70.8	Confident	133 Å²	133	90.6 Å²	90.6	62%	0.621	42%	0.424	S	S	*	.	S	Bend	trans	-79.9	100.8	174.5	-72.5	-178.4	-17.5	0	0	109	Q544 P548 Q551	Q544-Q546 VanDerWaalsContact C-N 3.3Å; Q544-Q546 PolarHBondContact O-N 2.92Å; Q546-P548 WeakPolarHBondContact O-CD 3.45Å; Q546-P548 VanDerWaalsContact O-N 3.09Å; Q546-Q551 HydrophobicContact CB-CG 4.32Å
547	S	61	Low	70.1	Confident	43 Å²	43	92.7 Å²	92.7	30%	0.301	44%	0.436	S	S	.	.			trans	-55.2	113.7	171.7	172	0	0	0	0	109.1	Q545 V549 E550 Q551	Q545-S547 PolarHBondContact O-N 2.98Å; S547-V549 PolarHBondContact O-N 2.74Å; S547-V549 VanDerWaalsContact O-N 3.15Å; S547-E550 PolarHBondContact O-N 3.4Å; S547-E550 VanDerWaalsContact O-N 3.09Å; S547-E550 PolarHBondContact OG-N 3.49Å; S547-Q551 PolarHBondContact O-N 2.77Å
548	P	66.9	Low	69.8	Low	98 Å²	98	93.9 Å²	93.9	64%	0.636	45%	0.453	S	S	*	.	H	α-helix	trans	-61.8	-28.2	-177.2	-24.4	35.7	0	0	0	111.6	Q546 R552	Q546-P548 WeakPolarHBondContact O-CD 3.45Å; Q546-P548 VanDerWaalsContact O-N 3.09Å; P548-R552 WeakPolarHBondContact O-CB 3.45Å; P548-R552 PolarHBondContact O-N 2.75Å
549	V	65.9	Low	69.7	Low	98 Å²	98	95.6 Å²	95.6	59%	0.594	46%	0.462	S	S	*	.	H	α-helix	trans	-69.2	-45.2	176.4	-178.2	0	0	0	0	111.3	F509 S547 R552 Y553	F509-V549 HydrophobicContact CZ-CG1 4.17Å; S547-V549 PolarHBondContact O-N 2.74Å; S547-V549 VanDerWaalsContact O-N 3.15Å; V549-R552 PolarHBondContact O-N 3.29Å; V549-Y553 WeakPolarHBondContact O-CB 3.46Å; V549-Y553 PolarHBondContact O-N 3.09Å
550	E	65.6	Low	69.8	Low	77 Å²	77	101.5 Å²	101.5	36%	0.36	48%	0.479	S	S	.	.	H	α-helix	trans	-67.3	-41.7	177.1	-69.5	-176.3	169.3	0	0	112	F509 S547 Y553 K554	F509-E550 HydrophobicContact CE2-CG 4.29Å; S547-E550 PolarHBondContact O-N 3.4Å; S547-E550 VanDerWaalsContact O-N 3.09Å; S547-E550 PolarHBondContact OG-N 3.49Å; E550-Y553 PolarHBondContact O-N 2.95Å; E550-K554 WeakPolarHBondContact O-CG 3.2Å; E550-K554 PolarHBondContact O-N 2.84Å
551	Q	70.3	Confident	70.3	Confident	77 Å²	77	97.2 Å²	97.2	36%	0.36	47%	0.468	S	S	.	.	H	α-helix	trans	-60.3	-51.5	174.6	-72.9	-170.9	-56.2	0	0	110.9	Q546 S547 Y553 K554 E555	Q546-Q551 HydrophobicContact CB-CG 4.32Å; S547-Q551 PolarHBondContact O-N 2.77Å; Q551-Y553 PolarHBondContact O-N 2.87Å; Q551-K554 PolarHBondContact O-N 3.41Å; Q551-K554 VanDerWaalsContact O-N 3.08Å; Q551-E555 WeakPolarHBondContact O-CG 3.44Å; Q551-E555 PolarHBondContact O-N 2.71Å
552	R	73.9	Confident	71.3	Confident	147 Å²	147	100.9 Å²	100.9	56%	0.555	48%	0.484	S	S	*	.	H	α-helix	trans	-60.5	-36.1	-180	-173.6	53.4	171.2	178.9	0.4	112	P548 V549 E555 L556	P548-R552 WeakPolarHBondContact O-CB 3.45Å; P548-R552 PolarHBondContact O-N 2.75Å; V549-R552 PolarHBondContact O-N 3.29Å; R552-E555 WeakPolarHBondContact CD-OE2 3.35Å; R552-E555 IonicContact CZ-OE2 3.7Å; R552-E555 IonicContact NE-OE2 3.45Å; R552-E555 IonicContact NH1-OE2 2.73Å; R552-E555 PolarHBondContact NH1-OE2 3.19Å; R552-E555 WeakPolarHBondContact O-CB 3.44Å; R552-L556 HydrophobicContact CG-CD1 4.33Å; R552-L556 VanDerWaalsContact O-CG 3.23Å; R552-L556 WeakPolarHBondContact O-CG 3.49Å; R552-L556 PolarHBondContact O-N 2.73Å
