A0A087XDZ0_POEFO Loading...

Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087XDZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 465 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	29	Very low	25.5	Very low	245 Å²	245	138.7 Å²	138.7	100%	1.207	84%	0.839	S	S	*	*				0	126	0	-75.3	-173.7	-135.5	0	0	107.3
2	A	29.6	Very low	25.4	Very low	108 Å²	108	140.3 Å²	140.3	89%	0.893	83%	0.826	S	S	*	*			trans	56	82.6	178.3	0	0	0	0	0	116.8
3	A	22.8	Very low	25.4	Very low	98 Å²	98	141.7 Å²	141.7	81%	0.81	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-96.5	123.1	159.4	0	0	0	0	0	108.2
4	T	26.6	Very low	25.5	Very low	146 Å²	146	142.7 Å²	142.7	90%	0.896	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-93.1	124.3	171.7	36.6	0	0	0	0	109.4
5	V	25.6	Very low	25.2	Very low	133 Å²	133	145.5 Å²	145.5	81%	0.806	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-92.8	136.6	-168.1	169.9	0	0	0	0	110.6
6	E	25.4	Very low	25.4	Very low	177 Å²	177	146.3 Å²	146.3	83%	0.827	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-66.9	149.1	166.6	-61.3	168.1	134.4	0	0	112.4
7	T	24.3	Very low	25.4	Very low	135 Å²	135	143.5 Å²	143.5	83%	0.828	81%	0.807	S	S	*	*			trans	-174.9	114.8	141.2	31.2	0	0	0	0	107.7
8	S	22.3	Very low	25.7	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	82%	0.815	S	S	*	*				73.6	111.5	58.1	170	0	0	0	0	113.8
9	C	22.6	Very low	25.7	Very low	120 Å²	120	144.1 Å²	144.1	81%	0.811	81%	0.807	S	S	*	*			trans	55.5	156.9	146.3	-77.9	0	0	0	0	120.1
10	S	23.9	Very low	26.3	Very low	89 Å²	89	142.6 Å²	142.6	62%	0.622	81%	0.807	S	S	*	*			cis	-171.7	155.4	-7	40.1	0	0	0	0	106.5
11	E	28.7	Very low	26.6	Very low	171 Å²	171	139.4 Å²	139.4	80%	0.799	79%	0.79	S	S	*	*			trans	14.3	125.3	153	-57.3	-178.5	144.8	0	0	119.3
12	F	24.3	Very low	26.9	Very low	157 Å²	157	133.5 Å²	133.5	69%	0.689	77%	0.772	S	S	*	*			trans	-150.1	136.6	135.1	-87.8	-64.9	0	0	0	113.2	H76	F12-H76 AromaticContact CE2-CD2 3.95Å
13	L	24.7	Very low	27.3	Very low	159 Å²	159	134.3 Å²	134.3	83%	0.832	76%	0.761	S	S	*	*			trans	-58.3	155.2	-172	-76.7	127.2	0	0	0	116.4	W15	L13-W15 PolarHBondContact O-N 3.04Å
14	N	26.6	Very low	28.3	Very low	156 Å²	156	133.1 Å²	133.1	83%	0.834	74%	0.739	S	S	*	*			trans	-47.4	126.5	157.1	-73.3	-27.3	0	0	0	110.9
15	W	22	Very low	29.1	Very low	185 Å²	185	131 Å²	131	70%	0.701	72%	0.721	S	S	*	*			trans	-127.8	103.2	158.1	-144.7	-41.2	0	0	0	107.8	L13 V17	L13-W15 PolarHBondContact O-N 3.04Å; W15-V17 HydrophobicContact CG-CG2 4.25Å; W15-V17 PolarHBondContact O-N 2.96Å
16	D	27.6	Very low	30	Very low	158 Å²	158	132 Å²	132	85%	0.845	72%	0.715	S	S	*	*			trans	-67.7	112.1	162.6	-75.8	-42.6	0	0	0	107.5
17	V	25.2	Very low	31.1	Very low	99 Å²	99	128.8 Å²	128.8	60%	0.6	70%	0.7	S	S	*	*			trans	-116.8	97.1	165.6	178.8	0	0	0	0	106.8	W15 S19	W15-V17 HydrophobicContact CG-CG2 4.25Å; W15-V17 PolarHBondContact O-N 2.96Å; V17-S19 PolarHBondContact O-N 3.11Å
18	E	32	Very low	32.3	Very low	200 Å²	200	125.4 Å²	125.4	94%	0.935	68%	0.675	S	S	*	*			trans	-64.4	112	161.1	-75.6	-174	148.7	0	0	108.7
19	S	25.8	Very low	33.6	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	67%	0.672	S	S	*	*			trans	-158	95.2	161.9	-167.4	0	0	0	0	111.3	V17	V17-S19 PolarHBondContact O-N 3.11Å
20	S	37.3	Very low	35	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	67%	0.672	S	S	*	*			trans	32.5	91.8	146	177.2	0	0	0	0	118.7
21	V	33.3	Very low	36.7	Very low	76 Å²	76	127.9 Å²	127.9	46%	0.461	65%	0.652	S	S	.	*			trans	-139.8	103.1	147.1	-173.6	0	0	0	0	110.1	N23 E24	V21-N23 PolarHBondContact O-N 2.94Å; V21-E24 HydrophobicContact CB-CG 4.1Å; V21-E24 HydrophobicContact CG1-CG 4.38Å; V21-E24 PolarHBondContact O-N 3.12Å
22	C	34.5	Very low	38.5	Very low	122 Å²	122	122.3 Å²	122.3	82%	0.824	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	2.1	-176.5	-109.2	0	0	0	0	116.7
23	N	38.4	Very low	40.2	Very low	125 Å²	125	117.8 Å²	117.8	67%	0.668	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-18.1	177.6	-86.4	-14.5	0	0	0	114.3	V21 L25 K26	V21-N23 PolarHBondContact O-N 2.94Å; N23-L25 VanDerWaalsContact C-N 3.3Å; N23-L25 PolarHBondContact O-N 3.35Å; N23-K26 PolarHBondContact O-N 2.78Å
24	E	43.4	Very low	41.8	Very low	72 Å²	72	113.3 Å²	113.3	34%	0.336	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66	-30.1	-177	-69.5	-176.3	149.8	0	0	112.9	V21 K26 R43 N88	V21-E24 HydrophobicContact CB-CG 4.1Å; V21-E24 HydrophobicContact CG1-CG 4.38Å; V21-E24 PolarHBondContact O-N 3.12Å; E24-K26 VanDerWaalsContact C-N 3.33Å; E24-K26 PolarHBondContact O-N 3.29Å; E24-R43 IonicContact OE1-NH2 2.89Å; E24-N88 PolarHBondContact OE1-ND2 3.32Å
25	L	44.1	Very low	43.9	Very low	101 Å²	101	109.2 Å²	109.2	53%	0.529	58%	0.582	S	S	.	*	H	α-helix	trans	-76.6	-10.3	-175.1	-82	152.5	0	0	0	114.7	N23 K29	N23-L25 VanDerWaalsContact C-N 3.3Å; N23-L25 PolarHBondContact O-N 3.35Å; L25-K29 HydrophobicContact CD2-CD 4.34Å; L25-K29 VanDerWaalsContact CD2-CE 3.49Å; L25-K29 VanDerWaalsContact O-CB 3.24Å; L25-K29 WeakPolarHBondContact O-CB 3.32Å; L25-K29 VanDerWaalsContact O-CD 3.28Å; L25-K29 WeakPolarHBondContact O-CD 3.26Å; L25-K29 WeakPolarHBondContact O-CG 3.32Å
26	K	44.3	Very low	46.2	Very low	154 Å²	154	106.5 Å²	106.5	67%	0.67	57%	0.571	S	S	*	*	H	α-helix	trans	-86.1	-33.3	-173	-80.1	-177.4	178	175.2	0	114	N23 E24	N23-K26 PolarHBondContact O-N 2.78Å; E24-K26 VanDerWaalsContact C-N 3.33Å; E24-K26 PolarHBondContact O-N 3.29Å
27	Q	48.3	Very low	48.3	Very low	111 Å²	111	108.2 Å²	108.2	52%	0.519	57%	0.566	S	S	.	*	H	α-helix	trans	-87.8	-44	-179.4	-118.3	171.3	-12.2	0	0	112.1	K29 Q30	Q27-K29 VanDerWaalsContact C-N 3.28Å; Q27-K29 PolarHBondContact O-N 3.05Å; Q27-Q30 PolarHBondContact O-N 2.88Å
28	E	49.3	Very low	50.4	Low	64 Å²	64	107.5 Å²	107.5	30%	0.299	56%	0.555	S	S	.	*	H	α-helix	trans	-64.4	-29.8	177.3	-81.6	-173.8	166.2	0	0	113	Q30 L31 R36 Y39 R43	E28-Q30 VanDerWaalsContact C-N 3.29Å; E28-Q30 PolarHBondContact O-N 2.93Å; E28-L31 PolarHBondContact O-N 2.69Å; E28-R36 VanDerWaalsContact O-CD 3.3Å; E28-R36 WeakPolarHBondContact O-CD 3.48Å; E28-R36 WeakPolarHBondContact O-CG 3.45Å; E28-Y39 HydrophobicContact CG-CD1 4Å; E28-Y39 HydrophobicContact CG-CE1 4.03Å; E28-R43 IonicContact OE1-NH1 2.81Å
29	K	50.3	Low	52.5	Low	153 Å²	153	99 Å²	99	67%	0.665	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.3	177.3	-80.3	-176.2	175.6	171.1	0	114.3	L25 Q27	L25-K29 HydrophobicContact CD2-CD 4.34Å; L25-K29 VanDerWaalsContact CD2-CE 3.49Å; L25-K29 VanDerWaalsContact O-CB 3.24Å; L25-K29 WeakPolarHBondContact O-CB 3.32Å; L25-K29 VanDerWaalsContact O-CD 3.28Å; L25-K29 WeakPolarHBondContact O-CD 3.26Å; L25-K29 WeakPolarHBondContact O-CG 3.32Å; Q27-K29 VanDerWaalsContact C-N 3.28Å; Q27-K29 PolarHBondContact O-N 3.05Å
30	Q	50.8	Low	54.6	Low	172 Å²	172	96.6 Å²	96.6	80%	0.804	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.4	177.5	-69.9	-167	-4.2	0	0	113.3	Q27 E28	Q27-Q30 PolarHBondContact O-N 2.88Å; E28-Q30 VanDerWaalsContact C-N 3.29Å; E28-Q30 PolarHBondContact O-N 2.93Å
31	L	60.3	Low	56.4	Low	40 Å²	40	96.2 Å²	96.2	21%	0.209	48%	0.482	C	S	.	.	S	Bend	trans	-92.1	143.9	-178.2	-65.3	175.2	0	0	0	112.5	E28 Q35 R36 Y39	E28-L31 PolarHBondContact O-N 2.69Å; L31-Q35 HydrophobicContact CB-CB 3.9Å; L31-Q35 HydrophobicContact CD2-CB 4.21Å; L31-Q35 HydrophobicContact CG-CB 4.48Å; L31-R36 HydrophobicContact CB-CG 3.84Å; L31-R36 PolarHBondContact O-NE 2.83Å; L31-R36 VanDerWaalsContact O-NE 3.15Å; L31-Y39 HydrophobicContact CD1-CD2 4.29Å; L31-Y39 HydrophobicContact CD1-CG 4.22Å
32	S	66.4	Low	58.6	Low	54 Å²	54	92.9 Å²	92.9	38%	0.378	46%	0.461	S	S	.	.			trans	-61	162.7	173.3	80.2	0	0	0	0	111.6	S34 Q35 R36	S32-S34 PolarHBondContact O-N 2.85Å; S32-S34 PolarHBondContact OG-OG 2.89Å; S32-S34 VanDerWaalsContact OG-OG 3.07Å; S32-Q35 PolarHBondContact O-N 3.21Å; S32-Q35 WeakPolarHBondContact OG-CG 3.35Å; S32-Q35 PolarHBondContact OG-N 2.79Å; S32-Q35 PolarHBondContact OG-OE1 2.89Å; S32-R36 PolarHBondContact O-N 3.12Å
33	A	58.7	Low	60.9	Low	62 Å²	62	91.6 Å²	91.6	51%	0.512	44%	0.439	S	S	.	.	H	α-helix	trans	-61.4	-30.2	-176.9	0	0	0	0	0	113.4
34	S	58.9	Low	62.7	Low	65 Å²	65	93.3 Å²	93.3	46%	0.455	44%	0.436	S	S	.	.	H	α-helix	trans	-74.6	-44.6	173.9	52.9	0	0	0	0	111.5	S32 R36 R37 F38	S32-S34 PolarHBondContact O-N 2.85Å; S32-S34 PolarHBondContact OG-OG 2.89Å; S32-S34 VanDerWaalsContact OG-OG 3.07Å; S34-R36 VanDerWaalsContact C-N 3.33Å; S34-R36 PolarHBondContact O-N 3.21Å; S34-R37 WeakPolarHBondContact O-CB 3.33Å; S34-R37 PolarHBondContact O-N 2.97Å; S34-R37 VanDerWaalsContact O-N 3.07Å; S34-F38 WeakPolarHBondContact O-CD2 3.3Å; S34-F38 PolarHBondContact O-N 3.11Å
35	Q	70.5	Confident	64.4	Low	70 Å²	70	96.1 Å²	96.1	33%	0.327	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-38.9	178	-74.3	171.6	-29	0	0	112.4	L31 S32 R37 F38 Y39 Y99	L31-Q35 HydrophobicContact CB-CB 3.9Å; L31-Q35 HydrophobicContact CD2-CB 4.21Å; L31-Q35 HydrophobicContact CG-CB 4.48Å; S32-Q35 PolarHBondContact O-N 3.21Å; S32-Q35 WeakPolarHBondContact OG-CG 3.35Å; S32-Q35 PolarHBondContact OG-N 2.79Å; S32-Q35 PolarHBondContact OG-OE1 2.89Å; Q35-R37 VanDerWaalsContact C-N 3.28Å; Q35-R37 PolarHBondContact O-N 3.17Å; Q35-F38 PolarHBondContact O-N 3.15Å; Q35-Y39 WeakPolarHBondContact O-CB 3.45Å; Q35-Y39 PolarHBondContact O-N 2.68Å; Q35-Y99 WeakPolarHBondContact CB-OH 3.37Å
36	R	71.6	Confident	66.3	Low	127 Å²	127	91.8 Å²	91.8	48%	0.479	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-35	173.7	-77.7	-173.1	-92	159.3	-3.7	113.2	E28 L31 S32 S34 S40	E28-R36 VanDerWaalsContact O-CD 3.3Å; E28-R36 WeakPolarHBondContact O-CD 3.48Å; E28-R36 WeakPolarHBondContact O-CG 3.45Å; L31-R36 HydrophobicContact CB-CG 3.84Å; L31-R36 PolarHBondContact O-NE 2.83Å; L31-R36 VanDerWaalsContact O-NE 3.15Å; S32-R36 PolarHBondContact O-N 3.12Å; S34-R36 VanDerWaalsContact C-N 3.33Å; S34-R36 PolarHBondContact O-N 3.21Å; R36-S40 VanDerWaalsContact O-CB 3.29Å; R36-S40 WeakPolarHBondContact O-CB 3.49Å; R36-S40 PolarHBondContact O-N 3.2Å
37	R	70.1	Confident	68.3	Low	194 Å²	194	86.8 Å²	86.8	73%	0.732	40%	0.404	S	S	*	.	H	α-helix	trans	-68.7	-44.2	176.8	-67.2	176.8	-174.4	176.8	2.6	111.3	S34 Q35 S40 F41	S34-R37 WeakPolarHBondContact O-CB 3.33Å; S34-R37 PolarHBondContact O-N 2.97Å; S34-R37 VanDerWaalsContact O-N 3.07Å; Q35-R37 VanDerWaalsContact C-N 3.28Å; Q35-R37 PolarHBondContact O-N 3.17Å; R37-S40 PolarHBondContact O-N 3.35Å; R37-F41 WeakPolarHBondContact O-CB 3.21Å; R37-F41 PolarHBondContact O-N 3.31Å
38	F	68.9	Low	69.7	Low	84 Å²	84	84.2 Å²	84.2	37%	0.368	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-41.2	176.9	-68.5	-61.5	0	0	0	112.2	S34 Q35 F41 C42 Y99 L102 L106	S34-F38 WeakPolarHBondContact O-CD2 3.3Å; S34-F38 PolarHBondContact O-N 3.11Å; Q35-F38 PolarHBondContact O-N 3.15Å; F38-F41 WeakPolarHBondContact O-CB 3.32Å; F38-F41 PolarHBondContact O-N 2.84Å; F38-C42 PolarHBondContact O-N 2.81Å; F38-C42 PolarHBondContact O-SG 2.65Å; F38-Y99 HydrophobicContact CB-CD2 4.35Å; F38-Y99 HydrophobicContact CB-CE2 3.86Å; F38-L102 HydrophobicContact CB-CD2 4.1Å; F38-L102 HydrophobicContact CD1-CD2 4Å; F38-L102 HydrophobicContact CG-CD2 4.39Å; F38-L106 HydrophobicContact CE1-CD1 4.46Å; F38-L106 HydrophobicContact CZ-CD1 4.43Å
39	Y	76.6	Confident	71.3	Confident	22 Å²	22	85.3 Å²	85.3	9%	0.086	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-46.9	175.7	-167.4	-94.7	0	0	0	111.7	E28 L31 Q35 F41 C42 R43 T95 E96 Y99	E28-Y39 HydrophobicContact CG-CD1 4Å; E28-Y39 HydrophobicContact CG-CE1 4.03Å; L31-Y39 HydrophobicContact CD1-CD2 4.29Å; L31-Y39 HydrophobicContact CD1-CG 4.22Å; Q35-Y39 WeakPolarHBondContact O-CB 3.45Å; Q35-Y39 PolarHBondContact O-N 2.68Å; Y39-F41 VanDerWaalsContact C-N 3.28Å; Y39-F41 PolarHBondContact O-N 3.22Å; Y39-C42 PolarHBondContact O-N 2.79Å; Y39-R43 WeakPolarHBondContact O-CB 3.4Å; Y39-R43 PolarHBondContact O-N 2.86Å; Y39-T95 HydrophobicContact CD2-CG2 4.5Å; Y39-T95 HydrophobicContact CE1-CG2 4.12Å; Y39-T95 HydrophobicContact CE2-CG2 4.04Å; Y39-E96 HydrophobicContact CE2-CG 4.46Å; Y39-Y99 AromaticContact CD2-CD1 3.78Å; Y39-Y99 HydrophobicContact CD2-CD1 3.78Å; Y39-Y99 HydrophobicContact CD2-CD2 4.06Å; Y39-Y99 HydrophobicContact CD2-CE1 4.16Å; Y39-Y99 HydrophobicContact CD2-CE2 4.43Å; Y39-Y99 AromaticContact CD2-CG 3.72Å; Y39-Y99 HydrophobicContact CD2-CG 3.72Å; Y39-Y99 HydrophobicContact CE2-CD1 4.32Å; Y39-Y99 HydrophobicContact CE2-CG 4.42Å
40	S	70.4	Confident	73	Confident	47 Å²	47	79.2 Å²	79.2	33%	0.329	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-34.8	175.1	175.7	0	0	0	0	113	R36 R37 R44	R36-S40 VanDerWaalsContact O-CB 3.29Å; R36-S40 WeakPolarHBondContact O-CB 3.49Å; R36-S40 PolarHBondContact O-N 3.2Å; R37-S40 PolarHBondContact O-N 3.35Å; S40-R44 PolarHBondContact O-N 3.26Å; S40-R44 PolarHBondContact O-NE 3.1Å
41	F	76.1	Confident	74.6	Confident	106 Å²	106	71.3 Å²	71.3	47%	0.465	35%	0.35	S	S	.	.	H	α-helix	trans	-65.6	-48.9	172.3	173.8	-98.4	0	0	0	111.9	R37 F38 Y39 R43 R44 K45	R37-F41 WeakPolarHBondContact O-CB 3.21Å; R37-F41 PolarHBondContact O-N 3.31Å; F38-F41 WeakPolarHBondContact O-CB 3.32Å; F38-F41 PolarHBondContact O-N 2.84Å; Y39-F41 VanDerWaalsContact C-N 3.28Å; Y39-F41 PolarHBondContact O-N 3.22Å; F41-R43 VanDerWaalsContact C-N 3.27Å; F41-R43 PolarHBondContact O-N 2.73Å; F41-R44 PolarHBondContact O-N 3.45Å; F41-K45 PolarHBondContact O-N 3.46Å; F41-K45 VanDerWaalsContact O-N 3.11Å