553	Y	69.9	Low	72.4	Confident	81 Å²	81	101.9 Å²	101.9	32%	0.318	49%	0.489	S	S	.	.	H	α-helix	trans	-70.9	-39	175.4	-164.4	-81.3	0	0	0	112.5	P508 F509 V549 E550 Q551 E555 L556 L557	P508-Y553 HydrophobicContact CB-CD1 3.31Å; P508-Y553 HydrophobicContact CB-CE1 3.47Å; P508-Y553 VanDerWaalsContact CB-CE1 3.47Å; P508-Y553 HydrophobicContact CB-CG 4.35Å; P508-Y553 HydrophobicContact CG-CD1 4.17Å; P508-Y553 WeakPolarHBondContact O-CE1 3.49Å; F509-Y553 HydrophobicContact CD1-CD2 4.04Å; F509-Y553 AromaticContact CD1-CE2 3.94Å; F509-Y553 HydrophobicContact CD1-CE2 3.94Å; F509-Y553 HydrophobicContact CD1-CG 4.39Å; F509-Y553 HydrophobicContact CE1-CD1 4.28Å; F509-Y553 AromaticContact CE1-CD2 3.27Å; F509-Y553 HydrophobicContact CE1-CD2 3.27Å; F509-Y553 AromaticContact CE1-CE2 3.63Å; F509-Y553 HydrophobicContact CE1-CE2 3.63Å; F509-Y553 AromaticContact CE1-CG 3.6Å; F509-Y553 HydrophobicContact CE1-CG 3.6Å; F509-Y553 HydrophobicContact CZ-CD1 4.46Å; F509-Y553 AromaticContact CZ-CD2 3.89Å; F509-Y553 HydrophobicContact CZ-CD2 3.89Å; F509-Y553 AromaticContact CZ-CG 3.77Å; F509-Y553 HydrophobicContact CZ-CG 3.77Å; V549-Y553 WeakPolarHBondContact O-CB 3.46Å; V549-Y553 PolarHBondContact O-N 3.09Å; E550-Y553 PolarHBondContact O-N 2.95Å; Q551-Y553 PolarHBondContact O-N 2.87Å; Y553-E555 VanDerWaalsContact C-N 3.34Å; Y553-E555 PolarHBondContact O-N 3.49Å; Y553-L556 PolarHBondContact O-N 3.31Å; Y553-L556 VanDerWaalsContact O-N 3.17Å; Y553-L557 HydrophobicContact CD1-CD1 3.87Å; Y553-L557 HydrophobicContact CD1-CD2 4.44Å; Y553-L557 HydrophobicContact CD1-CG 3.73Å; Y553-L557 HydrophobicContact CE1-CD1 3.64Å; Y553-L557 HydrophobicContact CE1-CD2 3.72Å; Y553-L557 HydrophobicContact CE1-CG 3.48Å; Y553-L557 VanDerWaalsContact CE1-CG 3.48Å; Y553-L557 PolarHBondContact O-N 2.65Å
554	K	72.3	Confident	73.9	Confident	92 Å²	92	98 Å²	98	40%	0.4	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-39.9	173	-73.2	-178	-178.3	-173.6	0	112	E550 Q551 L557 A558	E550-K554 WeakPolarHBondContact O-CG 3.2Å; E550-K554 PolarHBondContact O-N 2.84Å; Q551-K554 PolarHBondContact O-N 3.41Å; Q551-K554 VanDerWaalsContact O-N 3.08Å; K554-L557 PolarHBondContact O-N 3.5Å; K554-A558 WeakPolarHBondContact O-CB 3.44Å; K554-A558 PolarHBondContact O-N 2.77Å