42	C	78.5	Confident	75.7	Confident	5 Å²	5	72 Å²	72	3%	0.034	36%	0.361	C	S	.	.	H	α-helix	trans	-60.5	-37.7	177.5	-64.7	0	0	0	0	111.9	F38 Y39 K45 S46 T95 A98 L102	F38-C42 PolarHBondContact O-N 2.81Å; F38-C42 PolarHBondContact O-SG 2.65Å; Y39-C42 PolarHBondContact O-N 2.79Å; C42-K45 PolarHBondContact O-N 2.84Å; C42-S46 VanDerWaalsContact O-CB 3.31Å; C42-S46 WeakPolarHBondContact O-CB 3.36Å; C42-S46 PolarHBondContact O-N 3.14Å; C42-S46 PolarHBondContact O-OG 2.99Å; C42-T95 HydrophobicContact CB-CG2 4.28Å; C42-A98 HydrophobicContact CB-CB 4.25Å; C42-L102 VanDerWaalsContact SG-CD2 3.56Å
43	R	83.3	Confident	76.6	Confident	96 Å²	96	73.5 Å²	73.5	36%	0.362	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-48.9	177.9	-171.2	178.3	169.2	-179	0.7	112.2	E24 E28 Y39 F41 K45 S46 F47 T95	E24-R43 IonicContact OE1-NH2 2.89Å; E28-R43 IonicContact OE1-NH1 2.81Å; Y39-R43 WeakPolarHBondContact O-CB 3.4Å; Y39-R43 PolarHBondContact O-N 2.86Å; F41-R43 VanDerWaalsContact C-N 3.27Å; F41-R43 PolarHBondContact O-N 2.73Å; R43-K45 VanDerWaalsContact C-N 3.33Å; R43-K45 PolarHBondContact O-N 2.78Å; R43-S46 PolarHBondContact O-N 3.27Å; R43-F47 WeakPolarHBondContact O-CB 3.37Å; R43-F47 PolarHBondContact O-N 3.36Å; R43-T95 WeakPolarHBondContact CA-OG1 3.29Å; R43-T95 HydrophobicContact CB-CG2 3.69Å; R43-T95 HydrophobicContact CG-CG2 4.28Å
44	R	76.6	Confident	77.9	Confident	161 Å²	161	71.7 Å²	71.7	61%	0.608	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-42.5	178.4	-76	-179.1	-76	169	-2.7	111.7	S40 F41 A48	S40-R44 PolarHBondContact O-N 3.26Å; S40-R44 PolarHBondContact O-NE 3.1Å; F41-R44 PolarHBondContact O-N 3.45Å; R44-A48 WeakPolarHBondContact O-CB 3.4Å; R44-A48 PolarHBondContact O-N 2.9Å
45	K	78.6	Confident	78.9	Confident	131 Å²	131	72 Å²	72	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-65	-45.4	177.5	-167.4	177.1	-179.5	-178.5	0	111.8	F41 C42 R43 A48 V49	F41-K45 PolarHBondContact O-N 3.46Å; F41-K45 VanDerWaalsContact O-N 3.11Å; C42-K45 PolarHBondContact O-N 2.84Å; R43-K45 VanDerWaalsContact C-N 3.33Å; R43-K45 PolarHBondContact O-N 2.78Å; K45-A48 PolarHBondContact O-N 2.94Å; K45-V49 VanDerWaalsContact O-CG2 3.29Å; K45-V49 WeakPolarHBondContact O-CG2 3.38Å; K45-V49 PolarHBondContact O-N 2.93Å
46	S	83.7	Confident	79	Confident	9 Å²	9	72.5 Å²	72.5	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-40.4	179.9	-56.9	0	0	0	0	112	C42 R43 V49 F50 L94 T95	C42-S46 VanDerWaalsContact O-CB 3.31Å; C42-S46 WeakPolarHBondContact O-CB 3.36Å; C42-S46 PolarHBondContact O-N 3.14Å; C42-S46 PolarHBondContact O-OG 2.99Å; R43-S46 PolarHBondContact O-N 3.27Å; S46-V49 PolarHBondContact O-N 3.45Å; S46-F50 WeakPolarHBondContact O-CB 3.47Å; S46-F50 PolarHBondContact O-N 3.47Å; S46-L94 PolarHBondContact OG-O 3.5Å; S46-T95 WeakPolarHBondContact OG-CA 3.29Å; S46-T95 PolarHBondContact OG-N 3.32Å
47	F	85.9	Confident	78.2	Confident	50 Å²	50	70.2 Å²	70.2	22%	0.219	37%	0.369	C	S	.	.	H	α-helix	trans	-61.8	-46.6	174.4	-170.3	-82.3	0	0	0	111.7	R43 V49 F50 V51 H80 V83 A84 V91	R43-F47 WeakPolarHBondContact O-CB 3.37Å; R43-F47 PolarHBondContact O-N 3.36Å; F47-V49 PolarHBondContact O-N 3.24Å; F47-F50 PolarHBondContact O-N 3.14Å; F47-V51 HydrophobicContact CD1-CG2 3.99Å; F47-V51 HydrophobicContact CE1-CG2 3.7Å; F47-V51 HydrophobicContact CZ-CG2 4.38Å; F47-V51 WeakPolarHBondContact O-CG2 3.21Å; F47-V51 PolarHBondContact O-N 3.42Å; F47-H80 HydrophobicContact CE1-CB 4.13Å; F47-H80 AromaticContact CE1-CD2 3.94Å; F47-H80 AromaticContact CE1-CG 3.95Å; F47-H80 HydrophobicContact CZ-CB 4.15Å; F47-H80 WeakPolarHBondContact CZ-O 3.3Å; F47-V83 HydrophobicContact CD2-CG1 4.09Å; F47-V83 HydrophobicContact CE2-CB 4.12Å; F47-V83 HydrophobicContact CE2-CG1 3.61Å; F47-V83 HydrophobicContact CZ-CB 4Å; F47-V83 HydrophobicContact CZ-CG1 3.9Å; F47-A84 HydrophobicContact CE2-CB 4.08Å; F47-A84 HydrophobicContact CZ-CB 4.39Å; F47-V91 HydrophobicContact CB-CG1 4.02Å; F47-V91 HydrophobicContact CD2-CG1 4.06Å; F47-V91 HydrophobicContact CD2-CG2 4.26Å
48	A	78.4	Confident	77	Confident	57 Å²	57	66.1 Å²	66.1	47%	0.471	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-42.5	178	0	0	0	0	0	112.4	R44 K45 F50 V51 A52	R44-A48 WeakPolarHBondContact O-CB 3.4Å; R44-A48 PolarHBondContact O-N 2.9Å; K45-A48 PolarHBondContact O-N 2.94Å; A48-F50 VanDerWaalsContact C-N 3.32Å; A48-F50 PolarHBondContact O-N 3.09Å; A48-V51 PolarHBondContact O-N 3.43Å; A48-A52 WeakPolarHBondContact O-CB 3.43Å; A48-A52 PolarHBondContact O-N 3.42Å
49	V	82.4	Confident	76	Confident	87 Å²	87	71.4 Å²	71.4	53%	0.527	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-40	175.9	169.9	0	0	0	0	111.3	K45 S46 F47 A52 S53	K45-V49 VanDerWaalsContact O-CG2 3.29Å; K45-V49 WeakPolarHBondContact O-CG2 3.38Å; K45-V49 PolarHBondContact O-N 2.93Å; S46-V49 PolarHBondContact O-N 3.45Å; F47-V49 PolarHBondContact O-N 3.24Å; V49-A52 PolarHBondContact O-N 3.33Å; V49-S53 PolarHBondContact O-N 2.97Å
50	F	86.6	Confident	74.3	Confident	24 Å²	24	76.7 Å²	76.7	11%	0.105	43%	0.425	C	S	.	.	H	α-helix	trans	-65.6	-43.4	176.4	-169	-80.5	0	0	0	112	S46 F47 A48 A52 S53 V54 V83 H87 E90 V91 L94	S46-F50 WeakPolarHBondContact O-CB 3.47Å; S46-F50 PolarHBondContact O-N 3.47Å; F47-F50 PolarHBondContact O-N 3.14Å; A48-F50 VanDerWaalsContact C-N 3.32Å; A48-F50 PolarHBondContact O-N 3.09Å; F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 3.35Å; F50-S53 PolarHBondContact O-N 2.87Å; F50-S53 PolarHBondContact O-OG 2.96Å; F50-V54 HydrophobicContact CE1-CG1 4.24Å; F50-V54 PolarHBondContact O-N 3.49Å; F50-V83 HydrophobicContact CD1-CB 4.44Å; F50-V83 HydrophobicContact CD1-CG1 3.59Å; F50-V83 HydrophobicContact CD1-CG2 3.91Å; F50-V83 HydrophobicContact CE1-CG1 4.05Å; F50-V83 HydrophobicContact CE1-CG2 4.01Å; F50-V83 HydrophobicContact CG-CG1 4.39Å; F50-H87 HydrophobicContact CE1-CB 3.73Å; F50-H87 AromaticContact CE1-CD2 3.97Å; F50-H87 AromaticContact CE1-CG 3.64Å; F50-H87 HydrophobicContact CE2-CB 4.37Å; F50-H87 HydrophobicContact CZ-CB 3.64Å; F50-H87 AromaticContact CZ-CG 3.47Å; F50-H87 VanDerWaalsContact CZ-CG 3.47Å; F50-H87 AromaticContact CZ-ND1 3.48Å; F50-H87 WeakPolarHBondContact CZ-ND1 3.38Å; F50-E90 HydrophobicContact CE2-CB 4.06Å; F50-E90 WeakPolarHBondContact CE2-OE2 3.13Å; F50-E90 VanDerWaalsContact CZ-OE2 3.29Å; F50-E90 WeakPolarHBondContact CZ-OE2 3.44Å; F50-V91 HydrophobicContact CB-CG2 4.13Å; F50-V91 HydrophobicContact CD1-CG2 4.47Å; F50-V91 HydrophobicContact CD2-CG2 4.31Å; F50-V91 HydrophobicContact CG-CG2 4.05Å; F50-L94 HydrophobicContact CB-CD1 4.43Å; F50-L94 HydrophobicContact CD2-CD1 3.88Å
51	V	83.9	Confident	73.2	Confident	7 Å²	7	83.4 Å²	83.4	4%	0.042	45%	0.448	C	S	.	.	H	α-helix	trans	-63.1	-39.8	176.3	173.2	0	0	0	0	110.9	F47 A48 S53 V54 W66 I79 V83	F47-V51 HydrophobicContact CD1-CG2 3.99Å; F47-V51 HydrophobicContact CE1-CG2 3.7Å; F47-V51 HydrophobicContact CZ-CG2 4.38Å; F47-V51 WeakPolarHBondContact O-CG2 3.21Å; F47-V51 PolarHBondContact O-N 3.42Å; A48-V51 PolarHBondContact O-N 3.43Å; V51-S53 VanDerWaalsContact C-N 3.34Å; V51-S53 PolarHBondContact O-N 2.9Å; V51-V54 WeakPolarHBondContact O-CG2 3.33Å; V51-V54 PolarHBondContact O-N 3.39Å; V51-W66 VanDerWaalsContact O-CD1 3.25Å; V51-I79 HydrophobicContact CG1-CG1 4.29Å; V51-I79 HydrophobicContact CG1-CG2 4.19Å; V51-V83 HydrophobicContact CG2-CB 4.4Å; V51-V83 HydrophobicContact CG2-CG1 4.4Å; V51-V83 HydrophobicContact CG2-CG2 4.07Å
52	A	84.6	Confident	72.2	Confident	54 Å²	54	82.7 Å²	82.7	45%	0.446	47%	0.47	S	S	.	.	H	α-helix	trans	-66.2	-33.9	175.9	0	0	0	0	0	112.7	A48 V49 F50 V54 Q55	A48-A52 WeakPolarHBondContact O-CB 3.43Å; A48-A52 PolarHBondContact O-N 3.42Å; V49-A52 PolarHBondContact O-N 3.33Å; F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 3.35Å; A52-V54 PolarHBondContact O-N 2.94Å; A52-Q55 VanDerWaalsContact O-CB 3.26Å; A52-Q55 WeakPolarHBondContact O-CB 3.2Å; A52-Q55 PolarHBondContact O-N 3.11Å
53	S	84.8	Confident	71.2	Confident	86 Å²	86	87.6 Å²	87.6	60%	0.601	50%	0.5	S	S	*	.	H	α-helix	trans	-69.9	-21.6	-179.8	75.7	0	0	0	0	113.6	V49 F50 V51	V49-S53 PolarHBondContact O-N 2.97Å; F50-S53 PolarHBondContact O-N 2.87Å; F50-S53 PolarHBondContact O-OG 2.96Å; V51-S53 VanDerWaalsContact C-N 3.34Å; V51-S53 PolarHBondContact O-N 2.9Å
54	V	84.5	Confident	70.6	Confident	23 Å²	23	88.7 Å²	88.7	14%	0.139	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	9.6	176.4	-58.5	0	0	0	0	112.9	F50 V51 A52 W66 C67 C68 I79	F50-V54 HydrophobicContact CE1-CG1 4.24Å; F50-V54 PolarHBondContact O-N 3.49Å; V51-V54 WeakPolarHBondContact O-CG2 3.33Å; V51-V54 PolarHBondContact O-N 3.39Å; A52-V54 PolarHBondContact O-N 2.94Å; V54-W66 CarbonylContact O-C 3.54Å; V54-W66 WeakPolarHBondContact O-CA 3.3Å; V54-C67 PolarHBondContact O-N 3.25Å; V54-C68 HydrophobicContact CB-CB 4.17Å; V54-C68 HydrophobicContact CG1-CB 4.31Å; V54-C68 HydrophobicContact CG2-CB 4.26Å; V54-I79 HydrophobicContact CG2-CD1 4.07Å; V54-I79 HydrophobicContact CG2-CG1 4.34Å
55	Q	81.8	Confident	70.8	Confident	71 Å²	71	82.7 Å²	82.7	33%	0.332	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.4	175.5	-166.2	173.4	6.3	0	0	110.4	A52 E64	A52-Q55 VanDerWaalsContact O-CB 3.26Å; A52-Q55 WeakPolarHBondContact O-CB 3.2Å; A52-Q55 PolarHBondContact O-N 3.11Å; Q55-E64 PolarHBondContact NE2-OE2 3.02Å; Q55-E64 VanDerWaalsContact NE2-OE2 3.12Å
56	N	72.1	Confident	71.3	Confident	82 Å²	82	76.7 Å²	76.7	44%	0.439	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.8	177.3	-92.3	-6.8	0	0	0	110.3	C58 S65 C67	N56-C58 PolarHBondContact O-N 2.63Å; N56-S65 PolarHBondContact N-O 3.25Å; N56-C67 WeakPolarHBondContact ND2-CB 3.37Å; N56-C67 PolarHBondContact ND2-SG 2.85Å
57	G	55.1	Low	71.4	Confident	79 Å²	79	78.3 Å²	78.3	81%	0.814	48%	0.477	S	S	*	.			trans	-75.1	33.6	179.8	0	0	0	0	0	115.7	Q59	G57-Q59 PolarHBondContact O-N 3.04Å
58	C	43.6	Very low	71.4	Confident	108 Å²	108	76.3 Å²	76.3	73%	0.73	47%	0.469	S	S	*	.			trans	-74.9	100.3	-178.5	-148.3	0	0	0	0	110.1	N56 D60	N56-C58 PolarHBondContact O-N 2.63Å; C58-D60 VanDerWaalsContact C-N 3.28Å; C58-D60 PolarHBondContact O-N 2.89Å
59	Q	48.7	Very low	71.7	Confident	194 Å²	194	77.6 Å²	77.6	91%	0.907	47%	0.474	S	S	*	.			trans	-70.9	82.2	170.2	-75.9	-175	-23.4	0	0	109.9	G57	G57-Q59 PolarHBondContact O-N 3.04Å
60	D	41.8	Very low	71.7	Confident	134 Å²	134	77.6 Å²	77.6	72%	0.717	49%	0.491	S	S	*	.	S	Bend	trans	-142.7	108.5	153	-137.7	-11.7	0	0	0	109.7	C58	C58-D60 VanDerWaalsContact C-N 3.28Å; C58-D60 PolarHBondContact O-N 2.89Å
61	K	46.5	Very low	71.5	Confident	188 Å²	188	81.4 Å²	81.4	82%	0.817	51%	0.509	S	S	*	.	S	Bend	trans	43.4	80.7	174.5	-65.7	-178.7	180	176.6	0	116.8	T63	K61-T63 PolarHBondContact O-N 3.19Å; K61-T63 VanDerWaalsContact O-N 3.12Å; K61-T63 PolarHBondContact O-OG1 3.03Å
62	G	54.5	Low	71.7	Confident	90 Å²	90	86 Å²	86	93%	0.928	54%	0.537	S	S	*	.	S	Bend	trans	71.6	12.7	137.4	0	0	0	0	0	119.1
63	T	57.5	Low	71.7	Confident	109 Å²	109	84.5 Å²	84.5	67%	0.669	52%	0.521	S	S	*	.			trans	-127.4	107.9	174.3	-9.4	0	0	0	0	109.8	K61	K61-T63 PolarHBondContact O-N 3.19Å; K61-T63 VanDerWaalsContact O-N 3.12Å; K61-T63 PolarHBondContact O-OG1 3.03Å
64	E	72.1	Confident	71.5	Confident	118 Å²	118	84.7 Å²	84.7	55%	0.551	52%	0.523	S	S	*	.			trans	-63.1	135.1	173.3	-64.2	-175	165.1	0	0	109.6	Q55 W66	Q55-E64 PolarHBondContact NE2-OE2 3.02Å; Q55-E64 VanDerWaalsContact NE2-OE2 3.12Å; E64-W66 HydrophobicContact CB-CH2 4.02Å; E64-W66 HydrophobicContact CB-CZ2 4.25Å
65	S	80.8	Confident	71.4	Confident	35 Å²	35	89.3 Å²	89.3	25%	0.245	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.7	177.3	62.2	0	0	0	0	110.8	N56 F73	N56-S65 PolarHBondContact N-O 3.25Å; S65-F73 WeakPolarHBondContact CA-O 3.36Å
66	W	88.5	Confident	71.4	Confident	5 Å²	5	88.8 Å²	88.8	2%	0.019	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140	178.5	-59.1	-92.5	0	0	0	109.9	V51 V54 E64 T72 F73 H76 I79	V51-W66 VanDerWaalsContact O-CD1 3.25Å; V54-W66 CarbonylContact O-C 3.54Å; V54-W66 WeakPolarHBondContact O-CA 3.3Å; E64-W66 HydrophobicContact CB-CH2 4.02Å; E64-W66 HydrophobicContact CB-CZ2 4.25Å; W66-T72 CarbonylContact O-C 3.53Å; W66-T72 WeakPolarHBondContact O-CA 3.38Å; W66-F73 HydrophobicContact CB-CB 4.36Å; W66-F73 PolarHBondContact N-O 3.48Å; W66-F73 PolarHBondContact O-N 3.29Å; W66-H76 AromaticContact CH2-CD2 3.37Å; W66-H76 WeakPolarHBondContact CH2-CD2 3Å; W66-H76 AromaticContact CH2-CE1 3.72Å; W66-H76 AromaticContact CH2-CG 3.77Å; W66-H76 AromaticContact CH2-ND1 3.96Å; W66-H76 AromaticContact CH2-NE2 3.36Å; W66-H76 WeakPolarHBondContact CH2-NE2 3.43Å; W66-H76 AromaticContact CZ2-CD2 3.81Å; W66-H76 AromaticContact CZ2-CE1 3.3Å; W66-H76 WeakPolarHBondContact CZ2-CE1 3.45Å; W66-H76 AromaticContact CZ2-ND1 3.75Å; W66-H76 AromaticContact CZ2-NE2 3.33Å; W66-H76 VanDerWaalsContact CZ2-NE2 3.33Å; W66-H76 WeakPolarHBondContact CZ2-NE2 3.35Å; W66-I79 HydrophobicContact CB-CB 4.19Å; W66-I79 HydrophobicContact CB-CD1 3.95Å; W66-I79 HydrophobicContact CB-CG1 3.79Å; W66-I79 HydrophobicContact CD2-CB 4.37Å; W66-I79 HydrophobicContact CD2-CG2 3.8Å; W66-I79 HydrophobicContact CE3-CG2 3.92Å; W66-I79 HydrophobicContact CG-CB 4.21Å; W66-I79 HydrophobicContact CG-CG1 3.92Å; W66-I79 HydrophobicContact CG-CG2 4.06Å
67	C	85.8	Confident	71.9	Confident	44 Å²	44	86.6 Å²	86.6	30%	0.297	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112.3	174.6	-82.9	0	0	0	0	109.9	V54 N56 Q71 T72	V54-C67 PolarHBondContact O-N 3.25Å; N56-C67 WeakPolarHBondContact ND2-CB 3.37Å; N56-C67 PolarHBondContact ND2-SG 2.85Å; C67-Q71 WeakPolarHBondContact CA-O 3.36Å; C67-T72 PolarHBondContact SG-OG1 2.86Å