555	E	80.7	Confident	75.5	Confident	102 Å²	102	96.2 Å²	96.2	48%	0.477	46%	0.463	S	S	.	.	H	α-helix	trans	-58.6	-46.5	170.3	-68.6	170.7	-177.4	0	0	111.6	Q551 R552 Y553 A558 L559	Q551-E555 WeakPolarHBondContact O-CG 3.44Å; Q551-E555 PolarHBondContact O-N 2.71Å; R552-E555 WeakPolarHBondContact CD-OE2 3.35Å; R552-E555 IonicContact CZ-OE2 3.7Å; R552-E555 IonicContact NE-OE2 3.45Å; R552-E555 IonicContact NH1-OE2 2.73Å; R552-E555 PolarHBondContact NH1-OE2 3.19Å; R552-E555 WeakPolarHBondContact O-CB 3.44Å; Y553-E555 VanDerWaalsContact C-N 3.34Å; Y553-E555 PolarHBondContact O-N 3.49Å; E555-A558 PolarHBondContact O-N 2.87Å; E555-L559 VanDerWaalsContact O-CB 3.28Å; E555-L559 WeakPolarHBondContact O-CB 3.39Å; E555-L559 PolarHBondContact O-N 2.85Å
556	L	78.1	Confident	77.1	Confident	84 Å²	84	98.3 Å²	98.3	44%	0.44	47%	0.471	S	S	.	.	H	α-helix	trans	-66.4	-35.2	179.3	-71.7	168.9	0	0	0	112.9	R552 Y553 R560	R552-L556 HydrophobicContact CG-CD1 4.33Å; R552-L556 VanDerWaalsContact O-CG 3.23Å; R552-L556 WeakPolarHBondContact O-CG 3.49Å; R552-L556 PolarHBondContact O-N 2.73Å; Y553-L556 PolarHBondContact O-N 3.31Å; Y553-L556 VanDerWaalsContact O-N 3.17Å; L556-R560 WeakPolarHBondContact O-CB 3.3Å; L556-R560 PolarHBondContact O-N 2.88Å
557	L	77.4	Confident	78.7	Confident	58 Å²	58	96.4 Å²	96.4	30%	0.304	47%	0.465	S	S	.	.	H	α-helix	trans	-65.8	-47.8	172.2	-76.6	-177.1	0	0	0	111.7	P508 Y553 K554 L559 R560 E561	P508-L557 HydrophobicContact CB-CD1 3.88Å; Y553-L557 HydrophobicContact CD1-CD1 3.87Å; Y553-L557 HydrophobicContact CD1-CD2 4.44Å; Y553-L557 HydrophobicContact CD1-CG 3.73Å; Y553-L557 HydrophobicContact CE1-CD1 3.64Å; Y553-L557 HydrophobicContact CE1-CD2 3.72Å; Y553-L557 HydrophobicContact CE1-CG 3.48Å; Y553-L557 VanDerWaalsContact CE1-CG 3.48Å; Y553-L557 PolarHBondContact O-N 2.65Å; K554-L557 PolarHBondContact O-N 3.5Å; L557-L559 VanDerWaalsContact C-N 3.3Å; L557-L559 PolarHBondContact O-N 2.82Å; L557-R560 WeakPolarHBondContact O-CB 3.5Å; L557-R560 PolarHBondContact O-N 3.05Å; L557-R560 VanDerWaalsContact O-N 3.14Å; L557-E561 PolarHBondContact O-N 2.97Å
558	A	83.6	Confident	80.1	Confident	61 Å²	61	100.1 Å²	100.1	50%	0.504	48%	0.477	S	S	.	.	H	α-helix	trans	-59.6	-43.3	177.5	0	0	0	0	0	111.2	K554 E555 E561 E562	K554-A558 WeakPolarHBondContact O-CB 3.44Å; K554-A558 PolarHBondContact O-N 2.77Å; E555-A558 PolarHBondContact O-N 2.87Å; A558-E561 PolarHBondContact O-N 2.99Å; A558-E562 PolarHBondContact O-N 2.96Å
559	L	84.1	Confident	81.1	Confident	69 Å²	69	101.8 Å²	101.8	36%	0.361	48%	0.477	S	S	.	.	H	α-helix	trans	-64.7	-37.5	175.4	-172.8	67.3	0	0	0	112.2	E555 L557 E562 Y563	E555-L559 VanDerWaalsContact O-CB 3.28Å; E555-L559 WeakPolarHBondContact O-CB 3.39Å; E555-L559 PolarHBondContact O-N 2.85Å; L557-L559 VanDerWaalsContact C-N 3.3Å; L557-L559 PolarHBondContact O-N 2.82Å; L559-E562 PolarHBondContact O-N 3.16Å; L559-Y563 HydrophobicContact CD1-CD2 4.34Å; L559-Y563 HydrophobicContact CD1-CE2 3.76Å; L559-Y563 HydrophobicContact CD2-CE2 3.96Å; L559-Y563 HydrophobicContact CG-CD2 3.95Å; L559-Y563 HydrophobicContact CG-CE2 3.53Å; L559-Y563 WeakPolarHBondContact O-CD2 3.32Å; L559-Y563 PolarHBondContact O-N 3.46Å
560	R	81.1	Confident	82.2	Confident	162 Å²	162	101.7 Å²	101.7	61%	0.611	47%	0.472	S	S	*	.	H	α-helix	trans	-63.7	-43.7	173.4	179.3	-178.7	176.9	-117.7	-0.5	111.6	L556 L557 Y563 L564	L556-R560 WeakPolarHBondContact O-CB 3.3Å; L556-R560 PolarHBondContact O-N 2.88Å; L557-R560 WeakPolarHBondContact O-CB 3.5Å; L557-R560 PolarHBondContact O-N 3.05Å; L557-R560 VanDerWaalsContact O-N 3.14Å; R560-Y563 PolarHBondContact O-N 3.2Å; R560-L564 HydrophobicContact CG-CD1 4.14Å; R560-L564 WeakPolarHBondContact O-CG 3.48Å; R560-L564 PolarHBondContact O-N 2.73Å
561	E	84.8	Confident	83.2	Confident	109 Å²	109	103.6 Å²	103.6	51%	0.509	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-40.7	174.9	-77.2	-167.2	-164.6	0	0	112.6	L557 A558 L564 K565	L557-E561 PolarHBondContact O-N 2.97Å; A558-E561 PolarHBondContact O-N 2.99Å; E561-L564 PolarHBondContact O-N 3.25Å; E561-K565 WeakPolarHBondContact O-CG 3.41Å; E561-K565 PolarHBondContact O-N 2.74Å; E561-K565 IonicContact OE2-NZ 3.19Å; E561-K565 PolarHBondContact OE2-NZ 2.78Å
562	E	91.4	Very high	83.6	Confident	118 Å²	118	105.1 Å²	105.1	55%	0.551	49%	0.491	S	S	*	.	H	α-helix	trans	-59.3	-47.5	174.8	-169.8	-172.4	158.6	0	0	110.9	A558 L559 L564 K565 K566	A558-E562 PolarHBondContact O-N 2.96Å; L559-E562 PolarHBondContact O-N 3.16Å; E562-L564 PolarHBondContact O-N 2.94Å; E562-K565 PolarHBondContact O-N 3.15Å; E562-K566 WeakPolarHBondContact O-CB 3.43Å; E562-K566 PolarHBondContact O-N 2.78Å
563	Y	88.3	Confident	83.7	Confident	143 Å²	143	100.8 Å²	100.8	56%	0.561	48%	0.484	S	S	*	.	H	α-helix	trans	-64.4	-37.1	176.2	-74.9	-51.6	0	0	0	113.4	L559 R560 K566 L567	L559-Y563 HydrophobicContact CD1-CD2 4.34Å; L559-Y563 HydrophobicContact CD1-CE2 3.76Å; L559-Y563 HydrophobicContact CD2-CE2 3.96Å; L559-Y563 HydrophobicContact CG-CD2 3.95Å; L559-Y563 HydrophobicContact CG-CE2 3.53Å; L559-Y563 WeakPolarHBondContact O-CD2 3.32Å; L559-Y563 PolarHBondContact O-N 3.46Å; R560-Y563 PolarHBondContact O-N 3.2Å; Y563-K566 PolarHBondContact O-N 3.31Å; Y563-L567 WeakPolarHBondContact O-CB 3.43Å; Y563-L567 PolarHBondContact O-N 3.32Å
564	L	87.7	Confident	83.3	Confident	84 Å²	84	103.2 Å²	103.2	44%	0.44	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-44.7	175.7	-73.9	170.6	0	0	0	111.8	R560 E561 E562 K566 L567 E568	R560-L564 HydrophobicContact CG-CD1 4.14Å; R560-L564 WeakPolarHBondContact O-CG 3.48Å; R560-L564 PolarHBondContact O-N 2.73Å; E561-L564 PolarHBondContact O-N 3.25Å; E562-L564 PolarHBondContact O-N 2.94Å; L564-K566 VanDerWaalsContact C-N 3.28Å; L564-K566 PolarHBondContact O-N 2.87Å; L564-L567 WeakPolarHBondContact O-CB 3.31Å; L564-L567 PolarHBondContact O-N 3.38Å; L564-E568 PolarHBondContact O-N 3.43Å