68	C	85.4	Confident	73.3	Confident	8 Å²	8	84.5 Å²	84.5	5%	0.054	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	137.3	-177.3	-164.1	0	0	0	0	109.9	V54 G70 Q71 F73 I79 H87	V54-C68 HydrophobicContact CB-CB 4.17Å; V54-C68 HydrophobicContact CG1-CB 4.31Å; V54-C68 HydrophobicContact CG2-CB 4.26Å; C68-G70 PolarHBondContact O-N 3.31Å; C68-G70 VanDerWaalsContact O-N 3.09Å; C68-Q71 PolarHBondContact N-O 3.48Å; C68-Q71 PolarHBondContact O-N 3.05Å; C68-F73 HydrophobicContact CB-CE2 4.18Å; C68-I79 HydrophobicContact CB-CD1 3.84Å; C68-H87 PolarHBondContact SG-NE2 3.17Å
69	C	85.9	Confident	75.4	Confident	84 Å²	84	79.3 Å²	79.3	57%	0.568	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	32.6	-176.9	-70.5	0	0	0	0	115	Q71 H87	C69-Q71 PolarHBondContact O-N 3.25Å; C69-H87 VanDerWaalsContact SG-CE1 3.52Å; C69-H87 PolarHBondContact SG-NE2 2.94Å
70	G	81	Confident	77.3	Confident	87 Å²	87	73.1 Å²	73.1	90%	0.897	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	9.9	-177.2	0	0	0	0	0	114.9	C68	C68-G70 PolarHBondContact O-N 3.31Å; C68-G70 VanDerWaalsContact O-N 3.09Å
71	Q	83.4	Confident	79.4	Confident	104 Å²	104	72.3 Å²	72.3	49%	0.486	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.8	173.7	-61.4	-178.6	5.7	0	0	110.1	C67 C68 C69 F73	C67-Q71 WeakPolarHBondContact CA-O 3.36Å; C68-Q71 PolarHBondContact N-O 3.48Å; C68-Q71 PolarHBondContact O-N 3.05Å; C69-Q71 PolarHBondContact O-N 3.25Å; Q71-F73 HydrophobicContact CB-CE2 3.68Å; Q71-F73 HydrophobicContact CB-CZ 3.67Å
72	T	86.4	Confident	81.4	Confident	103 Å²	103	64.3 Å²	64.3	63%	0.632	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	132	174.8	-54.7	0	0	0	0	109.8	W66 C67	W66-T72 CarbonylContact O-C 3.53Å; W66-T72 WeakPolarHBondContact O-CA 3.38Å; C67-T72 PolarHBondContact SG-OG1 2.86Å
73	F	84.9	Confident	82.9	Confident	22 Å²	22	60 Å²	60	10%	0.096	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.4	-179.8	-54.3	-90.6	0	0	0	109.2	S65 W66 C68 Q71 A78 I79 H82	S65-F73 WeakPolarHBondContact CA-O 3.36Å; W66-F73 HydrophobicContact CB-CB 4.36Å; W66-F73 PolarHBondContact N-O 3.48Å; W66-F73 PolarHBondContact O-N 3.29Å; C68-F73 HydrophobicContact CB-CE2 4.18Å; Q71-F73 HydrophobicContact CB-CE2 3.68Å; Q71-F73 HydrophobicContact CB-CZ 3.67Å; F73-A78 HydrophobicContact CD1-CB 3.86Å; F73-I79 HydrophobicContact CB-CB 4Å; F73-I79 HydrophobicContact CD2-CB 4.37Å; F73-I79 HydrophobicContact CD2-CD1 3.58Å; F73-I79 HydrophobicContact CE2-CD1 3.84Å; F73-I79 HydrophobicContact CG-CB 4.08Å; F73-I79 HydrophobicContact CG-CD1 4.16Å; F73-H82 HydrophobicContact CE1-CB 3.9Å; F73-H82 HydrophobicContact CE2-CB 4.38Å; F73-H82 HydrophobicContact CZ-CB 3.66Å; F73-H82 AromaticContact CZ-CD2 3.94Å; F73-H82 AromaticContact CZ-CG 3.47Å; F73-H82 VanDerWaalsContact CZ-CG 3.47Å; F73-H82 AromaticContact CZ-ND1 3.7Å
74	S	81.2	Confident	84.1	Confident	91 Å²	91	57.2 Å²	57.2	64%	0.636	34%	0.341	S	S	*	.	S	Bend	trans	-105.1	-4.9	175.7	55.4	0	0	0	0	113.1
75	E	82.6	Confident	84.7	Confident	120 Å²	120	60.4 Å²	60.4	56%	0.561	35%	0.353	S	S	*	.	S	Bend	trans	-124.2	134	-179.6	-66.7	-175.2	-172.9	0	0	111	S77 A78 I79	E75-S77 VanDerWaalsContact C-N 3.25Å; E75-S77 PolarHBondContact O-N 3.44Å; E75-A78 HydrophobicContact CB-CB 4.3Å; E75-A78 PolarHBondContact O-N 3.16Å; E75-A78 VanDerWaalsContact O-N 3.11Å; E75-I79 PolarHBondContact O-N 3.29Å
76	H	82.3	Confident	85	Confident	59 Å²	59	61.8 Å²	61.8	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-52	-42.8	174	-92.6	-78.8	0	0	0	112.9	F12 W66 A78 I79 H80	F12-H76 AromaticContact CE2-CD2 3.95Å; W66-H76 AromaticContact CH2-CD2 3.37Å; W66-H76 WeakPolarHBondContact CH2-CD2 3Å; W66-H76 AromaticContact CH2-CE1 3.72Å; W66-H76 AromaticContact CH2-CG 3.77Å; W66-H76 AromaticContact CH2-ND1 3.96Å; W66-H76 AromaticContact CH2-NE2 3.36Å; W66-H76 WeakPolarHBondContact CH2-NE2 3.43Å; W66-H76 AromaticContact CZ2-CD2 3.81Å; W66-H76 AromaticContact CZ2-CE1 3.3Å; W66-H76 WeakPolarHBondContact CZ2-CE1 3.45Å; W66-H76 AromaticContact CZ2-ND1 3.75Å; W66-H76 AromaticContact CZ2-NE2 3.33Å; W66-H76 VanDerWaalsContact CZ2-NE2 3.33Å; W66-H76 WeakPolarHBondContact CZ2-NE2 3.35Å; H76-A78 VanDerWaalsContact C-N 3.25Å; H76-A78 PolarHBondContact O-N 2.85Å; H76-I79 WeakPolarHBondContact O-CG2 3.23Å; H76-I79 PolarHBondContact O-N 3.05Å; H76-H80 AromaticContact ND1-CE1 3.92Å; H76-H80 AromaticContact ND1-NE2 3.51Å; H76-H80 WeakPolarHBondContact O-CB 3.47Å; H76-H80 PolarHBondContact O-CD2 3.48Å; H76-H80 VanDerWaalsContact O-CD2 3.3Å; H76-H80 PolarHBondContact O-N 2.9Å
77	S	82.7	Confident	85	Confident	37 Å²	37	62.3 Å²	62.3	26%	0.259	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-34.5	-177.2	83.4	0	0	0	0	112.3	E75 K81	E75-S77 VanDerWaalsContact C-N 3.25Å; E75-S77 PolarHBondContact O-N 3.44Å; S77-K81 WeakPolarHBondContact O-CG 3.43Å; S77-K81 PolarHBondContact O-N 2.94Å; S77-K81 VanDerWaalsContact O-N 3.16Å
78	A	83.4	Confident	84.9	Confident	34 Å²	34	62.6 Å²	62.6	28%	0.281	36%	0.364	S	S	.	.	H	α-helix	trans	-75.2	-45	-178.6	0	0	0	0	0	111.2	F73 E75 H76 K81 H82	F73-A78 HydrophobicContact CD1-CB 3.86Å; E75-A78 HydrophobicContact CB-CB 4.3Å; E75-A78 PolarHBondContact O-N 3.16Å; E75-A78 VanDerWaalsContact O-N 3.11Å; H76-A78 VanDerWaalsContact C-N 3.25Å; H76-A78 PolarHBondContact O-N 2.85Å; A78-K81 PolarHBondContact O-N 3.34Å; A78-H82 WeakPolarHBondContact O-CB 3.33Å; A78-H82 PolarHBondContact O-N 2.81Å
79	I	87.7	Confident	84.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-66.8	-38.8	176.1	-175.9	63.5	0	0	0	111.5	V51 V54 W66 C68 F73 E75 H76 K81 H82 V83	V51-I79 HydrophobicContact CG1-CG1 4.29Å; V51-I79 HydrophobicContact CG1-CG2 4.19Å; V54-I79 HydrophobicContact CG2-CD1 4.07Å; V54-I79 HydrophobicContact CG2-CG1 4.34Å; W66-I79 HydrophobicContact CB-CB 4.19Å; W66-I79 HydrophobicContact CB-CD1 3.95Å; W66-I79 HydrophobicContact CB-CG1 3.79Å; W66-I79 HydrophobicContact CD2-CB 4.37Å; W66-I79 HydrophobicContact CD2-CG2 3.8Å; W66-I79 HydrophobicContact CE3-CG2 3.92Å; W66-I79 HydrophobicContact CG-CB 4.21Å; W66-I79 HydrophobicContact CG-CG1 3.92Å; W66-I79 HydrophobicContact CG-CG2 4.06Å; C68-I79 HydrophobicContact CB-CD1 3.84Å; F73-I79 HydrophobicContact CB-CB 4Å; F73-I79 HydrophobicContact CD2-CB 4.37Å; F73-I79 HydrophobicContact CD2-CD1 3.58Å; F73-I79 HydrophobicContact CE2-CD1 3.84Å; F73-I79 HydrophobicContact CG-CB 4.08Å; F73-I79 HydrophobicContact CG-CD1 4.16Å; E75-I79 PolarHBondContact O-N 3.29Å; H76-I79 WeakPolarHBondContact O-CG2 3.23Å; H76-I79 PolarHBondContact O-N 3.05Å; I79-K81 PolarHBondContact O-N 2.94Å; I79-H82 WeakPolarHBondContact O-CB 3.48Å; I79-H82 PolarHBondContact O-N 3.14Å; I79-V83 HydrophobicContact CD1-CG2 4.01Å; I79-V83 HydrophobicContact CG1-CG2 4.16Å; I79-V83 WeakPolarHBondContact O-CG2 3.29Å; I79-V83 PolarHBondContact O-N 3.4Å
80	H	88.6	Confident	84.8	Confident	63 Å²	63	65.3 Å²	65.3	29%	0.292	38%	0.375	S	S	.	.	H	α-helix	trans	-62.4	-43.8	176.6	-69.2	-177.7	0	0	0	111.7	F47 H76 H82 V83 A84	F47-H80 HydrophobicContact CE1-CB 4.13Å; F47-H80 AromaticContact CE1-CD2 3.94Å; F47-H80 AromaticContact CE1-CG 3.95Å; F47-H80 HydrophobicContact CZ-CB 4.15Å; F47-H80 WeakPolarHBondContact CZ-O 3.3Å; H76-H80 AromaticContact ND1-CE1 3.92Å; H76-H80 AromaticContact ND1-NE2 3.51Å; H76-H80 WeakPolarHBondContact O-CB 3.47Å; H76-H80 PolarHBondContact O-CD2 3.48Å; H76-H80 VanDerWaalsContact O-CD2 3.3Å; H76-H80 PolarHBondContact O-N 2.9Å; H80-H82 VanDerWaalsContact C-N 3.32Å; H80-H82 PolarHBondContact O-N 2.78Å; H80-V83 PolarHBondContact O-N 3.47Å; H80-A84 VanDerWaalsContact O-CB 3.25Å; H80-A84 WeakPolarHBondContact O-CB 3.46Å; H80-A84 PolarHBondContact O-N 2.98Å
81	K	86.2	Confident	84.9	Confident	118 Å²	118	61.5 Å²	61.5	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-39.5	175.1	-76	173.7	-176.2	170.7	0	112	S77 A78 I79 K85	S77-K81 WeakPolarHBondContact O-CG 3.43Å; S77-K81 PolarHBondContact O-N 2.94Å; S77-K81 VanDerWaalsContact O-N 3.16Å; A78-K81 PolarHBondContact O-N 3.34Å; I79-K81 PolarHBondContact O-N 2.94Å; K81-K85 WeakPolarHBondContact O-CB 3.21Å; K81-K85 PolarHBondContact O-N 3.23Å; K81-K85 VanDerWaalsContact O-N 3.17Å
82	H	87.8	Confident	84.8	Confident	20 Å²	20	59.8 Å²	59.8	9%	0.093	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-52.8	176.2	178.4	79.3	0	0	0	111.4	F73 A78 I79 H80 A84 K85 S86 H87	F73-H82 HydrophobicContact CE1-CB 3.9Å; F73-H82 HydrophobicContact CE2-CB 4.38Å; F73-H82 HydrophobicContact CZ-CB 3.66Å; F73-H82 AromaticContact CZ-CD2 3.94Å; F73-H82 AromaticContact CZ-CG 3.47Å; F73-H82 VanDerWaalsContact CZ-CG 3.47Å; F73-H82 AromaticContact CZ-ND1 3.7Å; A78-H82 WeakPolarHBondContact O-CB 3.33Å; A78-H82 PolarHBondContact O-N 2.81Å; I79-H82 WeakPolarHBondContact O-CB 3.48Å; I79-H82 PolarHBondContact O-N 3.14Å; H80-H82 VanDerWaalsContact C-N 3.32Å; H80-H82 PolarHBondContact O-N 2.78Å; H82-A84 VanDerWaalsContact C-N 3.34Å; H82-A84 PolarHBondContact O-N 2.76Å; H82-K85 PolarHBondContact O-N 2.99Å; H82-K85 VanDerWaalsContact O-N 3.11Å; H82-S86 WeakPolarHBondContact O-CB 3.22Å; H82-S86 PolarHBondContact O-N 3.1Å; H82-H87 AromaticContact NE2-CD2 3.89Å; H82-H87 AromaticContact NE2-NE2 3.65Å
83	V	86.6	Confident	84.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-43.5	179.2	172.8	0	0	0	0	111.3	F47 F50 V51 I79 H80 K85 H87 N88 V91	F47-V83 HydrophobicContact CD2-CG1 4.09Å; F47-V83 HydrophobicContact CE2-CB 4.12Å; F47-V83 HydrophobicContact CE2-CG1 3.61Å; F47-V83 HydrophobicContact CZ-CB 4Å; F47-V83 HydrophobicContact CZ-CG1 3.9Å; F50-V83 HydrophobicContact CD1-CB 4.44Å; F50-V83 HydrophobicContact CD1-CG1 3.59Å; F50-V83 HydrophobicContact CD1-CG2 3.91Å; F50-V83 HydrophobicContact CE1-CG1 4.05Å; F50-V83 HydrophobicContact CE1-CG2 4.01Å; F50-V83 HydrophobicContact CG-CG1 4.39Å; V51-V83 HydrophobicContact CG2-CB 4.4Å; V51-V83 HydrophobicContact CG2-CG1 4.4Å; V51-V83 HydrophobicContact CG2-CG2 4.07Å; I79-V83 HydrophobicContact CD1-CG2 4.01Å; I79-V83 HydrophobicContact CG1-CG2 4.16Å; I79-V83 WeakPolarHBondContact O-CG2 3.29Å; I79-V83 PolarHBondContact O-N 3.4Å; H80-V83 PolarHBondContact O-N 3.47Å; V83-K85 PolarHBondContact O-N 2.89Å; V83-H87 HydrophobicContact CG1-CB 4.22Å; V83-H87 CarbonylContact O-C 3.53Å; V83-H87 WeakPolarHBondContact O-CA 3.49Å; V83-H87 PolarHBondContact O-N 3.06Å; V83-N88 PolarHBondContact O-N 2.96Å; V83-V91 HydrophobicContact CG1-CG2 3.85Å
84	A	83.6	Confident	84.7	Confident	50 Å²	50	63.8 Å²	63.8	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-30	177.9	0	0	0	0	0	113.4	F47 H80 H82	F47-A84 HydrophobicContact CE2-CB 4.08Å; F47-A84 HydrophobicContact CZ-CB 4.39Å; H80-A84 VanDerWaalsContact O-CB 3.25Å; H80-A84 WeakPolarHBondContact O-CB 3.46Å; H80-A84 PolarHBondContact O-N 2.98Å; H82-A84 VanDerWaalsContact C-N 3.34Å; H82-A84 PolarHBondContact O-N 2.76Å
85	K	84.7	Confident	84.8	Confident	185 Å²	185	59.6 Å²	59.6	80%	0.804	31%	0.311	S	S	*	.	H	α-helix	trans	-92.9	-42	-178.1	-172.7	178	179.6	-178.8	0	113.3	K81 H82 V83	K81-K85 WeakPolarHBondContact O-CB 3.21Å; K81-K85 PolarHBondContact O-N 3.23Å; K81-K85 VanDerWaalsContact O-N 3.17Å; H82-K85 PolarHBondContact O-N 2.99Å; H82-K85 VanDerWaalsContact O-N 3.11Å; V83-K85 PolarHBondContact O-N 2.89Å
86	S	87.3	Confident	84.9	Confident	63 Å²	63	56.9 Å²	56.9	44%	0.441	30%	0.298	S	S	.	.	H	α-helix	trans	-99.9	-24.3	-169.5	-67.9	0	0	0	0	113.6	H82	H82-S86 WeakPolarHBondContact O-CB 3.22Å; H82-S86 PolarHBondContact O-N 3.1Å
87	H	87.6	Confident	85.1	Confident	17 Å²	17	56.9 Å²	56.9	8%	0.079	31%	0.308	C	S	.	.	S	Bend	trans	-122.3	19.5	-175.2	-63.9	-77.9	0	0	0	113	F50 C68 C69 H82 V83 S89 E90 V91	F50-H87 HydrophobicContact CE1-CB 3.73Å; F50-H87 AromaticContact CE1-CD2 3.97Å; F50-H87 AromaticContact CE1-CG 3.64Å; F50-H87 HydrophobicContact CE2-CB 4.37Å; F50-H87 HydrophobicContact CZ-CB 3.64Å; F50-H87 AromaticContact CZ-CG 3.47Å; F50-H87 VanDerWaalsContact CZ-CG 3.47Å; F50-H87 AromaticContact CZ-ND1 3.48Å; F50-H87 WeakPolarHBondContact CZ-ND1 3.38Å; C68-H87 PolarHBondContact SG-NE2 3.17Å; C69-H87 VanDerWaalsContact SG-CE1 3.52Å; C69-H87 PolarHBondContact SG-NE2 2.94Å; H82-H87 AromaticContact NE2-CD2 3.89Å; H82-H87 AromaticContact NE2-NE2 3.65Å; V83-H87 HydrophobicContact CG1-CB 4.22Å; V83-H87 CarbonylContact O-C 3.53Å; V83-H87 WeakPolarHBondContact O-CA 3.49Å; V83-H87 PolarHBondContact O-N 3.06Å; H87-S89 VanDerWaalsContact C-N 3.29Å; H87-S89 PolarHBondContact O-N 3.04Å; H87-E90 IonicContact CE1-OE2 2.94Å; H87-E90 IonicContact CG-OE2 2.74Å; H87-E90 IonicContact ND1-OE1 2.63Å; H87-E90 IonicContact ND1-OE2 3.88Å; H87-E90 PolarHBondContact ND1-OE2 2.97Å; H87-E90 PolarHBondContact O-N 3.47Å; H87-E90 VanDerWaalsContact O-N 3.13Å; H87-V91 WeakPolarHBondContact O-CG2 3.4Å; H87-V91 PolarHBondContact O-N 2.69Å
88	N	83.1	Confident	85	Confident	50 Å²	50	56.8 Å²	56.8	27%	0.267	31%	0.31	S	S	.	.	H	α-helix	trans	-54.1	-43.9	-179	-177	-84.7	0	0	0	112.3	E24 V83 E90 V91 Q92	E24-N88 PolarHBondContact OE1-ND2 3.32Å; V83-N88 PolarHBondContact O-N 2.96Å; N88-E90 PolarHBondContact O-N 3.46Å; N88-V91 PolarHBondContact O-N 3.12Å; N88-Q92 WeakPolarHBondContact O-CB 3.49Å; N88-Q92 PolarHBondContact O-N 3.23Å
89	S	83.1	Confident	84.8	Confident	68 Å²	68	56.1 Å²	56.1	48%	0.476	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-37.3	179.3	51.6	0	0	0	0	113.3	H87 Q92 Q93	H87-S89 VanDerWaalsContact C-N 3.29Å; H87-S89 PolarHBondContact O-N 3.04Å; S89-Q92 PolarHBondContact O-N 3.47Å; S89-Q93 WeakPolarHBondContact O-CG 3.46Å; S89-Q93 PolarHBondContact O-N 3.27Å