565	K	90.9	Very high	82.5	Confident	113 Å²	113	103.4 Å²	103.4	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-60.3	-38.9	173.8	-72.7	165.1	-175.6	153.6	0	111.5	E561 E562 E568 Q569	E561-K565 WeakPolarHBondContact O-CG 3.41Å; E561-K565 PolarHBondContact O-N 2.74Å; E561-K565 IonicContact OE2-NZ 3.19Å; E561-K565 PolarHBondContact OE2-NZ 2.78Å; E562-K565 PolarHBondContact O-N 3.15Å; K565-E568 PolarHBondContact O-N 3.43Å; K565-Q569 WeakPolarHBondContact O-CG 3.48Å; K565-Q569 PolarHBondContact O-N 3.16Å
566	K	90.2	Very high	81.1	Confident	116 Å²	116	102.6 Å²	102.6	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-68.5	-38.2	176.5	-166	172.3	-173.2	172.8	0	112.6	E562 Y563 L564 L570	E562-K566 WeakPolarHBondContact O-CB 3.43Å; E562-K566 PolarHBondContact O-N 2.78Å; Y563-K566 PolarHBondContact O-N 3.31Å; L564-K566 VanDerWaalsContact C-N 3.28Å; L564-K566 PolarHBondContact O-N 2.87Å; K566-L570 HydrophobicContact CG-CD1 4.44Å; K566-L570 VanDerWaalsContact O-CG 3.29Å; K566-L570 WeakPolarHBondContact O-CG 3.46Å; K566-L570 PolarHBondContact O-N 3.4Å
567	L	88.4	Confident	79.5	Confident	92 Å²	92	103.6 Å²	103.6	48%	0.482	54%	0.535	S	S	.	.	H	α-helix	trans	-61.7	-46.8	173.6	-171.4	83	0	0	0	111.1	Y563 L564 L570 Q571	Y563-L567 WeakPolarHBondContact O-CB 3.43Å; Y563-L567 PolarHBondContact O-N 3.32Å; L564-L567 WeakPolarHBondContact O-CB 3.31Å; L564-L567 PolarHBondContact O-N 3.38Å; L567-L570 PolarHBondContact O-N 3.09Å; L567-Q571 WeakPolarHBondContact O-CG 3.26Å; L567-Q571 PolarHBondContact O-N 3.04Å
568	E	90.3	Very high	78.2	Confident	121 Å²	121	105.5 Å²	105.5	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-62.2	-43.5	178.9	-172.9	174.7	-151	0	0	111.7	L564 K565 L570 Q571 L572	L564-E568 PolarHBondContact O-N 3.43Å; K565-E568 PolarHBondContact O-N 3.43Å; E568-L570 PolarHBondContact O-N 3.32Å; E568-Q571 PolarHBondContact O-N 3.16Å; E568-L572 HydrophobicContact CG-CD1 4.25Å; E568-L572 WeakPolarHBondContact O-CB 3.28Å; E568-L572 VanDerWaalsContact O-CG 3.31Å; E568-L572 WeakPolarHBondContact O-CG 3.25Å; E568-L572 PolarHBondContact O-N 3.34Å
569	Q	89.3	Confident	76.2	Confident	133 Å²	133	113 Å²	113	62%	0.621	57%	0.567	S	S	*	*	H	α-helix	trans	-60.2	-42	173.3	-74.1	174.1	8.8	0	0	112.8	K565 L572 S573	K565-Q569 WeakPolarHBondContact O-CG 3.48Å; K565-Q569 PolarHBondContact O-N 3.16Å; Q569-L572 PolarHBondContact O-N 2.96Å; Q569-S573 PolarHBondContact O-N 3.24Å; Q569-S573 PolarHBondContact O-OG 3.46Å
570	L	88.6	Confident	73.9	Confident	96 Å²	96	118.9 Å²	118.9	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-66	-43.8	177.9	-73.1	167.4	0	0	0	111.6	K566 L567 E568 L572 S573 D574	K566-L570 HydrophobicContact CG-CD1 4.44Å; K566-L570 VanDerWaalsContact O-CG 3.29Å; K566-L570 WeakPolarHBondContact O-CG 3.46Å; K566-L570 PolarHBondContact O-N 3.4Å; L567-L570 PolarHBondContact O-N 3.09Å; E568-L570 PolarHBondContact O-N 3.32Å; L570-L572 VanDerWaalsContact C-N 3.33Å; L570-L572 PolarHBondContact O-N 3.05Å; L570-S573 WeakPolarHBondContact CA-OG 3.31Å; L570-S573 PolarHBondContact O-N 3.32Å; L570-S573 VanDerWaalsContact O-N 3.12Å; L570-S573 PolarHBondContact O-OG 3.36Å; L570-D574 PolarHBondContact O-N 3Å
571	Q	85.7	Confident	72.2	Confident	117 Å²	117	119.2 Å²	119.2	55%	0.547	61%	0.606	S	S	.	*	H	α-helix	trans	-62.1	-39.2	175.5	-72.3	174.6	-14	0	0	112.3	L567 E568 S575	L567-Q571 WeakPolarHBondContact O-CG 3.26Å; L567-Q571 PolarHBondContact O-N 3.04Å; E568-Q571 PolarHBondContact O-N 3.16Å; Q571-S575 WeakPolarHBondContact O-CB 3.36Å; Q571-S575 PolarHBondContact O-N 2.98Å; Q571-S575 PolarHBondContact O-OG 3.45Å
572	L	79.8	Confident	69.7	Low	110 Å²	110	118.8 Å²	118.8	58%	0.576	62%	0.621	S	S	*	*	H	α-helix	trans	-64.4	-39.2	172.8	-73.9	165	0	0	0	111.7	E568 Q569 L570 S575 S576	E568-L572 HydrophobicContact CG-CD1 4.25Å; E568-L572 WeakPolarHBondContact O-CB 3.28Å; E568-L572 VanDerWaalsContact O-CG 3.31Å; E568-L572 WeakPolarHBondContact O-CG 3.25Å; E568-L572 PolarHBondContact O-N 3.34Å; Q569-L572 PolarHBondContact O-N 2.96Å; L570-L572 VanDerWaalsContact C-N 3.33Å; L570-L572 PolarHBondContact O-N 3.05Å; L572-S575 PolarHBondContact O-OG 2.86Å; L572-S576 PolarHBondContact O-N 2.99Å
573	S	74.3	Confident	67.1	Low	56 Å²	56	120.7 Å²	120.7	39%	0.392	64%	0.635	S	S	.	*	H	α-helix	trans	-68.2	-41.8	175.6	61.6	0	0	0	0	113.6	Q569 L570 S575 S576	Q569-S573 PolarHBondContact O-N 3.24Å; Q569-S573 PolarHBondContact O-OG 3.46Å; L570-S573 WeakPolarHBondContact CA-OG 3.31Å; L570-S573 PolarHBondContact O-N 3.32Å; L570-S573 VanDerWaalsContact O-N 3.12Å; L570-S573 PolarHBondContact O-OG 3.36Å; S573-S575 VanDerWaalsContact C-N 3.33Å; S573-S575 PolarHBondContact O-N 3.1Å; S573-S576 PolarHBondContact O-N 3.45Å; S573-S576 VanDerWaalsContact O-N 3.09Å; S573-S576 PolarHBondContact O-OG 3.47Å
574	D	61.9	Low	64.4	Low	132 Å²	132	118.8 Å²	118.8	71%	0.706	64%	0.642	S	S	*	*	H	α-helix	trans	-64.5	-37.6	176.9	-83.6	-18.6	0	0	0	111.8	L570 S576	L570-D574 PolarHBondContact O-N 3Å; D574-S576 PolarHBondContact O-N 2.82Å; D574-S576 VanDerWaalsContact O-N 3.16Å
575	S	56.3	Low	61.6	Low	95 Å²	95	120.8 Å²	120.8	66%	0.664	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-4.9	175.4	67.7	0	0	0	0	114.7	Q571 L572 S573	Q571-S575 WeakPolarHBondContact O-CB 3.36Å; Q571-S575 PolarHBondContact O-N 2.98Å; Q571-S575 PolarHBondContact O-OG 3.45Å; L572-S575 PolarHBondContact O-OG 2.86Å; S573-S575 VanDerWaalsContact C-N 3.33Å; S573-S575 PolarHBondContact O-N 3.1Å