90	E	85.9	Confident	84.6	Confident	81 Å²	81	61.5 Å²	61.5	38%	0.379	33%	0.325	S	S	.	.	H	α-helix	trans	-73.9	-42.7	-179.9	-67.4	164.6	-169.2	0	0	110.7	F50 H87 N88 Q92 Q93 L94	F50-E90 HydrophobicContact CE2-CB 4.06Å; F50-E90 WeakPolarHBondContact CE2-OE2 3.13Å; F50-E90 VanDerWaalsContact CZ-OE2 3.29Å; F50-E90 WeakPolarHBondContact CZ-OE2 3.44Å; H87-E90 IonicContact CE1-OE2 2.94Å; H87-E90 IonicContact CG-OE2 2.74Å; H87-E90 IonicContact ND1-OE1 2.63Å; H87-E90 IonicContact ND1-OE2 3.88Å; H87-E90 PolarHBondContact ND1-OE2 2.97Å; H87-E90 PolarHBondContact O-N 3.47Å; H87-E90 VanDerWaalsContact O-N 3.13Å; N88-E90 PolarHBondContact O-N 3.46Å; E90-Q92 VanDerWaalsContact C-N 3.26Å; E90-Q92 PolarHBondContact O-N 2.84Å; E90-Q93 PolarHBondContact O-N 3.14Å; E90-L94 WeakPolarHBondContact O-CG 3.4Å; E90-L94 PolarHBondContact O-N 3.27Å
91	V	84.4	Confident	84.2	Confident	7 Å²	7	63.9 Å²	63.9	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-37.4	172.5	175.7	0	0	0	0	110.8	F47 F50 V83 H87 N88 L94 T95	F47-V91 HydrophobicContact CB-CG1 4.02Å; F47-V91 HydrophobicContact CD2-CG1 4.06Å; F47-V91 HydrophobicContact CD2-CG2 4.26Å; F50-V91 HydrophobicContact CB-CG2 4.13Å; F50-V91 HydrophobicContact CD1-CG2 4.47Å; F50-V91 HydrophobicContact CD2-CG2 4.31Å; F50-V91 HydrophobicContact CG-CG2 4.05Å; V83-V91 HydrophobicContact CG1-CG2 3.85Å; H87-V91 WeakPolarHBondContact O-CG2 3.4Å; H87-V91 PolarHBondContact O-N 2.69Å; N88-V91 PolarHBondContact O-N 3.12Å; V91-L94 PolarHBondContact O-N 2.96Å; V91-T95 VanDerWaalsContact O-CB 3.3Å; V91-T95 WeakPolarHBondContact O-CB 3.32Å; V91-T95 PolarHBondContact O-N 3.06Å; V91-T95 PolarHBondContact O-OG1 3.44Å
92	Q	81.8	Confident	83.8	Confident	67 Å²	67	59.9 Å²	59.9	31%	0.313	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-45.8	175.6	-176.2	175.5	-4.2	0	0	111.5	N88 S89 E90 L94 T95 E96	N88-Q92 WeakPolarHBondContact O-CB 3.49Å; N88-Q92 PolarHBondContact O-N 3.23Å; S89-Q92 PolarHBondContact O-N 3.47Å; E90-Q92 VanDerWaalsContact C-N 3.26Å; E90-Q92 PolarHBondContact O-N 2.84Å; Q92-L94 VanDerWaalsContact C-N 3.35Å; Q92-L94 PolarHBondContact O-N 3.45Å; Q92-T95 WeakPolarHBondContact O-CA 3.29Å; Q92-T95 VanDerWaalsContact O-CB 3.32Å; Q92-T95 WeakPolarHBondContact O-CB 3.48Å; Q92-T95 PolarHBondContact O-N 2.98Å; Q92-T95 VanDerWaalsContact O-N 3.1Å; Q92-E96 PolarHBondContact NE2-OE1 3.46Å; Q92-E96 WeakPolarHBondContact O-CG 3.37Å; Q92-E96 PolarHBondContact O-N 2.85Å
93	Q	85.4	Confident	83.3	Confident	132 Å²	132	61.2 Å²	61.2	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-61.2	-42.3	176.4	-73.4	173.8	1.8	0	0	112.3	S89 E90 T95 E96 A97	S89-Q93 WeakPolarHBondContact O-CG 3.46Å; S89-Q93 PolarHBondContact O-N 3.27Å; E90-Q93 PolarHBondContact O-N 3.14Å; Q93-T95 VanDerWaalsContact C-N 3.29Å; Q93-T95 PolarHBondContact O-N 3.17Å; Q93-E96 PolarHBondContact O-N 3.46Å; Q93-A97 WeakPolarHBondContact O-CB 3.36Å; Q93-A97 PolarHBondContact O-N 2.97Å
94	L	83.3	Confident	82.9	Confident	78 Å²	78	66.9 Å²	66.9	41%	0.408	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-38.7	173.9	-70.5	171.6	0	0	0	111.8	S46 F50 E90 V91 Q92 A98	S46-L94 PolarHBondContact OG-O 3.5Å; F50-L94 HydrophobicContact CB-CD1 4.43Å; F50-L94 HydrophobicContact CD2-CD1 3.88Å; E90-L94 WeakPolarHBondContact O-CG 3.4Å; E90-L94 PolarHBondContact O-N 3.27Å; V91-L94 PolarHBondContact O-N 2.96Å; Q92-L94 VanDerWaalsContact C-N 3.35Å; Q92-L94 PolarHBondContact O-N 3.45Å; L94-A98 WeakPolarHBondContact O-CB 3.5Å; L94-A98 PolarHBondContact O-N 3.32Å
95	T	83.8	Confident	82.3	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-46	177.4	-60.2	0	0	0	0	111.5	Y39 C42 R43 S46 V91 Q92 Q93 A98 Y99	Y39-T95 HydrophobicContact CD2-CG2 4.5Å; Y39-T95 HydrophobicContact CE1-CG2 4.12Å; Y39-T95 HydrophobicContact CE2-CG2 4.04Å; C42-T95 HydrophobicContact CB-CG2 4.28Å; R43-T95 WeakPolarHBondContact CA-OG1 3.29Å; R43-T95 HydrophobicContact CB-CG2 3.69Å; R43-T95 HydrophobicContact CG-CG2 4.28Å; S46-T95 WeakPolarHBondContact OG-CA 3.29Å; S46-T95 PolarHBondContact OG-N 3.32Å; V91-T95 VanDerWaalsContact O-CB 3.3Å; V91-T95 WeakPolarHBondContact O-CB 3.32Å; V91-T95 PolarHBondContact O-N 3.06Å; V91-T95 PolarHBondContact O-OG1 3.44Å; Q92-T95 WeakPolarHBondContact O-CA 3.29Å; Q92-T95 VanDerWaalsContact O-CB 3.32Å; Q92-T95 WeakPolarHBondContact O-CB 3.48Å; Q92-T95 PolarHBondContact O-N 2.98Å; Q92-T95 VanDerWaalsContact O-N 3.1Å; Q93-T95 VanDerWaalsContact C-N 3.29Å; Q93-T95 PolarHBondContact O-N 3.17Å; T95-A98 PolarHBondContact O-N 3.46Å; T95-Y99 WeakPolarHBondContact O-CB 3.45Å; T95-Y99 PolarHBondContact O-N 3.01Å
96	E	84.8	Confident	81.6	Confident	63 Å²	63	62.3 Å²	62.3	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-46.6	178	-73.9	172.9	-170.3	0	0	110.8	Y39 Q92 Q93 A98 Y99 E100	Y39-E96 HydrophobicContact CE2-CG 4.46Å; Q92-E96 PolarHBondContact NE2-OE1 3.46Å; Q92-E96 WeakPolarHBondContact O-CG 3.37Å; Q92-E96 PolarHBondContact O-N 2.85Å; Q93-E96 PolarHBondContact O-N 3.46Å; E96-A98 PolarHBondContact O-N 3.21Å; E96-Y99 PolarHBondContact O-N 3.46Å; E96-E100 WeakPolarHBondContact O-CG 3.39Å; E96-E100 PolarHBondContact O-N 3.3Å
97	A	84.6	Confident	80.6	Confident	59 Å²	59	65.6 Å²	65.6	49%	0.488	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-43	176.7	0	0	0	0	0	112.7	Q93 Y99 H101	Q93-A97 WeakPolarHBondContact O-CB 3.36Å; Q93-A97 PolarHBondContact O-N 2.97Å; A97-Y99 VanDerWaalsContact C-N 3.33Å; A97-H101 WeakPolarHBondContact O-CB 3.33Å; A97-H101 PolarHBondContact O-N 3.41Å
98	A	80.6	Confident	79.2	Confident	36 Å²	36	72 Å²	72	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-37.2	176.1	0	0	0	0	0	112	C42 L94 T95 E96 L102	C42-A98 HydrophobicContact CB-CB 4.25Å; L94-A98 WeakPolarHBondContact O-CB 3.5Å; L94-A98 PolarHBondContact O-N 3.32Å; T95-A98 PolarHBondContact O-N 3.46Å; E96-A98 PolarHBondContact O-N 3.21Å; A98-L102 WeakPolarHBondContact O-CB 3.23Å; A98-L102 PolarHBondContact O-N 3.29Å
99	Y	80.6	Confident	77.6	Confident	19 Å²	19	77 Å²	77	8%	0.075	39%	0.387	C	S	.	.	H	α-helix	trans	-70.4	-42.5	177.6	-180	-112	0	0	0	112.1	Q35 F38 Y39 T95 E96 A97 H101 L102 L103	Q35-Y99 WeakPolarHBondContact CB-OH 3.37Å; F38-Y99 HydrophobicContact CB-CD2 4.35Å; F38-Y99 HydrophobicContact CB-CE2 3.86Å; Y39-Y99 AromaticContact CD2-CD1 3.78Å; Y39-Y99 HydrophobicContact CD2-CD1 3.78Å; Y39-Y99 HydrophobicContact CD2-CD2 4.06Å; Y39-Y99 HydrophobicContact CD2-CE1 4.16Å; Y39-Y99 HydrophobicContact CD2-CE2 4.43Å; Y39-Y99 AromaticContact CD2-CG 3.72Å; Y39-Y99 HydrophobicContact CD2-CG 3.72Å; Y39-Y99 HydrophobicContact CE2-CD1 4.32Å; Y39-Y99 HydrophobicContact CE2-CG 4.42Å; T95-Y99 WeakPolarHBondContact O-CB 3.45Å; T95-Y99 PolarHBondContact O-N 3.01Å; E96-Y99 PolarHBondContact O-N 3.46Å; A97-Y99 VanDerWaalsContact C-N 3.33Å; Y99-H101 VanDerWaalsContact C-N 3.34Å; Y99-L102 PolarHBondContact O-N 3.42Å; Y99-L103 HydrophobicContact CD1-CD1 3.89Å; Y99-L103 HydrophobicContact CE1-CD1 3.4Å; Y99-L103 HydrophobicContact CE1-CG 4.17Å; Y99-L103 HydrophobicContact CE2-CD1 4.35Å; Y99-L103 HydrophobicContact CE2-CG 4.25Å; Y99-L103 WeakPolarHBondContact O-CB 3.49Å; Y99-L103 WeakPolarHBondContact O-CG 3.47Å; Y99-L103 PolarHBondContact O-N 3.16Å
100	E	84.1	Confident	75.6	Confident	114 Å²	114	76.7 Å²	76.7	53%	0.533	39%	0.389	S	S	.	.	H	α-helix	trans	-63	-40.2	173.1	-75.9	-171.8	178.2	0	0	112.1	E96 L103 K104	E96-E100 WeakPolarHBondContact O-CG 3.39Å; E96-E100 PolarHBondContact O-N 3.3Å; E100-L103 PolarHBondContact O-N 2.93Å; E100-K104 WeakPolarHBondContact O-CB 3.36Å; E100-K104 WeakPolarHBondContact O-CG 3.14Å; E100-K104 PolarHBondContact O-N 2.75Å
101	H	79	Confident	73	Confident	112 Å²	112	78.3 Å²	78.3	52%	0.519	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-43.5	174.4	-173.7	-78.4	0	0	0	111.3	A97 Y99 K104 Q105	A97-H101 WeakPolarHBondContact O-CB 3.33Å; A97-H101 PolarHBondContact O-N 3.41Å; Y99-H101 VanDerWaalsContact C-N 3.34Å; H101-K104 PolarHBondContact O-N 3.22Å; H101-Q105 PolarHBondContact CE1-NE2 3.2Å; H101-Q105 PolarHBondContact CE1-OE1 3.02Å; H101-Q105 PolarHBondContact ND1-OE1 3.08Å; H101-Q105 WeakPolarHBondContact O-CG 3.32Å; H101-Q105 PolarHBondContact O-N 3.29Å
102	L	79	Confident	70.6	Confident	34 Å²	34	82.6 Å²	82.6	18%	0.178	42%	0.424	C	S	.	.	H	α-helix	trans	-62.9	-41.7	176	-177.7	66.1	0	0	0	111.4	F38 C42 A98 Y99 Q105 L106	F38-L102 HydrophobicContact CB-CD2 4.1Å; F38-L102 HydrophobicContact CD1-CD2 4Å; F38-L102 HydrophobicContact CG-CD2 4.39Å; C42-L102 VanDerWaalsContact SG-CD2 3.56Å; A98-L102 WeakPolarHBondContact O-CB 3.23Å; A98-L102 PolarHBondContact O-N 3.29Å; Y99-L102 PolarHBondContact O-N 3.42Å; L102-Q105 PolarHBondContact O-N 3.47Å; L102-L106 HydrophobicContact CG-CD1 4.09Å; L102-L106 WeakPolarHBondContact O-CB 3.37Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 2.9Å
103	L	77.2	Confident	68.4	Low	49 Å²	49	85.2 Å²	85.2	26%	0.257	45%	0.447	S	S	.	.	H	α-helix	trans	-62.7	-44.3	174.4	-77.4	173.7	0	0	0	111.4	Y99 E100 Q105 L106 E107	Y99-L103 HydrophobicContact CD1-CD1 3.89Å; Y99-L103 HydrophobicContact CE1-CD1 3.4Å; Y99-L103 HydrophobicContact CE1-CG 4.17Å; Y99-L103 HydrophobicContact CE2-CD1 4.35Å; Y99-L103 HydrophobicContact CE2-CG 4.25Å; Y99-L103 WeakPolarHBondContact O-CB 3.49Å; Y99-L103 WeakPolarHBondContact O-CG 3.47Å; Y99-L103 PolarHBondContact O-N 3.16Å; E100-L103 PolarHBondContact O-N 2.93Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 3.38Å; L103-L106 CarbonylContact O-C 3.57Å; L103-L106 PolarHBondContact O-N 3.37Å; L103-E107 WeakPolarHBondContact O-CB 3.43Å; L103-E107 VanDerWaalsContact O-CG 3.27Å; L103-E107 WeakPolarHBondContact O-CG 3.39Å; L103-E107 PolarHBondContact O-N 3.47Å
104	K	77.2	Confident	65.9	Low	118 Å²	118	85.2 Å²	85.2	51%	0.513	45%	0.445	S	S	.	.	H	α-helix	trans	-62.9	-36.8	175	-76.3	174.4	-177.8	167.5	0	112.5	E100 H101 E107 Q108	E100-K104 WeakPolarHBondContact O-CB 3.36Å; E100-K104 WeakPolarHBondContact O-CG 3.14Å; E100-K104 PolarHBondContact O-N 2.75Å; H101-K104 PolarHBondContact O-N 3.22Å; K104-E107 PolarHBondContact O-N 2.65Å; K104-Q108 WeakPolarHBondContact O-CB 3.42Å; K104-Q108 WeakPolarHBondContact O-CG 3.3Å; K104-Q108 PolarHBondContact O-N 3.3Å
105	Q	71.6	Confident	63.5	Low	82 Å²	82	90.5 Å²	90.5	38%	0.383	47%	0.468	S	S	.	.	H	α-helix	trans	-66.6	-43.9	172.8	-76	-176	-56.9	0	0	111.4	H101 L102 L103 E107 Q108 E109	H101-Q105 PolarHBondContact CE1-NE2 3.2Å; H101-Q105 PolarHBondContact CE1-OE1 3.02Å; H101-Q105 PolarHBondContact ND1-OE1 3.08Å; H101-Q105 WeakPolarHBondContact O-CG 3.32Å; H101-Q105 PolarHBondContact O-N 3.29Å; L102-Q105 PolarHBondContact O-N 3.47Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 3.38Å; Q105-E107 VanDerWaalsContact C-N 3.27Å; Q105-E107 PolarHBondContact O-N 3.42Å; Q105-Q108 PolarHBondContact O-N 3.06Å; Q105-E109 WeakPolarHBondContact O-CB 3.49Å; Q105-E109 VanDerWaalsContact O-CG 3.32Å; Q105-E109 WeakPolarHBondContact O-CG 3.27Å; Q105-E109 PolarHBondContact O-N 3.37Å
106	L	70.2	Confident	61.1	Low	58 Å²	58	100.5 Å²	100.5	30%	0.304	51%	0.505	S	S	.	.	H	α-helix	trans	-65.3	-30.9	175.2	-70.4	170	0	0	0	112.1	F38 L102 L103 A110	F38-L106 HydrophobicContact CE1-CD1 4.46Å; F38-L106 HydrophobicContact CZ-CD1 4.43Å; L102-L106 HydrophobicContact CG-CD1 4.09Å; L102-L106 WeakPolarHBondContact O-CB 3.37Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 2.9Å; L103-L106 CarbonylContact O-C 3.57Å; L103-L106 PolarHBondContact O-N 3.37Å; L106-A110 WeakPolarHBondContact O-CA 3.34Å; L106-A110 WeakPolarHBondContact O-CB 3.45Å; L106-A110 PolarHBondContact O-N 3Å
107	E	64.9	Low	58.5	Low	132 Å²	132	106.2 Å²	106.2	62%	0.617	53%	0.529	S	S	*	.	H	α-helix	trans	-78	-27.8	173.4	-74.9	172.2	175.9	0	0	112.7	L103 K104 Q105 A110	L103-E107 WeakPolarHBondContact O-CB 3.43Å; L103-E107 VanDerWaalsContact O-CG 3.27Å; L103-E107 WeakPolarHBondContact O-CG 3.39Å; L103-E107 PolarHBondContact O-N 3.47Å; K104-E107 PolarHBondContact O-N 2.65Å; Q105-E107 VanDerWaalsContact C-N 3.27Å; Q105-E107 PolarHBondContact O-N 3.42Å; E107-A110 CarbonylContact O-C 3.58Å
108	Q	58.4	Low	56.3	Low	150 Å²	150	107.1 Å²	107.1	70%	0.701	54%	0.537	S	S	*	.	H	α-helix	trans	-79.6	-33.7	172.2	-75.8	173.8	3	0	0	112	K104 Q105	K104-Q108 WeakPolarHBondContact O-CB 3.42Å; K104-Q108 WeakPolarHBondContact O-CG 3.3Å; K104-Q108 PolarHBondContact O-N 3.3Å; Q105-Q108 PolarHBondContact O-N 3.06Å
109	E	49.7	Very low	54.2	Low	156 Å²	156	114.1 Å²	114.1	73%	0.729	56%	0.563	S	S	*	*	H	α-helix	trans	-74.5	-31.9	169.8	-72.7	174.9	-175.5	0	0	111.2	Q105 E111	Q105-E109 WeakPolarHBondContact O-CB 3.49Å; Q105-E109 VanDerWaalsContact O-CG 3.32Å; Q105-E109 WeakPolarHBondContact O-CG 3.27Å; Q105-E109 PolarHBondContact O-N 3.37Å; E109-E111 PolarHBondContact O-N 3.47Å
110	A	40.3	Very low	52.6	Low	61 Å²	61	119 Å²	119	50%	0.504	59%	0.594	S	S	.	*			trans	-84.2	63	163.1	0	0	0	0	0	110	L106 E107	L106-A110 WeakPolarHBondContact O-CA 3.34Å; L106-A110 WeakPolarHBondContact O-CB 3.45Å; L106-A110 PolarHBondContact O-N 3Å; E107-A110 CarbonylContact O-C 3.58Å
111	E	32.6	Very low	51.3	Low	115 Å²	115	115.4 Å²	115.4	54%	0.537	58%	0.584	S	S	.	*			trans	-47.1	136	148.6	-90.6	-153.6	157.3	0	0	106.3	E109 K114	E109-E111 PolarHBondContact O-N 3.47Å; E111-K114 VanDerWaalsContact CD-NZ 3.28Å; E111-K114 IonicContact OE1-NZ 3.49Å; E111-K114 PolarHBondContact OE1-NZ 3.11Å; E111-K114 IonicContact OE2-NZ 3.9Å; E111-K114 PolarHBondContact OE2-NZ 3.38Å