576	S	51.5	Low	58.8	Low	86 Å²	86	121.4 Å²	121.4	60%	0.601	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	3.7	-178.2	74.8	0	0	0	0	115.4	L572 S573 D574 P578	L572-S576 PolarHBondContact O-N 2.99Å; S573-S576 PolarHBondContact O-N 3.45Å; S573-S576 VanDerWaalsContact O-N 3.09Å; S573-S576 PolarHBondContact O-OG 3.47Å; D574-S576 PolarHBondContact O-N 2.82Å; D574-S576 VanDerWaalsContact O-N 3.16Å; S576-P578 WeakPolarHBondContact O-CD 3.3Å
577	S	44	Very low	56.8	Low	105 Å²	105	120.5 Å²	120.5	73%	0.734	68%	0.678	S	S	*	*			trans	-102.6	104	177.7	-78.9	0	0	0	0	114
578	P	50.5	Low	54.1	Low	97 Å²	97	123.3 Å²	123.3	63%	0.63	69%	0.693	S	S	*	*			trans	-95.4	139.9	165.3	35.8	-32.6	0	0	0	112.5	S576	S576-P578 WeakPolarHBondContact O-CD 3.3Å
579	Y	41.8	Very low	51.3	Low	219 Å²	219	123.1 Å²	123.1	86%	0.859	70%	0.7	S	S	*	*			trans	72.5	129.1	175.6	-50.5	-80.5	0	0	0	115.7
580	Q	35.2	Very low	48.5	Very low	192 Å²	192	123 Å²	123	90%	0.897	71%	0.709	S	S	*	*				-147.2	144.7	52.3	-72.6	178.5	-15.1	0	0	114.6
581	L	44.6	Very low	45.7	Very low	169 Å²	169	123.1 Å²	123.1	89%	0.885	72%	0.718	S	S	*	*			trans	-88.9	140.8	159.1	-90.1	84.6	0	0	0	110.4
582	A	33.9	Very low	43.1	Very low	100 Å²	100	122.1 Å²	122.1	83%	0.826	72%	0.724	S	S	*	*			trans	-156.2	132.8	151	0	0	0	0	0	112.4
583	N	35	Very low	40.8	Very low	158 Å²	158	123.3 Å²	123.3	85%	0.845	74%	0.736	S	S	*	*			trans	-62.9	166.9	175.9	-48.6	-47.7	0	0	0	112
584	S	31.7	Very low	39	Very low	103 Å²	103	125.6 Å²	125.6	72%	0.72	76%	0.758	S	S	*	*			cis	-152.3	-169.8	16.1	61.1	0	0	0	0	109.7
585	T	30.6	Very low	37.5	Very low	126 Å²	126	124.9 Å²	124.9	77%	0.773	76%	0.763	S	S	*	*			cis	-154.6	170	14.7	-22.8	0	0	0	0	111.3
586	T	31.8	Very low	36.6	Very low	127 Å²	127	127 Å²	127	78%	0.779	77%	0.773	S	S	*	*			trans	-107.3	177	172.1	44.1	0	0	0	0	110
587	P	47.8	Very low	36	Very low	97 Å²	97	127.8 Å²	127.8	63%	0.63	78%	0.776	S	S	*	*			cis	-153.9	174.8	27.1	46	-24.8	0	0	0	121.7
588	N	31.9	Very low	35.3	Very low	150 Å²	150	127.4 Å²	127.4	80%	0.802	77%	0.773	S	S	*	*			trans	70.3	148.1	154.9	-60.1	-19.7	0	0	0	118.1
589	T	30.4	Very low	34.6	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	79%	0.787	S	S	*	*			cis	-147.3	151.4	23.1	44.8	0	0	0	0	113.8
590	T	31.1	Very low	34	Very low	130 Å²	130	129.8 Å²	129.8	80%	0.798	78%	0.783	S	S	*	*			trans	40.5	140.5	144.1	58.7	0	0	0	0	121.9
591	S	30.7	Very low	33.8	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	78%	0.784	S	S	*	*			cis	-168.9	167.4	5	48.5	0	0	0	0	112.6
592	S	31.1	Very low	33.2	Very low	95 Å²	95	129.6 Å²	129.6	66%	0.664	78%	0.779	S	S	*	*			trans	66.2	106.9	149.7	57.9	0	0	0	0	122.5
593	T	31.2	Very low	33	Very low	135 Å²	135	133.6 Å²	133.6	83%	0.828	78%	0.78	S	S	*	*			trans	61.8	96.6	130	57.6	0	0	0	0	122.1
594	A	36.1	Very low	32.8	Very low	105 Å²	105	133.9 Å²	133.9	87%	0.868	78%	0.781	S	S	*	*				30.5	110.7	127.6	0	0	0	0	0	121.1
595	S	29.8	Very low	32.7	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	79%	0.788	S	S	*	*			trans	-153.9	127.1	138	56.8	0	0	0	0	110.9
596	T	38.5	Very low	32.8	Very low	141 Å²	141	137.9 Å²	137.9	87%	0.865	79%	0.788	S	S	*	*			trans	-73.7	140.8	166.3	-25.8	0	0	0	0	108.5
597	P	38.4	Very low	33.2	Very low	102 Å²	102	137.5 Å²	137.5	66%	0.662	79%	0.788	S	S	*	*				-150.5	159.9	118	37.3	-21.3	0	0	0	116.6
598	S	28.6	Very low	32.7	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	82%	0.818	S	S	*	*			trans	51.4	108	146.3	60.2	0	0	0	0	120.1	Q600	S598-Q600 PolarHBondContact O-N 3.21Å
599	Q	35.6	Very low	32.8	Very low	197 Å²	197	146.4 Å²	146.4	92%	0.921	82%	0.819	S	S	*	*			trans	-69.1	121.4	150.7	-76.9	-178.8	-23.2	0	0	109.5
600	Q	29.2	Very low	32.9	Very low	169 Å²	169	147.9 Å²	147.9	79%	0.79	82%	0.824	S	S	*	*			trans	-77.1	130.5	173.2	-68.2	174	-48.7	0	0	110	S598 T602	S598-Q600 PolarHBondContact O-N 3.21Å; Q600-T602 PolarHBondContact O-N 3.34Å
601	Y	32.1	Very low	33	Very low	229 Å²	229	148.9 Å²	148.9	90%	0.898	83%	0.826	S	S	*	*			trans	-73	108.6	160.7	-82.6	-92.5	0	0	0	108.8	H603	Y601-H603 PolarHBondContact O-N 3.36Å
602	T	31.1	Very low	33.1	Very low	128 Å²	128	151.8 Å²	151.8	79%	0.785	83%	0.833	S	S	*	*			trans	-74.4	107	169.8	28.3	0	0	0	0	110	Q600 L604	Q600-T602 PolarHBondContact O-N 3.34Å; T602-L604 PolarHBondContact O-N 3.12Å; T602-L604 VanDerWaalsContact O-N 3.14Å
603	H	30.7	Very low	33.3	Very low	184 Å²	184	155.4 Å²	155.4	85%	0.852	84%	0.844	S	S	*	*			trans	-61.2	112.1	167.2	-97.5	-86.9	0	0	0	110.1	Y601 Q605	Y601-H603 PolarHBondContact O-N 3.36Å; H603-Q605 PolarHBondContact O-N 2.99Å
604	L	29.9	Very low	33.4	Very low	165 Å²	165	156.7 Å²	156.7	86%	0.864	85%	0.845	S	S	*	*			trans	-76.7	102.3	163.6	-87.3	159.2	0	0	0	108.8	T602 T606	T602-L604 PolarHBondContact O-N 3.12Å; T602-L604 VanDerWaalsContact O-N 3.14Å; L604-T606 PolarHBondContact O-N 3.06Å
605	Q	30.6	Very low	33.2	Very low	185 Å²	185	160.4 Å²	160.4	86%	0.864	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-75	116.3	164	-75.4	-177.8	-44.5	0	0	109.2	H603	H603-Q605 PolarHBondContact O-N 2.99Å
606	T	30.9	Very low	33.4	Very low	128 Å²	128	163.8 Å²	163.8	79%	0.785	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-88.8	125.5	162.8	47.4	0	0	0	0	109.3	L604	L604-T606 PolarHBondContact O-N 3.06Å
607	P	40.3	Very low	33	Very low	119 Å²	119	165.8 Å²	165.8	77%	0.773	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-72.3	133.8	168.2	30.8	-31.9	0	0	0	109.8
608	F	38.8	Very low	32.5	Very low	287 Å²	287	171.5 Å²	171.5	100%	1.259	86%	0.86	S	S	*	*			trans	4	0	173	-65.3	-79.7	0	0	0	119

Retrieved 608 of 608 residues in 377.6 ms (Link to these results)

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