112	P	33.7	Very low	50.9	Low	97 Å²	97	115 Å²	115	63%	0.63	59%	0.586	S	S	*	*			trans	-51.6	151.5	168.1	26.8	-32.4	0	0	0	106	K114	P112-K114 PolarHBondContact O-N 3.47Å
113	P	35.3	Very low	51.2	Low	123 Å²	123	115 Å²	115	80%	0.799	59%	0.586	S	S	*	*			trans	-52.1	108.6	163.8	24.2	-29.3	0	0	0	103.9	E115	P113-E115 PolarHBondContact O-N 3.14Å; P113-E115 VanDerWaalsContact O-N 3.09Å
114	K	32.3	Very low	51.3	Low	132 Å²	132	116.3 Å²	116.3	57%	0.574	60%	0.599	S	S	*	*			trans	-45.5	131	149.4	-81.4	174.8	179	122.6	0	100.5	E111 P112 R116	E111-K114 VanDerWaalsContact CD-NZ 3.28Å; E111-K114 IonicContact OE1-NZ 3.49Å; E111-K114 PolarHBondContact OE1-NZ 3.11Å; E111-K114 IonicContact OE2-NZ 3.9Å; E111-K114 PolarHBondContact OE2-NZ 3.38Å; P112-K114 PolarHBondContact O-N 3.47Å; K114-R116 PolarHBondContact O-N 3.33Å
115	E	32.7	Very low	51.6	Low	189 Å²	189	114.3 Å²	114.3	88%	0.883	61%	0.605	S	S	*	*			trans	-56.3	68.7	144.8	-66.4	178.1	163.2	0	0	106.5	P113 K117	P113-E115 PolarHBondContact O-N 3.14Å; P113-E115 VanDerWaalsContact O-N 3.09Å; E115-K117 PolarHBondContact O-N 2.95Å
116	R	34	Very low	52.4	Low	212 Å²	212	114.3 Å²	114.3	80%	0.8	60%	0.601	S	S	*	*				-48.2	90.1	119.8	-77.1	-173.1	-180	-171.1	0.7	101.8	K114 A118	K114-R116 PolarHBondContact O-N 3.33Å; R116-A118 PolarHBondContact O-N 3.1Å
117	K	31.4	Very low	53.3	Low	182 Å²	182	113.2 Å²	113.2	79%	0.791	60%	0.596	S	S	*	*				-27.7	110.1	128	-74.7	-179.8	176.1	179.3	0	103	E115 E119	E115-K117 PolarHBondContact O-N 2.95Å; K117-E119 PolarHBondContact O-N 3.21Å
118	A	36.9	Very low	54.4	Low	78 Å²	78	108.7 Å²	108.7	65%	0.645	58%	0.577	S	S	*	*			trans	-49.1	102.4	160.4	0	0	0	0	0	101.8	R116 V120	R116-A118 PolarHBondContact O-N 3.1Å; A118-V120 PolarHBondContact O-N 2.82Å
119	E	37.3	Very low	55.7	Low	183 Å²	183	107.8 Å²	107.8	86%	0.855	58%	0.577	S	S	*	*			trans	-50.8	100.3	140.4	-80.8	-173.6	161.9	0	0	99.7	K117 A121	K117-E119 PolarHBondContact O-N 3.21Å; E119-A121 PolarHBondContact O-N 3.42Å
120	V	47.1	Very low	57.6	Low	121 Å²	121	101.4 Å²	101.4	73%	0.733	55%	0.548	S	S	*	.			trans	-55.6	97.2	175.6	174.1	0	0	0	0	100.5	A118 D122	A118-V120 PolarHBondContact O-N 2.82Å; V120-D122 PolarHBondContact O-N 3.03Å
121	A	56.4	Low	59.8	Low	39 Å²	39	102.9 Å²	102.9	32%	0.322	56%	0.555	S	S	.	*			trans	-53.8	117.2	178	0	0	0	0	0	102.5	E119 I123 V159	E119-A121 PolarHBondContact O-N 3.42Å; A121-I123 WeakPolarHBondContact O-CG2 3.48Å; A121-I123 PolarHBondContact O-N 2.92Å; A121-V159 HydrophobicContact CB-CB 4.26Å; A121-V159 HydrophobicContact CB-CG1 3.71Å; A121-V159 HydrophobicContact CB-CG2 3.53Å
122	D	70.9	Confident	62.2	Low	104 Å²	104	106.5 Å²	106.5	56%	0.556	57%	0.572	S	S	*	*			trans	-73.2	79.7	-165.9	-176	10.2	0	0	0	108.4	V120 S124	V120-D122 PolarHBondContact O-N 3.03Å; D122-S124 PolarHBondContact O-N 3.41Å; D122-S124 WeakPolarHBondContact OD1-CB 3.48Å; D122-S124 PolarHBondContact OD1-N 3.33Å; D122-S124 PolarHBondContact OD1-OG 3.48Å
123	I	85	Confident	64.8	Low	35 Å²	35	104 Å²	104	18%	0.179	55%	0.554	C	S	.	*	G	3₁₀ helix	trans	-67.6	-12.7	178.4	60.4	168	0	0	0	110.6	A121 A125 W126 I127 V159 W163 A166	A121-I123 WeakPolarHBondContact O-CG2 3.48Å; A121-I123 PolarHBondContact O-N 2.92Å; I123-A125 PolarHBondContact O-N 3.15Å; I123-W126 HydrophobicContact CB-CE3 4.4Å; I123-W126 HydrophobicContact CG2-CE3 4.23Å; I123-W126 HydrophobicContact CG2-CZ3 4.18Å; I123-W126 PolarHBondContact O-N 3Å; I123-I127 WeakPolarHBondContact O-CG1 3.46Å; I123-I127 PolarHBondContact O-N 2.95Å; I123-V159 HydrophobicContact CG2-CG1 4.25Å; I123-W163 HydrophobicContact CB-CB 4.19Å; I123-W163 HydrophobicContact CG2-CB 3.92Å; I123-A166 HydrophobicContact CD1-CB 3.92Å
124	S	79.1	Confident	67.4	Low	76 Å²	76	100.5 Å²	100.5	53%	0.531	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-61.1	-31.1	-179.2	80.4	0	0	0	0	111.6	D122 W126 I127	D122-S124 PolarHBondContact O-N 3.41Å; D122-S124 WeakPolarHBondContact OD1-CB 3.48Å; D122-S124 PolarHBondContact OD1-N 3.33Å; D122-S124 PolarHBondContact OD1-OG 3.48Å; S124-W126 PolarHBondContact O-N 3.42Å; S124-I127 PolarHBondContact O-N 2.96Å
125	A	83.2	Confident	70.1	Confident	76 Å²	76	99 Å²	99	63%	0.628	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-61.5	-22.7	174.2	0	0	0	0	0	113.5	I123	I123-A125 PolarHBondContact O-N 3.15Å
126	W	87.9	Confident	72.8	Confident	81 Å²	81	96.1 Å²	96.1	31%	0.307	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-108.2	1.9	179.8	-51.6	-38.5	0	0	0	113.4	I123 S124 V159 W163 H205	I123-W126 HydrophobicContact CB-CE3 4.4Å; I123-W126 HydrophobicContact CG2-CE3 4.23Å; I123-W126 HydrophobicContact CG2-CZ3 4.18Å; I123-W126 PolarHBondContact O-N 3Å; S124-W126 PolarHBondContact O-N 3.42Å; W126-V159 HydrophobicContact CH2-CG1 4.12Å; W126-V159 HydrophobicContact CZ3-CG1 3.71Å; W126-W163 HydrophobicContact CB-CG 4.42Å; W126-W163 HydrophobicContact CE3-CB 4.38Å; W126-W163 HydrophobicContact CE3-CG 4.25Å; W126-W163 PolarHBondContact O-NE1 3.45Å; W126-H205 AromaticContact CD2-CD2 3.67Å; W126-H205 AromaticContact CD2-NE2 3.55Å; W126-H205 AromaticContact CE2-NE2 3.76Å; W126-H205 AromaticContact CE3-CD2 3.97Å; W126-H205 AromaticContact CE3-NE2 3.56Å; W126-H205 AromaticContact CG-CD2 3.78Å; W126-H205 AromaticContact CH2-NE2 3.98Å; W126-H205 AromaticContact CZ2-NE2 3.98Å; W126-H205 AromaticContact CZ3-NE2 3.78Å
127	I	89.1	Confident	75.4	Confident	36 Å²	36	90 Å²	90	19%	0.185	50%	0.497	C	S	.	.	S	Bend	trans	-90.3	118.2	173	-65	-62.2	0	0	0	107.9	I123 S124 A166 L167 K170	I123-I127 WeakPolarHBondContact O-CG1 3.46Å; I123-I127 PolarHBondContact O-N 2.95Å; S124-I127 PolarHBondContact O-N 2.96Å; I127-A166 HydrophobicContact CD1-CB 4.11Å; I127-L167 HydrophobicContact CD1-CB 3.95Å; I127-L167 HydrophobicContact CD1-CD1 4.4Å; I127-K170 HydrophobicContact CG2-CD 3.5Å; I127-K170 VanDerWaalsContact CG2-NZ 3.27Å
128	P	88.2	Confident	78.3	Confident	36 Å²	36	81.5 Å²	81.5	23%	0.234	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-64.2	147	-179.1	26.6	-33.5	0	0	0	111.2	I130 L167 K170 I197 A201	P128-I130 HydrophobicContact CG-CG2 4.4Å; P128-I130 PolarHBondContact O-N 3.43Å; P128-L167 HydrophobicContact CG-CD1 3.97Å; P128-K170 PolarHBondContact O-NZ 2.61Å; P128-I197 HydrophobicContact CB-CG2 4.31Å; P128-I197 HydrophobicContact CG-CG2 3.74Å; P128-A201 HydrophobicContact CG-CB 4.25Å
129	D	87.4	Confident	80.9	Confident	131 Å²	131	84.6 Å²	84.6	70%	0.701	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-72.5	122.6	165.3	-174.8	13.1	0	0	0	109.1	S131	D129-S131 VanDerWaalsContact CG-OG 3.32Å; D129-S131 WeakPolarHBondContact OD1-CB 2.89Å; D129-S131 PolarHBondContact OD1-N 2.8Å; D129-S131 PolarHBondContact OD1-OG 3.4Å; D129-S131 PolarHBondContact OD2-OG 2.83Å
130	I	89.5	Confident	83.3	Confident	22 Å²	22	80.7 Å²	80.7	11%	0.113	44%	0.441	C	S	.	.			trans	-118.5	16.1	179.5	66.5	174.7	0	0	0	111.2	P128 Q132 V133 L138 K170 L171 I197	P128-I130 HydrophobicContact CG-CG2 4.4Å; P128-I130 PolarHBondContact O-N 3.43Å; I130-Q132 PolarHBondContact O-N 2.8Å; I130-V133 HydrophobicContact CB-CB 4.35Å; I130-V133 HydrophobicContact CB-CG2 4.34Å; I130-V133 PolarHBondContact O-N 3.12Å; I130-L138 HydrophobicContact CD1-CD1 3.92Å; I130-K170 HydrophobicContact CD1-CD 4.06Å; I130-K170 VanDerWaalsContact CD1-CE 3.41Å; I130-K170 HydrophobicContact CD1-CG 3.66Å; I130-L171 HydrophobicContact CG2-CD2 4.37Å; I130-I197 HydrophobicContact CG2-CD1 4.32Å; I130-I197 HydrophobicContact CG2-CG2 4.2Å
131	S	85.8	Confident	85.3	Confident	92 Å²	92	77.3 Å²	77.3	64%	0.643	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-27.6	-178.6	58.2	0	0	0	0	113.9	D129	D129-S131 VanDerWaalsContact CG-OG 3.32Å; D129-S131 WeakPolarHBondContact OD1-CB 2.89Å; D129-S131 PolarHBondContact OD1-N 2.8Å; D129-S131 PolarHBondContact OD1-OG 3.4Å; D129-S131 PolarHBondContact OD2-OG 2.83Å
132	Q	83.4	Confident	87.1	Confident	192 Å²	192	80 Å²	80	90%	0.897	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.9	178.5	-59.2	-171.2	-9.6	0	0	114.1	I130	I130-Q132 PolarHBondContact O-N 2.8Å
133	V	87.3	Confident	88.2	Confident	43 Å²	43	76.1 Å²	76.1	26%	0.261	43%	0.429	S	S	.	.	S	Bend	trans	-99.4	124.4	-178.7	-173.1	0	0	0	0	108.5	I130 L138 V193 I197	I130-V133 HydrophobicContact CB-CB 4.35Å; I130-V133 HydrophobicContact CB-CG2 4.34Å; I130-V133 PolarHBondContact O-N 3.12Å; V133-L138 HydrophobicContact CG1-CD1 4.38Å; V133-L138 HydrophobicContact CG1-CD2 3.87Å; V133-L138 HydrophobicContact CG1-CG 3.91Å; V133-V193 HydrophobicContact CG1-CG1 3.7Å; V133-I197 HydrophobicContact CG1-CD1 4.32Å; V133-I197 HydrophobicContact CG2-CD1 3.98Å
134	S	89.5	Confident	88.8	Confident	51 Å²	51	75.9 Å²	75.9	36%	0.357	43%	0.426	S	S	.	.			trans	-67.6	140	176.7	66.1	0	0	0	0	111	E136 N137 L138	S134-E136 PolarHBondContact O-N 3.43Å; S134-N137 PolarHBondContact O-N 2.77Å; S134-N137 WeakPolarHBondContact OG-CB 3.32Å; S134-N137 PolarHBondContact OG-N 3.25Å; S134-N137 PolarHBondContact OG-ND2 2.86Å; S134-N137 VanDerWaalsContact OG-ND2 3.12Å; S134-L138 PolarHBondContact O-N 3.37Å
135	E	89.4	Confident	89.7	Confident	99 Å²	99	72.3 Å²	72.3	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-53	-34.7	171.1	-95.9	-87.3	148.6	0	0	111.8	N137 L138 R139 H172	E135-N137 PolarHBondContact O-N 2.73Å; E135-L138 PolarHBondContact O-N 3.34Å; E135-R139 WeakPolarHBondContact O-CG 3.35Å; E135-R139 PolarHBondContact O-N 3.06Å; E135-R139 IonicContact OE2-CZ 3.3Å; E135-R139 VanDerWaalsContact OE2-CZ 3.3Å; E135-R139 IonicContact OE2-NE 2.73Å; E135-R139 PolarHBondContact OE2-NE 2.49Å; E135-R139 IonicContact OE2-NH2 2.97Å; E135-R139 PolarHBondContact OE2-NH2 2.84Å; E135-H172 IonicContact OE1-CE1 2.96Å; E135-H172 IonicContact OE1-NE2 3.35Å; E135-H172 PolarHBondContact OE1-NE2 2.94Å; E135-H172 IonicContact OE2-CE1 3.84Å; E135-H172 IonicContact OE2-NE2 3.45Å; E135-H172 PolarHBondContact OE2-NE2 3.48Å
136	E	89.1	Confident	90.4	Very high	130 Å²	130	68.7 Å²	68.7	61%	0.607	37%	0.372	S	S	*	.	H	α-helix	trans	-60.8	-43.1	176.5	-171.9	173.7	-171.9	0	0	112.1	S134 L138 R139 N140	S134-E136 PolarHBondContact O-N 3.43Å; E136-L138 VanDerWaalsContact C-N 3.26Å; E136-L138 PolarHBondContact O-N 3.42Å; E136-R139 PolarHBondContact O-N 3.23Å; E136-N140 HydrophobicContact CG-CB 4.36Å; E136-N140 WeakPolarHBondContact O-CA 3.38Å; E136-N140 WeakPolarHBondContact O-CB 3.44Å; E136-N140 PolarHBondContact O-N 2.91Å
137	N	90.3	Very high	90.9	Very high	82 Å²	82	66.7 Å²	66.7	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-70.1	-23.5	179.4	-71.7	-14.4	0	0	0	113.1	S134 E135 T191 V193	S134-N137 PolarHBondContact O-N 2.77Å; S134-N137 WeakPolarHBondContact OG-CB 3.32Å; S134-N137 PolarHBondContact OG-N 3.25Å; S134-N137 PolarHBondContact OG-ND2 2.86Å; S134-N137 VanDerWaalsContact OG-ND2 3.12Å; E135-N137 PolarHBondContact O-N 2.73Å; N137-T191 PolarHBondContact O-OG1 3.32Å; N137-V193 HydrophobicContact CB-CG2 4.42Å
138	L	91.7	Very high	91.3	Very high	4 Å²	4	65 Å²	65	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-78.8	-29.1	176.1	-65	173.6	0	0	0	112.1	I130 V133 S134 E135 E136 L171 T191 V193 A194 I197	I130-L138 HydrophobicContact CD1-CD1 3.92Å; V133-L138 HydrophobicContact CG1-CD1 4.38Å; V133-L138 HydrophobicContact CG1-CD2 3.87Å; V133-L138 HydrophobicContact CG1-CG 3.91Å; S134-L138 PolarHBondContact O-N 3.37Å; E135-L138 PolarHBondContact O-N 3.34Å; E136-L138 VanDerWaalsContact C-N 3.26Å; E136-L138 PolarHBondContact O-N 3.42Å; L138-L171 HydrophobicContact CD2-CD2 4.1Å; L138-T191 VanDerWaalsContact O-CG2 3.28Å; L138-T191 WeakPolarHBondContact O-CG2 3.11Å; L138-T191 PolarHBondContact O-OG1 3.12Å; L138-V193 HydrophobicContact CD2-CG1 4.21Å; L138-A194 HydrophobicContact CD2-CB 4.03Å; L138-I197 HydrophobicContact CD2-CD1 4.11Å
139	R	91.1	Very high	91.8	Very high	143 Å²	143	65 Å²	65	54%	0.54	35%	0.354	S	S	.	.	H	α-helix	trans	-98.8	-37.6	-177.6	-65.3	178.9	-175.7	-105.3	5	113.5	E135 E136 H172	E135-R139 WeakPolarHBondContact O-CG 3.35Å; E135-R139 PolarHBondContact O-N 3.06Å; E135-R139 IonicContact OE2-CZ 3.3Å; E135-R139 VanDerWaalsContact OE2-CZ 3.3Å; E135-R139 IonicContact OE2-NE 2.73Å; E135-R139 PolarHBondContact OE2-NE 2.49Å; E135-R139 IonicContact OE2-NH2 2.97Å; E135-R139 PolarHBondContact OE2-NH2 2.84Å; E136-R139 PolarHBondContact O-N 3.23Å; R139-H172 HydrophobicContact CG-CB 4.37Å; R139-H172 PolarHBondContact NH2-CE1 3.05Å; R139-H172 PolarHBondContact NH2-NE2 2.96Å
140	N	88.4	Confident	92.3	Very high	102 Å²	102	60.5 Å²	60.5	55%	0.545	33%	0.328	S	S	.	.	S	Bend	trans	-119.5	120.1	-170.1	-57.3	-35.5	0	0	0	109.3	E136	E136-N140 HydrophobicContact CG-CB 4.36Å; E136-N140 WeakPolarHBondContact O-CA 3.38Å; E136-N140 WeakPolarHBondContact O-CB 3.44Å; E136-N140 PolarHBondContact O-N 2.91Å
141	G	88.7	Confident	92.6	Very high	49 Å²	49	60.7 Å²	60.7	51%	0.505	33%	0.328	S	S	.	.	S	Bend	trans	162.6	178	176.8	0	0	0	0	0	111.7	G143	G141-G143 PolarHBondContact O-N 2.89Å
142	P	93.8	Very high	93.1	Very high	97 Å²	97	57 Å²	57	63%	0.63	30%	0.302	S	S	*	.			trans	-54.6	127.2	170.1	-22.2	33.5	0	0	0	109.5	T191 H192	P142-T191 CarbonylContact O-C 2.75Å; P142-T191 WeakPolarHBondContact O-CA 3.06Å; P142-H192 PolarHBondContact O-CD2 3.15Å; P142-H192 PolarHBondContact O-N 2.91Å
143	G	94.9	Very high	93.7	Very high	21 Å²	21	53.4 Å²	53.4	22%	0.216	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	158.4	-178.4	0	0	0	0	0	112.3	G141 G190 H192 G220	G141-G143 PolarHBondContact O-N 2.89Å; G143-G190 CarbonylContact C-O 3.57Å; G143-G190 VanDerWaalsContact CA-O 3.28Å; G143-G190 WeakPolarHBondContact CA-O 3.47Å; G143-H192 PolarHBondContact O-NE2 3.19Å; G143-G220 CarbonylContact C-O 3.53Å; G143-G220 WeakPolarHBondContact CA-O 3.44Å; G143-G220 VanDerWaalsContact O-O 3.08Å
144	K	96.6	Very high	94	Very high	30 Å²	30	51.9 Å²	51.9	13%	0.13	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.2	178	-173	-173.6	-59.2	169.2	0	109	L146 G189 G190 T195 D196 T217 G220	K144-L146 HydrophobicContact CD-CD2 3.92Å; K144-L146 HydrophobicContact CG-CD2 4.28Å; K144-G189 WeakPolarHBondContact O-CA 3.37Å; K144-G190 PolarHBondContact N-O 2.69Å; K144-G190 PolarHBondContact O-N 2.95Å; K144-G190 VanDerWaalsContact O-N 3.11Å; K144-T195 HydrophobicContact CB-CG2 4.34Å; K144-D196 IonicContact NZ-OD1 2.93Å; K144-D196 PolarHBondContact NZ-OD1 3.31Å; K144-D196 IonicContact NZ-OD2 3.82Å; K144-T217 HydrophobicContact CD-CG2 3.85Å; K144-T217 HydrophobicContact CG-CG2 4.37Å; K144-G220 PolarHBondContact N-O 2.98Å; K144-G220 VanDerWaalsContact N-O 3.14Å
145	V	97.8	Very high	94.1	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.2	168.7	179.2	0	0	0	0	109.5	T187 V188 T217 S218 C224 F225	V145-T187 HydrophobicContact CG1-CG2 3.72Å; V145-V188 CarbonylContact C-O 3.18Å; V145-V188 WeakPolarHBondContact CA-O 3.49Å; V145-T217 WeakPolarHBondContact O-CA 3.48Å; V145-S218 PolarHBondContact N-O 3.47Å; V145-S218 PolarHBondContact O-N 3.13Å; V145-C224 HydrophobicContact CG2-CB 4.25Å; V145-F225 HydrophobicContact CG1-CE2 4.04Å; V145-F225 HydrophobicContact CG1-CZ 3.85Å; V145-F225 HydrophobicContact CG2-CE2 4.12Å
146	L	98.2	Very high	94.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.1	173.3	-55.1	-175.4	0	0	0	110.4	K144 T187 V188 T195 Y198 I199 K216 T217	K144-L146 HydrophobicContact CD-CD2 3.92Å; K144-L146 HydrophobicContact CG-CD2 4.28Å; L146-T187 CarbonylContact O-C 2.95Å; L146-T187 WeakPolarHBondContact O-CA 3.44Å; L146-T187 WeakPolarHBondContact O-CG2 3.31Å; L146-V188 HydrophobicContact CB-CG2 3.95Å; L146-V188 HydrophobicContact CD1-CG2 4.09Å; L146-V188 HydrophobicContact CG-CG2 4.3Å; L146-V188 PolarHBondContact N-O 2.88Å; L146-V188 PolarHBondContact O-N 3.45Å; L146-T195 HydrophobicContact CD1-CG2 4.07Å; L146-T195 HydrophobicContact CD2-CG2 4.38Å; L146-T195 HydrophobicContact CG-CG2 3.89Å; L146-Y198 HydrophobicContact CD1-CD1 3.7Å; L146-Y198 HydrophobicContact CD1-CE1 4.39Å; L146-I199 HydrophobicContact CD1-CD1 4.11Å; L146-I199 HydrophobicContact CD1-CG1 3.79Å; L146-I199 HydrophobicContact CD2-CD1 3.93Å; L146-K216 CarbonylContact C-O 3.31Å; L146-K216 WeakPolarHBondContact CA-O 3.18Å; L146-T217 HydrophobicContact CD2-CG2 3.8Å
147	L	97.9	Very high	94.6	Very high	39 Å²	39	50.8 Å²	50.8	20%	0.204	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.6	169.3	171.2	69.9	0	0	0	109.1	T187 K216	L147-T187 VanDerWaalsContact CD1-OG1 3.3Å; L147-T187 WeakPolarHBondContact CD1-OG1 3.09Å; L147-K216 HydrophobicContact CB-CB 4.2Å; L147-K216 HydrophobicContact CD2-CD 4.23Å; L147-K216 PolarHBondContact N-O 3.49Å; L147-K216 WeakPolarHBondContact O-CB 3.37Å; L147-K216 PolarHBondContact O-N 3.19Å
148	Y	98.5	Very high	94.9	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	159.1	-177.8	66.6	-80.8	0	0	0	111.4	I184 N185 G186 V188 Y198 M202 M210 F215	Y148-I184 HydrophobicContact CE2-CD1 4.23Å; Y148-I184 HydrophobicContact CE2-CG1 4.24Å; Y148-I184 HydrophobicContact CE2-CG2 4.4Å; Y148-N185 PolarHBondContact O-OD1 2.9Å; Y148-G186 PolarHBondContact N-O 3.45Å; Y148-G186 PolarHBondContact O-N 3.44Å; Y148-V188 HydrophobicContact CE1-CG2 4.43Å; Y148-Y198 AromaticContact CE1-CE1 3.87Å; Y148-Y198 HydrophobicContact CE1-CE1 3.87Å; Y148-Y198 VanDerWaalsContact CZ-OH 3.27Å; Y148-Y198 PolarHBondContact OH-OH 2.9Å; Y148-M202 HydrophobicContact CD2-CE 4.3Å; Y148-M202 HydrophobicContact CE2-CE 3.83Å; Y148-M210 HydrophobicContact CD2-CE 3.98Å; Y148-M210 HydrophobicContact CG-CE 4.44Å; Y148-F215 AromaticContact CD1-CD1 3.87Å; Y148-F215 HydrophobicContact CD1-CD1 3.87Å; Y148-F215 AromaticContact CD1-CE1 3.92Å; Y148-F215 HydrophobicContact CD1-CE1 3.92Å; Y148-F215 AromaticContact CD2-CE1 3.96Å; Y148-F215 HydrophobicContact CD2-CE1 3.96Å; Y148-F215 AromaticContact CG-CD1 3.77Å; Y148-F215 HydrophobicContact CG-CD1 3.77Å; Y148-F215 AromaticContact CG-CE1 3.63Å; Y148-F215 HydrophobicContact CG-CE1 3.63Å
149	Y	98.3	Very high	95	Very high	35 Å²	35	54 Å²	54	14%	0.137	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158	166.9	72.6	-83.3	0	0	0	109.1	Y151 I184 G329 I331 E334	Y149-Y151 AromaticContact CD2-CD2 3.71Å; Y149-Y151 HydrophobicContact CD2-CD2 3.71Å; Y149-Y151 AromaticContact CD2-CE2 3.74Å; Y149-Y151 HydrophobicContact CD2-CE2 3.74Å; Y149-Y151 AromaticContact CE2-CD2 3.75Å; Y149-Y151 HydrophobicContact CE2-CD2 3.75Å; Y149-Y151 AromaticContact CE2-CE2 3.82Å; Y149-Y151 HydrophobicContact CE2-CE2 3.82Å; Y149-I184 CarbonylContact C-O 3.52Å; Y149-I184 VanDerWaalsContact CA-O 3.24Å; Y149-I184 WeakPolarHBondContact CA-O 3.38Å; Y149-G329 VanDerWaalsContact CE1-O 3.29Å; Y149-G329 WeakPolarHBondContact CE1-O 3.38Å; Y149-I331 HydrophobicContact CD1-CB 3.74Å; Y149-I331 HydrophobicContact CD1-CG1 4.37Å; Y149-I331 HydrophobicContact CD2-CB 4.04Å; Y149-I331 HydrophobicContact CD2-CD1 4.48Å; Y149-I331 HydrophobicContact CD2-CG1 3.89Å; Y149-I331 HydrophobicContact CE1-CB 4.09Å; Y149-I331 HydrophobicContact CE2-CB 4.36Å; Y149-I331 HydrophobicContact CE2-CG1 4.49Å; Y149-I331 HydrophobicContact CG-CB 3.71Å; Y149-I331 HydrophobicContact CG-CD1 4.11Å; Y149-I331 HydrophobicContact CG-CG1 3.81Å; Y149-E334 HydrophobicContact CE2-CG 3.83Å; Y149-E334 PolarHBondContact OH-OE1 3.25Å
150	H	97.8	Very high	95.2	Very high	37 Å²	37	47.7 Å²	47.7	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	119.1	171.3	-169.1	73.5	0	0	0	109.7	G183 I184 F208 M210	H150-G183 VanDerWaalsContact O-CA 3.32Å; H150-G183 WeakPolarHBondContact O-CA 3.28Å; H150-I184 HydrophobicContact CB-CG2 4.13Å; H150-I184 PolarHBondContact N-O 2.9Å; H150-I184 PolarHBondContact O-N 2.99Å; H150-F208 HydrophobicContact CB-CD1 4.44Å; H150-F208 AromaticContact CD2-CD1 3.86Å; H150-M210 HydrophobicContact CB-CE 4.17Å; H150-M210 HydrophobicContact CB-CG 3.91Å; H150-M210 HydrophobicContact CB-SD 3.69Å
151	Y	96.8	Very high	95.7	Very high	25 Å²	25	43.8 Å²	43.8	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.8	172.5	-75.6	-86.5	0	0	0	109.8	Y149 E182 I236 V237 Y248 I331 E334 R335	Y149-Y151 AromaticContact CD2-CD2 3.71Å; Y149-Y151 HydrophobicContact CD2-CD2 3.71Å; Y149-Y151 AromaticContact CD2-CE2 3.74Å; Y149-Y151 HydrophobicContact CD2-CE2 3.74Å; Y149-Y151 AromaticContact CE2-CD2 3.75Å; Y149-Y151 HydrophobicContact CE2-CD2 3.75Å; Y149-Y151 AromaticContact CE2-CE2 3.82Å; Y149-Y151 HydrophobicContact CE2-CE2 3.82Å; Y151-E182 VanDerWaalsContact CA-O 3.31Å; Y151-E182 WeakPolarHBondContact CA-O 3.26Å; Y151-E182 HydrophobicContact CD1-CB 4.41Å; Y151-E182 HydrophobicContact CD1-CG 4.48Å; Y151-E182 WeakPolarHBondContact CD1-O 3.45Å; Y151-E182 HydrophobicContact CE1-CG 4.42Å; Y151-I236 HydrophobicContact CD1-CD1 3.75Å; Y151-I236 HydrophobicContact CD1-CG1 4.34Å; Y151-I236 HydrophobicContact CD2-CD1 4.25Å; Y151-I236 HydrophobicContact CE1-CD1 3.55Å; Y151-I236 HydrophobicContact CE1-CG1 3.73Å; Y151-I236 HydrophobicContact CE2-CD1 4.05Å; Y151-I236 HydrophobicContact CG-CD1 4.1Å; Y151-V237 VanDerWaalsContact OH-CG1 3.26Å; Y151-V237 WeakPolarHBondContact OH-CG1 3.43Å; Y151-Y248 VanDerWaalsContact CB-CE2 3.49Å; Y151-Y248 AromaticContact CD1-CD1 3.61Å; Y151-Y248 HydrophobicContact CD1-CD1 3.61Å; Y151-Y248 HydrophobicContact CD1-CD2 4.09Å; Y151-Y248 HydrophobicContact CD1-CE1 4.22Å; Y151-Y248 AromaticContact CD1-CG 3.54Å; Y151-Y248 HydrophobicContact CD1-CG 3.54Å; Y151-Y248 HydrophobicContact CE1-CD1 4.36Å; Y151-Y248 HydrophobicContact CE1-CG 4.23Å; Y151-Y248 HydrophobicContact CG-CD1 4.21Å; Y151-Y248 AromaticContact CG-CD2 3.87Å; Y151-Y248 HydrophobicContact CG-CD2 3.87Å; Y151-Y248 HydrophobicContact CG-CE2 4.33Å; Y151-Y248 AromaticContact CG-CG 3.81Å; Y151-Y248 HydrophobicContact CG-CG 3.81Å; Y151-I331 HydrophobicContact CE2-CG1 3.85Å; Y151-I331 PolarHBondContact OH-O 3.43Å; Y151-E334 HydrophobicContact CD2-CB 4.07Å; Y151-E334 HydrophobicContact CD2-CG 3.88Å; Y151-E334 HydrophobicContact CE2-CB 3.5Å; Y151-E334 VanDerWaalsContact CE2-CB 3.5Å; Y151-E334 HydrophobicContact CE2-CG 3.51Å; Y151-R335 HydrophobicContact CE1-CG 4.26Å; Y151-R335 VanDerWaalsContact OH-CG 3.23Å; Y151-R335 WeakPolarHBondContact OH-CG 3.46Å
152	C	95.6	Very high	96	Very high	16 Å²	16	43.7 Å²	43.7	11%	0.108	24%	0.243	C	C	.	.			trans	-153.8	153	176.4	61.1	0	0	0	0	108.5	L154 E182 G183	C152-L154 PolarHBondContact O-N 3.41Å; C152-L154 VanDerWaalsContact SG-CD2 3.56Å; C152-E182 PolarHBondContact N-O 3.45Å; C152-E182 VanDerWaalsContact N-O 3.1Å; C152-E182 CarbonylContact O-C 3.4Å; C152-E182 VanDerWaalsContact O-O 3.1Å; C152-G183 WeakPolarHBondContact O-CA 3.46Å; C152-G183 PolarHBondContact O-N 3.27Å; C152-G183 VanDerWaalsContact O-N 3.14Å
153	L	95.3	Very high	96.1	Very high	115 Å²	115	39.1 Å²	39.1	60%	0.602	21%	0.213	S	C	*	.			trans	-74.3	121.4	174.4	-64.9	178	0	0	0	108.8	A181	L153-A181 WeakPolarHBondContact CA-O 3.39Å
154	L	94.6	Very high	96.3	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.063	20%	0.203	C	C	.	.			trans	-104.3	122.7	174.9	-61	-173.6	0	0	0	109.3	C152 P157 I160 V179 A180 A181 G183 V207 F208	C152-L154 PolarHBondContact O-N 3.41Å; C152-L154 VanDerWaalsContact SG-CD2 3.56Å; L154-P157 HydrophobicContact CB-CG 4.36Å; L154-I160 HydrophobicContact CD1-CB 4.4Å; L154-I160 HydrophobicContact CD1-CG1 4.1Å; L154-I160 HydrophobicContact CD1-CG2 4.36Å; L154-I160 HydrophobicContact CD2-CG1 4.37Å; L154-V179 HydrophobicContact CD1-CG1 3.59Å; L154-A180 WeakPolarHBondContact CD1-O 3.22Å; L154-A181 PolarHBondContact N-O 2.97Å; L154-G183 WeakPolarHBondContact CD1-O 3.4Å; L154-V207 HydrophobicContact CD2-CG1 3.39Å; L154-F208 HydrophobicContact CD1-CZ 4.39Å; L154-F208 HydrophobicContact CD2-CE1 4.04Å; L154-F208 HydrophobicContact CD2-CZ 3.99Å
155	D	90.8	Very high	96.3	Very high	172 Å²	172	41.8 Å²	41.8	92%	0.92	22%	0.219	S	C	*	.	S	Bend	trans	-65.3	-44.1	177.9	-63.5	-35.5	0	0	0	111.5
156	D	93.3	Very high	96.3	Very high	66 Å²	66	43.2 Å²	43.2	35%	0.353	23%	0.231	S	C	.	.			trans	-133.3	95.9	176.7	-166.4	-25.7	0	0	0	111.6	H158 V159	D156-H158 PolarHBondContact O-N 3.49Å; D156-H158 WeakPolarHBondContact OD1-CA 3.4Å; D156-H158 VanDerWaalsContact OD1-CB 3.28Å; D156-H158 WeakPolarHBondContact OD1-CB 3.35Å; D156-H158 IonicContact OD1-CD2 2.76Å; D156-H158 PolarHBondContact OD1-N 3.27Å; D156-V159 HydrophobicContact CB-CB 4.27Å; D156-V159 HydrophobicContact CB-CG2 3.95Å; D156-V159 PolarHBondContact O-N 3.27Å; D156-V159 PolarHBondContact OD1-N 3.11Å
157	P	96.2	Very high	96.2	Very high	18 Å²	18	43.2 Å²	43.2	12%	0.117	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-26	174.6	-28.2	37.8	0	0	0	114.4	L154 C161 V179 A181 V232	L154-P157 HydrophobicContact CB-CG 4.36Å; P157-C161 VanDerWaalsContact O-CB 3.27Å; P157-C161 WeakPolarHBondContact O-CB 3.44Å; P157-C161 PolarHBondContact O-N 3.35Å; P157-V179 HydrophobicContact CB-CG1 3.94Å; P157-A181 HydrophobicContact CG-CB 4.29Å; P157-V232 HydrophobicContact CB-CG1 3.78Å; P157-V232 HydrophobicContact CB-CG2 4.22Å
158	H	95.6	Very high	96.2	Very high	126 Å²	126	41.4 Å²	41.4	58%	0.583	22%	0.221	S	C	*	.	H	α-helix	trans	-72.9	-35.6	-179.4	-68.5	-86.1	0	0	0	111.8	D156 C161 A162	D156-H158 PolarHBondContact O-N 3.49Å; D156-H158 WeakPolarHBondContact OD1-CA 3.4Å; D156-H158 VanDerWaalsContact OD1-CB 3.28Å; D156-H158 WeakPolarHBondContact OD1-CB 3.35Å; D156-H158 IonicContact OD1-CD2 2.76Å; D156-H158 PolarHBondContact OD1-N 3.27Å; H158-C161 WeakPolarHBondContact O-CB 3.34Å; H158-C161 PolarHBondContact O-N 3.42Å; H158-A162 WeakPolarHBondContact O-CB 3.31Å; H158-A162 PolarHBondContact O-N 2.96Å
159	V	94.4	Very high	96.1	Very high	29 Å²	29	46.3 Å²	46.3	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-46.6	174.1	172.2	0	0	0	0	110.7	A121 I123 W126 D156 C161 A162 W163	A121-V159 HydrophobicContact CB-CB 4.26Å; A121-V159 HydrophobicContact CB-CG1 3.71Å; A121-V159 HydrophobicContact CB-CG2 3.53Å; I123-V159 HydrophobicContact CG2-CG1 4.25Å; W126-V159 HydrophobicContact CH2-CG1 4.12Å; W126-V159 HydrophobicContact CZ3-CG1 3.71Å; D156-V159 HydrophobicContact CB-CB 4.27Å; D156-V159 HydrophobicContact CB-CG2 3.95Å; D156-V159 PolarHBondContact O-N 3.27Å; D156-V159 PolarHBondContact OD1-N 3.11Å; V159-C161 VanDerWaalsContact C-N 3.34Å; V159-C161 PolarHBondContact O-N 3.39Å; V159-A162 PolarHBondContact O-N 2.79Å; V159-W163 PolarHBondContact O-N 2.74Å
160	I	96.6	Very high	95.9	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.046	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-41.8	175.5	-61.6	-52.3	0	0	0	110.9	L154 A162 W163 Q164 V179 I184 F208	L154-I160 HydrophobicContact CD1-CB 4.4Å; L154-I160 HydrophobicContact CD1-CG1 4.1Å; L154-I160 HydrophobicContact CD1-CG2 4.36Å; L154-I160 HydrophobicContact CD2-CG1 4.37Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 3.43Å; I160-W163 HydrophobicContact CD1-CE3 4.35Å; I160-W163 HydrophobicContact CG2-CE3 4.31Å; I160-W163 PolarHBondContact O-N 2.88Å; I160-Q164 HydrophobicContact CG2-CG 4.18Å; I160-Q164 WeakPolarHBondContact O-CB 3.34Å; I160-Q164 WeakPolarHBondContact O-CG 3.45Å; I160-Q164 PolarHBondContact O-N 2.92Å; I160-V179 HydrophobicContact CB-CG1 3.94Å; I160-V179 HydrophobicContact CG2-CG1 3.75Å; I160-V179 HydrophobicContact CG2-CG2 4.12Å; I160-I184 HydrophobicContact CG2-CD1 4.35Å; I160-F208 HydrophobicContact CD1-CE2 4.07Å; I160-F208 HydrophobicContact CD1-CZ 4.34Å; I160-F208 HydrophobicContact CG1-CZ 4.38Å; I160-F208 HydrophobicContact CG2-CE2 4.17Å; I160-F208 HydrophobicContact CG2-CZ 3.84Å
161	C	97.3	Very high	95.8	Very high	20 Å²	20	46.4 Å²	46.4	14%	0.135	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-42.6	175.4	-177.3	0	0	0	0	112.2	P157 H158 V159 K165 V179 V232	P157-C161 VanDerWaalsContact O-CB 3.27Å; P157-C161 WeakPolarHBondContact O-CB 3.44Å; P157-C161 PolarHBondContact O-N 3.35Å; H158-C161 WeakPolarHBondContact O-CB 3.34Å; H158-C161 PolarHBondContact O-N 3.42Å; V159-C161 VanDerWaalsContact C-N 3.34Å; V159-C161 PolarHBondContact O-N 3.39Å; C161-K165 WeakPolarHBondContact O-CB 3.25Å; C161-K165 PolarHBondContact O-N 3.45Å; C161-V179 HydrophobicContact CB-CG2 4.3Å; C161-V232 HydrophobicContact CB-CG2 3.57Å
162	A	96.1	Very high	95.8	Very high	48 Å²	48	47.6 Å²	47.6	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-45.3	177.5	0	0	0	0	0	111.7	H158 V159 I160 K165 A166	H158-A162 WeakPolarHBondContact O-CB 3.31Å; H158-A162 PolarHBondContact O-N 2.96Å; V159-A162 PolarHBondContact O-N 2.79Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 3.43Å; A162-K165 PolarHBondContact O-N 3.17Å; A162-A166 WeakPolarHBondContact O-CB 3.3Å; A162-A166 PolarHBondContact O-N 2.92Å
163	W	96.4	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-48.7	174.7	168.4	58.5	0	0	0	111.9	I123 W126 V159 I160 K165 A166 L167 A201 M202 H205 F208	I123-W163 HydrophobicContact CB-CB 4.19Å; I123-W163 HydrophobicContact CG2-CB 3.92Å; W126-W163 HydrophobicContact CB-CG 4.42Å; W126-W163 HydrophobicContact CE3-CB 4.38Å; W126-W163 HydrophobicContact CE3-CG 4.25Å; W126-W163 PolarHBondContact O-NE1 3.45Å; V159-W163 PolarHBondContact O-N 2.74Å; I160-W163 HydrophobicContact CD1-CE3 4.35Å; I160-W163 HydrophobicContact CG2-CE3 4.31Å; I160-W163 PolarHBondContact O-N 2.88Å; W163-K165 PolarHBondContact O-N 3.11Å; W163-A166 PolarHBondContact O-N 3.42Å; W163-L167 HydrophobicContact CZ2-CD2 4.04Å; W163-L167 VanDerWaalsContact O-CB 3.25Å; W163-L167 WeakPolarHBondContact O-CB 3.31Å; W163-L167 PolarHBondContact O-N 2.65Å; W163-A201 HydrophobicContact CZ2-CB 4.49Å; W163-M202 HydrophobicContact CH2-SD 3.52Å; W163-M202 VanDerWaalsContact CH2-SD 3.52Å; W163-M202 HydrophobicContact CZ2-SD 4.47Å; W163-M202 HydrophobicContact CZ3-SD 3.88Å; W163-H205 AromaticContact CE3-CD2 3.88Å; W163-H205 HydrophobicContact CH2-CB 3.69Å; W163-H205 AromaticContact CH2-CD2 3.66Å; W163-H205 AromaticContact CH2-CG 3.79Å; W163-H205 HydrophobicContact CZ2-CB 4.13Å; W163-H205 AromaticContact CZ2-CD2 3.88Å; W163-H205 HydrophobicContact CZ3-CB 4.32Å; W163-H205 AromaticContact CZ3-CD2 3.66Å; W163-H205 AromaticContact CZ3-CG 3.96Å; W163-F208 HydrophobicContact CE3-CE2 4.41Å; W163-F208 HydrophobicContact CH2-CD2 4.27Å; W163-F208 HydrophobicContact CH2-CE2 4.34Å; W163-F208 AromaticContact CZ3-CD2 3.93Å; W163-F208 HydrophobicContact CZ3-CD2 3.93Å; W163-F208 AromaticContact CZ3-CE2 3.56Å; W163-F208 HydrophobicContact CZ3-CE2 3.56Å
164	Q	98.2	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-42.9	179.7	-74.1	-62.8	-46.4	0	0	112.5	I160 L167 C168 I177 I184 Y198 M202 V230	I160-Q164 HydrophobicContact CG2-CG 4.18Å; I160-Q164 WeakPolarHBondContact O-CB 3.34Å; I160-Q164 WeakPolarHBondContact O-CG 3.45Å; I160-Q164 PolarHBondContact O-N 2.92Å; Q164-L167 PolarHBondContact O-N 3.14Å; Q164-C168 WeakPolarHBondContact O-CB 3.41Å; Q164-C168 PolarHBondContact O-N 3.35Å; Q164-C168 PolarHBondContact O-SG 2.93Å; Q164-C168 VanDerWaalsContact O-SG 3.33Å; Q164-I177 HydrophobicContact CB-CD1 4.26Å; Q164-I177 HydrophobicContact CG-CG2 4.45Å; Q164-I184 HydrophobicContact CG-CD1 3.84Å; Q164-Y198 PolarHBondContact OE1-OH 3.07Å; Q164-M202 PolarHBondContact NE2-SD 3.14Å; Q164-V230 HydrophobicContact CB-CG1 3.85Å
165	K	97.7	Very high	96.3	Very high	108 Å²	108	42.5 Å²	42.5	47%	0.47	23%	0.225	S	C	.	.	H	α-helix	trans	-61.2	-51	176.1	-175.5	174.3	176.3	-179.6	0	111.3	C161 A162 W163 L167 C168 E169 V230	C161-K165 WeakPolarHBondContact O-CB 3.25Å; C161-K165 PolarHBondContact O-N 3.45Å; A162-K165 PolarHBondContact O-N 3.17Å; W163-K165 PolarHBondContact O-N 3.11Å; K165-L167 PolarHBondContact O-N 3.4Å; K165-C168 PolarHBondContact O-N 3.09Å; K165-E169 WeakPolarHBondContact CE-OE1 3.32Å; K165-E169 HydrophobicContact CG-CG 4.49Å; K165-E169 WeakPolarHBondContact CG-OE1 3.26Å; K165-E169 WeakPolarHBondContact O-CB 3.37Å; K165-E169 VanDerWaalsContact O-CG 3.28Å; K165-E169 WeakPolarHBondContact O-CG 3.2Å; K165-E169 PolarHBondContact O-N 3.06Å; K165-V230 HydrophobicContact CB-CB 4.3Å; K165-V230 HydrophobicContact CB-CG2 4.33Å
166	A	96.2	Very high	96.6	Very high	32 Å²	32	39.1 Å²	39.1	26%	0.264	20%	0.202	S	C	.	.	H	α-helix	trans	-62.4	-41.1	179.8	0	0	0	0	0	112.4	I123 I127 A162 W163 K170	I123-A166 HydrophobicContact CD1-CB 3.92Å; I127-A166 HydrophobicContact CD1-CB 4.11Å; A162-A166 WeakPolarHBondContact O-CB 3.3Å; A162-A166 PolarHBondContact O-N 2.92Å; W163-A166 PolarHBondContact O-N 3.42Å; A166-K170 VanDerWaalsContact O-CB 3.22Å; A166-K170 WeakPolarHBondContact O-CB 3.42Å; A166-K170 PolarHBondContact O-N 2.83Å
167	L	96.7	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-48.5	178.2	-179.3	61.7	0	0	0	111.7	I127 P128 W163 Q164 K165 K170 L171 Y198 A201	I127-L167 HydrophobicContact CD1-CB 3.95Å; I127-L167 HydrophobicContact CD1-CD1 4.4Å; P128-L167 HydrophobicContact CG-CD1 3.97Å; W163-L167 HydrophobicContact CZ2-CD2 4.04Å; W163-L167 VanDerWaalsContact O-CB 3.25Å; W163-L167 WeakPolarHBondContact O-CB 3.31Å; W163-L167 PolarHBondContact O-N 2.65Å; Q164-L167 PolarHBondContact O-N 3.14Å; K165-L167 PolarHBondContact O-N 3.4Å; L167-K170 PolarHBondContact O-N 3.07Å; L167-L171 HydrophobicContact CD1-CD1 3.69Å; L167-L171 HydrophobicContact CD1-CG 4.3Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 WeakPolarHBondContact O-CB 3.23Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.26Å; L167-L171 PolarHBondContact O-N 3.04Å; L167-L171 VanDerWaalsContact O-N 3.1Å; L167-Y198 HydrophobicContact CD2-CD2 3.7Å; L167-Y198 HydrophobicContact CD2-CE2 3.76Å; L167-Y198 HydrophobicContact CG-CD2 3.96Å; L167-Y198 HydrophobicContact CG-CE2 4.23Å; L167-A201 HydrophobicContact CD1-CB 4.19Å; L167-A201 HydrophobicContact CD2-CB 3.8Å
168	C	97.9	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-43.1	178.7	-72.4	0	0	0	0	112.2	Q164 K165 K170 L171 H172 L173 L228	Q164-C168 WeakPolarHBondContact O-CB 3.41Å; Q164-C168 PolarHBondContact O-N 3.35Å; Q164-C168 PolarHBondContact O-SG 2.93Å; Q164-C168 VanDerWaalsContact O-SG 3.33Å; K165-C168 PolarHBondContact O-N 3.09Å; C168-K170 PolarHBondContact O-N 3.34Å; C168-L171 CarbonylContact O-C 3.52Å; C168-L171 PolarHBondContact O-N 3.44Å; C168-H172 PolarHBondContact O-N 3.03Å; C168-H172 VanDerWaalsContact O-N 3.08Å; C168-L173 HydrophobicContact CB-CB 4.09Å; C168-L173 PolarHBondContact O-N 2.76Å; C168-L228 HydrophobicContact CB-CD1 3.79Å; C168-L228 HydrophobicContact CB-CD2 3.48Å; C168-L228 VanDerWaalsContact CB-CD2 3.48Å; C168-L228 HydrophobicContact CB-CG 4.29Å
169	E	95.8	Very high	97.1	Very high	105 Å²	105	32.7 Å²	32.7	49%	0.491	17%	0.165	S	C	.	.	H	α-helix	trans	-60.9	-44.5	176.3	-74.5	172.3	178.2	0	0	111.4	K165 L171 H172 L228	K165-E169 WeakPolarHBondContact CE-OE1 3.32Å; K165-E169 HydrophobicContact CG-CG 4.49Å; K165-E169 WeakPolarHBondContact CG-OE1 3.26Å; K165-E169 WeakPolarHBondContact O-CB 3.37Å; K165-E169 VanDerWaalsContact O-CG 3.28Å; K165-E169 WeakPolarHBondContact O-CG 3.2Å; K165-E169 PolarHBondContact O-N 3.06Å; E169-L171 PolarHBondContact O-N 3.1Å; E169-H172 PolarHBondContact O-N 3.19Å; E169-L228 HydrophobicContact CG-CD2 4.04Å
170	K	94.9	Very high	97.3	Very high	72 Å²	72	31.3 Å²	31.3	31%	0.313	16%	0.157	S	C	.	.	H	α-helix	trans	-63.2	-30.2	177.9	-173.4	175.8	-175.1	-174.2	0	112.9	I127 P128 I130 A166 L167 C168	I127-K170 HydrophobicContact CG2-CD 3.5Å; I127-K170 VanDerWaalsContact CG2-NZ 3.27Å; P128-K170 PolarHBondContact O-NZ 2.61Å; I130-K170 HydrophobicContact CD1-CD 4.06Å; I130-K170 VanDerWaalsContact CD1-CE 3.41Å; I130-K170 HydrophobicContact CD1-CG 3.66Å; A166-K170 VanDerWaalsContact O-CB 3.22Å; A166-K170 WeakPolarHBondContact O-CB 3.42Å; A166-K170 PolarHBondContact O-N 2.83Å; L167-K170 PolarHBondContact O-N 3.07Å; C168-K170 PolarHBondContact O-N 3.34Å
171	L	96.6	Very high	97.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.6	-178.8	-65.1	176.2	0	0	0	113.3	I130 L138 L167 C168 E169 L173 A194 I197 Y198	I130-L171 HydrophobicContact CG2-CD2 4.37Å; L138-L171 HydrophobicContact CD2-CD2 4.1Å; L167-L171 HydrophobicContact CD1-CD1 3.69Å; L167-L171 HydrophobicContact CD1-CG 4.3Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 WeakPolarHBondContact O-CB 3.23Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.26Å; L167-L171 PolarHBondContact O-N 3.04Å; L167-L171 VanDerWaalsContact O-N 3.1Å; C168-L171 CarbonylContact O-C 3.52Å; C168-L171 PolarHBondContact O-N 3.44Å; E169-L171 PolarHBondContact O-N 3.1Å; L171-L173 HydrophobicContact CB-CD1 4.15Å; L171-L173 HydrophobicContact CB-CD2 4.48Å; L171-L173 HydrophobicContact CB-CG 3.82Å; L171-L173 HydrophobicContact CD1-CD1 4.34Å; L171-L173 PolarHBondContact O-N 2.99Å; L171-A194 HydrophobicContact CB-CB 4.27Å; L171-A194 WeakPolarHBondContact O-CB 3.47Å; L171-I197 HydrophobicContact CD1-CB 4.42Å; L171-I197 HydrophobicContact CD1-CG2 4.12Å; L171-I197 HydrophobicContact CD2-CB 4.13Å; L171-I197 HydrophobicContact CD2-CD1 4.26Å; L171-I197 HydrophobicContact CD2-CG2 3.79Å; L171-Y198 HydrophobicContact CD1-CD2 4.28Å
172	H	96.6	Very high	97.2	Very high	51 Å²	51	33.1 Å²	33.1	24%	0.236	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	33.6	-176.4	-57.5	-69.5	0	0	0	113.5	E135 R139 C168 E169	E135-H172 IonicContact OE1-CE1 2.96Å; E135-H172 IonicContact OE1-NE2 3.35Å; E135-H172 PolarHBondContact OE1-NE2 2.94Å; E135-H172 IonicContact OE2-CE1 3.84Å; E135-H172 IonicContact OE2-NE2 3.45Å; E135-H172 PolarHBondContact OE2-NE2 3.48Å; R139-H172 HydrophobicContact CG-CB 4.37Å; R139-H172 PolarHBondContact NH2-CE1 3.05Å; R139-H172 PolarHBondContact NH2-NE2 2.96Å; C168-H172 PolarHBondContact O-N 3.03Å; C168-H172 VanDerWaalsContact O-N 3.08Å; E169-H172 PolarHBondContact O-N 3.19Å
173	L	98.1	Very high	97.3	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.026	15%	0.154	C	C	.	.			trans	-84.4	140.8	177.2	-57.5	-179.3	0	0	0	110.9	C168 L171 V188 G189 A194 T195 Y198	C168-L173 HydrophobicContact CB-CB 4.09Å; C168-L173 PolarHBondContact O-N 2.76Å; L171-L173 HydrophobicContact CB-CD1 4.15Å; L171-L173 HydrophobicContact CB-CD2 4.48Å; L171-L173 HydrophobicContact CB-CG 3.82Å; L171-L173 HydrophobicContact CD1-CD1 4.34Å; L171-L173 PolarHBondContact O-N 2.99Å; L173-V188 HydrophobicContact CD1-CB 4.5Å; L173-V188 HydrophobicContact CD1-CG2 4.3Å; L173-G189 WeakPolarHBondContact CA-O 3.47Å; L173-A194 HydrophobicContact CD2-CB 3.76Å; L173-T195 HydrophobicContact CD2-CG2 4.25Å; L173-Y198 HydrophobicContact CD1-CD2 3.5Å; L173-Y198 VanDerWaalsContact CD1-CD2 3.5Å; L173-Y198 HydrophobicContact CD1-CE2 4.25Å; L173-Y198 HydrophobicContact CD1-CG 3.78Å
174	T	98.3	Very high	97.4	Very high	30 Å²	30	30.8 Å²	30.8	18%	0.184	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	166.2	166.9	62.4	0	0	0	0	109.6	V188 G189 A222	T174-V188 CarbonylContact O-C 3.51Å; T174-V188 VanDerWaalsContact O-CA 3.25Å; T174-V188 WeakPolarHBondContact O-CA 3.29Å; T174-G189 PolarHBondContact N-O 2.78Å; T174-G189 VanDerWaalsContact N-O 3.12Å; T174-G189 PolarHBondContact O-N 3.33Å; T174-A222 HydrophobicContact CG2-CB 4.11Å; T174-A222 VanDerWaalsContact OG1-C 3.25Å; T174-A222 WeakPolarHBondContact OG1-CA 3.3Å; T174-A222 PolarHBondContact OG1-O 3.04Å
175	G	97.9	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.3	-161	-179.1	0	0	0	0	0	114.2	T187 D227 L228 K229	G175-T187 CarbonylContact C-O 3.52Å; G175-T187 VanDerWaalsContact CA-O 3.25Å; G175-T187 WeakPolarHBondContact CA-O 3.44Å; G175-D227 PolarHBondContact N-O 3.43Å; G175-D227 VanDerWaalsContact N-O 3.1Å; G175-L228 CarbonylContact O-C 3.58Å; G175-L228 WeakPolarHBondContact O-CA 3.47Å; G175-K229 PolarHBondContact O-N 2.92Å
176	K	98.1	Very high	97.5	Very high	102 Å²	102	27 Å²	27	44%	0.443	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.4	-173.9	-62.3	172.2	-170.2	155.1	0	110.1	G186 T187 K229 F375	K176-G186 WeakPolarHBondContact O-CA 3.49Å; K176-T187 PolarHBondContact N-O 3.08Å; K176-T187 PolarHBondContact O-N 2.92Å; K176-K229 CarbonylContact C-O 3.41Å; K176-K229 VanDerWaalsContact CA-O 3.29Å; K176-K229 WeakPolarHBondContact CA-O 3.33Å; K176-K229 HydrophobicContact CG-CB 4.34Å; K176-F375 PolarHBondContact NZ-O 2.88Å
177	I	98.7	Very high	97.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.6	176.4	-57.9	175.5	0	0	0	108.8	Q164 V179 I184 N185 V188 K229 V230 G231	Q164-I177 HydrophobicContact CB-CD1 4.26Å; Q164-I177 HydrophobicContact CG-CG2 4.45Å; I177-V179 HydrophobicContact CG2-CG2 4.14Å; I177-I184 HydrophobicContact CG2-CD1 3.87Å; I177-I184 HydrophobicContact CG2-CG1 3.92Å; I177-N185 CarbonylContact C-O 3.53Å; I177-N185 WeakPolarHBondContact CA-O 3.44Å; I177-V188 HydrophobicContact CD1-CG1 3.83Å; I177-V188 HydrophobicContact CG1-CG1 3.88Å; I177-K229 PolarHBondContact N-O 3.21Å; I177-V230 HydrophobicContact CB-CB 4.44Å; I177-V230 HydrophobicContact CB-CG1 4.05Å; I177-V230 HydrophobicContact CB-CG2 4.17Å; I177-V230 HydrophobicContact CD1-CG2 4.18Å; I177-V230 HydrophobicContact CG1-CG2 4.45Å; I177-V230 HydrophobicContact CG2-CG1 4.2Å; I177-V230 WeakPolarHBondContact O-CA 3.21Å; I177-G231 PolarHBondContact O-N 3.17Å
178	R	98.6	Very high	97.6	Very high	74 Å²	74	26.9 Å²	26.9	28%	0.279	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.5	173.6	-58.5	179.6	75.4	123.9	1.6	108.2	I184 N185 F233 I236	R178-I184 WeakPolarHBondContact O-CA 3.46Å; R178-N185 PolarHBondContact N-O 3.16Å; R178-N185 PolarHBondContact O-N 3.01Å; R178-F233 HydrophobicContact CB-CD2 3.75Å; R178-F233 HydrophobicContact CB-CE2 4.13Å; R178-F233 HydrophobicContact CG-CD2 3.79Å; R178-F233 HydrophobicContact CG-CE2 3.75Å; R178-I236 WeakPolarHBondContact CD-O 3.48Å
179	V	98.6	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.3	173.6	-168.4	0	0	0	0	107.9	L154 P157 I160 C161 I177 I184 G231 V232 F233	L154-V179 HydrophobicContact CD1-CG1 3.59Å; P157-V179 HydrophobicContact CB-CG1 3.94Å; I160-V179 HydrophobicContact CB-CG1 3.94Å; I160-V179 HydrophobicContact CG2-CG1 3.75Å; I160-V179 HydrophobicContact CG2-CG2 4.12Å; C161-V179 HydrophobicContact CB-CG2 4.3Å; I177-V179 HydrophobicContact CG2-CG2 4.14Å; V179-I184 HydrophobicContact CG2-CD1 4.4Å; V179-I184 HydrophobicContact CG2-CG1 4.35Å; V179-G231 PolarHBondContact N-O 3.34Å; V179-V232 CarbonylContact O-C 3.52Å; V179-V232 VanDerWaalsContact O-CA 3.29Å; V179-V232 WeakPolarHBondContact O-CA 3.48Å; V179-F233 PolarHBondContact O-N 3.09Å
180	A	97.6	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	169.6	173.5	0	0	0	0	0	109.4	L154 E182 G183 F233 I236	L154-A180 WeakPolarHBondContact CD1-O 3.22Å; A180-E182 HydrophobicContact CB-CG 4.04Å; A180-E182 PolarHBondContact O-N 3.3Å; A180-G183 PolarHBondContact N-O 2.88Å; A180-G183 PolarHBondContact O-N 3.41Å; A180-F233 WeakPolarHBondContact CA-O 3.48Å; A180-F233 WeakPolarHBondContact CB-O 3.37Å; A180-I236 HydrophobicContact CB-CG2 3.65Å
181	A	96.6	Very high	97.9	Very high	58 Å²	58	19 Å²	19	48%	0.479	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.1	174	0	0	0	0	0	112.8	L153 L154 P157	L153-A181 WeakPolarHBondContact CA-O 3.39Å; L154-A181 PolarHBondContact N-O 2.97Å; P157-A181 HydrophobicContact CG-CB 4.29Å
182	E	96.1	Very high	97.9	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.037	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	0.9	176.7	64.2	172	-177.1	0	0	115	Y151 C152 A180 E235 I236 Y248 R335	Y151-E182 VanDerWaalsContact CA-O 3.31Å; Y151-E182 WeakPolarHBondContact CA-O 3.26Å; Y151-E182 HydrophobicContact CD1-CB 4.41Å; Y151-E182 HydrophobicContact CD1-CG 4.48Å; Y151-E182 WeakPolarHBondContact CD1-O 3.45Å; Y151-E182 HydrophobicContact CE1-CG 4.42Å; C152-E182 PolarHBondContact N-O 3.45Å; C152-E182 VanDerWaalsContact N-O 3.1Å; C152-E182 CarbonylContact O-C 3.4Å; C152-E182 VanDerWaalsContact O-O 3.1Å; A180-E182 HydrophobicContact CB-CG 4.04Å; A180-E182 PolarHBondContact O-N 3.3Å; E182-E235 WeakPolarHBondContact OE1-CA 3.13Å; E182-I236 HydrophobicContact CG-CG1 4.29Å; E182-I236 HydrophobicContact CG-CG2 4.48Å; E182-I236 PolarHBondContact OE1-N 3.22Å; E182-Y248 HydrophobicContact CB-CD1 4.38Å; E182-Y248 HydrophobicContact CB-CE1 4.37Å; E182-R335 IonicContact OE2-CZ 2.92Å; E182-R335 IonicContact OE2-NE 3.28Å; E182-R335 IonicContact OE2-NH1 3.88Å; E182-R335 PolarHBondContact OE2-NH1 2.95Å; E182-R335 VanDerWaalsContact OE2-NH1 3.09Å
183	G	97.9	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140	-146.3	170.2	0	0	0	0	0	115.8	H150 C152 L154 A180 I236	H150-G183 VanDerWaalsContact O-CA 3.32Å; H150-G183 WeakPolarHBondContact O-CA 3.28Å; C152-G183 WeakPolarHBondContact O-CA 3.46Å; C152-G183 PolarHBondContact O-N 3.27Å; C152-G183 VanDerWaalsContact O-N 3.14Å; L154-G183 WeakPolarHBondContact CD1-O 3.4Å; A180-G183 PolarHBondContact N-O 2.88Å; A180-G183 PolarHBondContact O-N 3.41Å; G183-I236 VanDerWaalsContact C-CG2 3.41Å; G183-I236 WeakPolarHBondContact O-CG2 3.41Å
184	I	98.6	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.1	-179.6	-169.9	168.2	0	0	0	112.2	Y148 Y149 H150 I160 Q164 I177 R178 V179 M202 F208	Y148-I184 HydrophobicContact CE2-CD1 4.23Å; Y148-I184 HydrophobicContact CE2-CG1 4.24Å; Y148-I184 HydrophobicContact CE2-CG2 4.4Å; Y149-I184 CarbonylContact C-O 3.52Å; Y149-I184 VanDerWaalsContact CA-O 3.24Å; Y149-I184 WeakPolarHBondContact CA-O 3.38Å; H150-I184 HydrophobicContact CB-CG2 4.13Å; H150-I184 PolarHBondContact N-O 2.9Å; H150-I184 PolarHBondContact O-N 2.99Å; I160-I184 HydrophobicContact CG2-CD1 4.35Å; Q164-I184 HydrophobicContact CG-CD1 3.84Å; I177-I184 HydrophobicContact CG2-CD1 3.87Å; I177-I184 HydrophobicContact CG2-CG1 3.92Å; R178-I184 WeakPolarHBondContact O-CA 3.46Å; V179-I184 HydrophobicContact CG2-CD1 4.4Å; V179-I184 HydrophobicContact CG2-CG1 4.35Å; I184-M202 HydrophobicContact CD1-CE 4.28Å; I184-M202 HydrophobicContact CG2-CE 4.32Å; I184-F208 HydrophobicContact CB-CE1 4.11Å; I184-F208 HydrophobicContact CB-CZ 4.38Å; I184-F208 HydrophobicContact CG2-CD1 3.98Å; I184-F208 HydrophobicContact CG2-CE1 3.46Å; I184-F208 VanDerWaalsContact CG2-CE1 3.46Å; I184-F208 HydrophobicContact CG2-CZ 4.06Å
185	N	98.6	Very high	97.9	Very high	27 Å²	27	21.1 Å²	21.1	14%	0.144	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	129.6	172	172.2	29	0	0	0	109.2	Y148 I177 R178 I236 I331	Y148-N185 PolarHBondContact O-OD1 2.9Å; I177-N185 CarbonylContact C-O 3.53Å; I177-N185 WeakPolarHBondContact CA-O 3.44Å; R178-N185 PolarHBondContact N-O 3.16Å; R178-N185 PolarHBondContact O-N 3.01Å; N185-I236 HydrophobicContact CB-CB 3.91Å; N185-I236 HydrophobicContact CB-CD1 4.5Å; N185-I236 PolarHBondContact ND2-O 3.28Å; N185-I331 HydrophobicContact CB-CD1 3.49Å; N185-I331 VanDerWaalsContact CB-CD1 3.49Å; N185-I331 WeakPolarHBondContact ND2-CD1 3.47Å
186	G	98.1	Very high	97.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	148.4	-177.3	0	0	0	0	0	114.7	Y148 K176	Y148-G186 PolarHBondContact N-O 3.45Å; Y148-G186 PolarHBondContact O-N 3.44Å; K176-G186 WeakPolarHBondContact O-CA 3.49Å
187	T	98.2	Very high	97.8	Very high	29 Å²	29	21 Å²	21	18%	0.178	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.7	163	-47	0	0	0	0	108.1	V145 L146 L147 G175 K176 F225	V145-T187 HydrophobicContact CG1-CG2 3.72Å; L146-T187 CarbonylContact O-C 2.95Å; L146-T187 WeakPolarHBondContact O-CA 3.44Å; L146-T187 WeakPolarHBondContact O-CG2 3.31Å; L147-T187 VanDerWaalsContact CD1-OG1 3.3Å; L147-T187 WeakPolarHBondContact CD1-OG1 3.09Å; G175-T187 CarbonylContact C-O 3.52Å; G175-T187 VanDerWaalsContact CA-O 3.25Å; G175-T187 WeakPolarHBondContact CA-O 3.44Å; K176-T187 PolarHBondContact N-O 3.08Å; K176-T187 PolarHBondContact O-N 2.92Å; T187-F225 HydrophobicContact CG2-CE1 4.06Å; T187-F225 HydrophobicContact CG2-CZ 3.65Å
188	V	98.4	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.4	-175.9	-65.8	0	0	0	0	111.2	V145 L146 Y148 L173 T174 I177 Y198	V145-V188 CarbonylContact C-O 3.18Å; V145-V188 WeakPolarHBondContact CA-O 3.49Å; L146-V188 HydrophobicContact CB-CG2 3.95Å; L146-V188 HydrophobicContact CD1-CG2 4.09Å; L146-V188 HydrophobicContact CG-CG2 4.3Å; L146-V188 PolarHBondContact N-O 2.88Å; L146-V188 PolarHBondContact O-N 3.45Å; Y148-V188 HydrophobicContact CE1-CG2 4.43Å; L173-V188 HydrophobicContact CD1-CB 4.5Å; L173-V188 HydrophobicContact CD1-CG2 4.3Å; T174-V188 CarbonylContact O-C 3.51Å; T174-V188 VanDerWaalsContact O-CA 3.25Å; T174-V188 WeakPolarHBondContact O-CA 3.29Å; I177-V188 HydrophobicContact CD1-CG1 3.83Å; I177-V188 HydrophobicContact CG1-CG1 3.88Å; V188-Y198 HydrophobicContact CG2-CD1 4.31Å; V188-Y198 HydrophobicContact CG2-CE1 4.13Å
189	G	98.2	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.3	178.8	0	0	0	0	0	111.7	K144 L173 T174	K144-G189 WeakPolarHBondContact O-CA 3.37Å; L173-G189 WeakPolarHBondContact CA-O 3.47Å; T174-G189 PolarHBondContact N-O 2.78Å; T174-G189 VanDerWaalsContact N-O 3.12Å; T174-G189 PolarHBondContact O-N 3.33Å
190	G	97.8	Very high	97.7	Very high	4 Å²	4	21.4 Å²	21.4	4%	0.041	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-167.7	175.5	0	0	0	0	0	111.4	G143 K144	G143-G190 CarbonylContact C-O 3.57Å; G143-G190 VanDerWaalsContact CA-O 3.28Å; G143-G190 WeakPolarHBondContact CA-O 3.47Å; K144-G190 PolarHBondContact N-O 2.69Å; K144-G190 PolarHBondContact O-N 2.95Å; K144-G190 VanDerWaalsContact O-N 3.11Å
191	T	98.1	Very high	97.6	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.043	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	161.2	177	69.9	0	0	0	0	111.6	N137 L138 P142 V193 A194 T195	N137-T191 PolarHBondContact O-OG1 3.32Å; L138-T191 VanDerWaalsContact O-CG2 3.28Å; L138-T191 WeakPolarHBondContact O-CG2 3.11Å; L138-T191 PolarHBondContact O-OG1 3.12Å; P142-T191 CarbonylContact O-C 2.75Å; P142-T191 WeakPolarHBondContact O-CA 3.06Å; T191-V193 PolarHBondContact O-N 3.22Å; T191-A194 PolarHBondContact O-N 3.23Å; T191-A194 WeakPolarHBondContact OG1-CB 3.08Å; T191-A194 PolarHBondContact OG1-N 2.72Å; T191-T195 WeakPolarHBondContact O-CB 3.26Å; T191-T195 WeakPolarHBondContact O-CG2 3.12Å; T191-T195 PolarHBondContact O-N 2.73Å; T191-T195 PolarHBondContact O-OG1 3.49Å
192	H	96.9	Very high	97.7	Very high	76 Å²	76	18.9 Å²	18.9	35%	0.352	11%	0.108	S	C	.	.	H	α-helix	trans	-53.2	-43.1	172.6	-77.7	-154.9	0	0	0	112	P142 G143 T195 D196	P142-H192 PolarHBondContact O-CD2 3.15Å; P142-H192 PolarHBondContact O-N 2.91Å; G143-H192 PolarHBondContact O-NE2 3.19Å; H192-T195 WeakPolarHBondContact CA-OG1 3.3Å; H192-T195 PolarHBondContact O-N 3.28Å; H192-T195 PolarHBondContact O-OG1 3.19Å; H192-D196 WeakPolarHBondContact O-CB 3.11Å; H192-D196 PolarHBondContact O-N 3.16Å
193	V	96.8	Very high	97.7	Very high	56 Å²	56	21.5 Å²	21.5	34%	0.339	12%	0.122	S	C	.	.	H	α-helix	trans	-63.2	-49.2	179.2	178.4	0	0	0	0	110.9	V133 N137 L138 T191 T195 D196 I197	V133-V193 HydrophobicContact CG1-CG1 3.7Å; N137-V193 HydrophobicContact CB-CG2 4.42Å; L138-V193 HydrophobicContact CD2-CG1 4.21Å; T191-V193 PolarHBondContact O-N 3.22Å; V193-T195 PolarHBondContact O-N 2.88Å; V193-D196 PolarHBondContact O-N 3.37Å; V193-I197 HydrophobicContact CG1-CD1 3.94Å; V193-I197 WeakPolarHBondContact O-CD1 3.28Å; V193-I197 VanDerWaalsContact O-CG1 3.29Å; V193-I197 WeakPolarHBondContact O-CG1 3.39Å; V193-I197 PolarHBondContact O-N 3.43Å; V193-I197 VanDerWaalsContact O-N 3.09Å
194	A	97.8	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-44.4	179.6	0	0	0	0	0	111.9	L138 L171 L173 T191 I197 Y198	L138-A194 HydrophobicContact CD2-CB 4.03Å; L171-A194 HydrophobicContact CB-CB 4.27Å; L171-A194 WeakPolarHBondContact O-CB 3.47Å; L173-A194 HydrophobicContact CD2-CB 3.76Å; T191-A194 PolarHBondContact O-N 3.23Å; T191-A194 WeakPolarHBondContact OG1-CB 3.08Å; T191-A194 PolarHBondContact OG1-N 2.72Å; A194-I197 PolarHBondContact O-N 2.88Å; A194-Y198 WeakPolarHBondContact O-CB 3.35Å; A194-Y198 PolarHBondContact O-N 3.37Å
195	T	97.9	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.5	-35.7	179.8	51.4	0	0	0	0	113	K144 L146 L173 T191 H192 V193 Y198 I199	K144-T195 HydrophobicContact CB-CG2 4.34Å; L146-T195 HydrophobicContact CD1-CG2 4.07Å; L146-T195 HydrophobicContact CD2-CG2 4.38Å; L146-T195 HydrophobicContact CG-CG2 3.89Å; L173-T195 HydrophobicContact CD2-CG2 4.25Å; T191-T195 WeakPolarHBondContact O-CB 3.26Å; T191-T195 WeakPolarHBondContact O-CG2 3.12Å; T191-T195 PolarHBondContact O-N 2.73Å; T191-T195 PolarHBondContact O-OG1 3.49Å; H192-T195 WeakPolarHBondContact CA-OG1 3.3Å; H192-T195 PolarHBondContact O-N 3.28Å; H192-T195 PolarHBondContact O-OG1 3.19Å; V193-T195 PolarHBondContact O-N 2.88Å; T195-Y198 WeakPolarHBondContact O-CB 3.3Å; T195-Y198 PolarHBondContact O-N 3.2Å; T195-I199 VanDerWaalsContact O-CG1 3.31Å; T195-I199 WeakPolarHBondContact O-CG1 3.47Å; T195-I199 PolarHBondContact O-N 3.34Å
196	D	97.3	Very high	96.7	Very high	72 Å²	72	29.1 Å²	29.1	39%	0.385	18%	0.175	S	C	.	.	H	α-helix	trans	-70.7	-36.9	177	-67.7	-13	0	0	0	111.7	K144 H192 V193 S200	K144-D196 IonicContact NZ-OD1 2.93Å; K144-D196 PolarHBondContact NZ-OD1 3.31Å; K144-D196 IonicContact NZ-OD2 3.82Å; H192-D196 WeakPolarHBondContact O-CB 3.11Å; H192-D196 PolarHBondContact O-N 3.16Å; V193-D196 PolarHBondContact O-N 3.37Å; D196-S200 PolarHBondContact O-N 3.29Å; D196-S200 PolarHBondContact O-OG 2.75Å
197	I	97.4	Very high	96.4	Very high	29 Å²	29	32 Å²	32	15%	0.149	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-43.1	171.3	-64.9	164.1	0	0	0	110.4	P128 I130 V133 L138 L171 V193 A194 I199 S200 A201	P128-I197 HydrophobicContact CB-CG2 4.31Å; P128-I197 HydrophobicContact CG-CG2 3.74Å; I130-I197 HydrophobicContact CG2-CD1 4.32Å; I130-I197 HydrophobicContact CG2-CG2 4.2Å; V133-I197 HydrophobicContact CG1-CD1 4.32Å; V133-I197 HydrophobicContact CG2-CD1 3.98Å; L138-I197 HydrophobicContact CD2-CD1 4.11Å; L171-I197 HydrophobicContact CD1-CB 4.42Å; L171-I197 HydrophobicContact CD1-CG2 4.12Å; L171-I197 HydrophobicContact CD2-CB 4.13Å; L171-I197 HydrophobicContact CD2-CD1 4.26Å; L171-I197 HydrophobicContact CD2-CG2 3.79Å; V193-I197 HydrophobicContact CG1-CD1 3.94Å; V193-I197 WeakPolarHBondContact O-CD1 3.28Å; V193-I197 VanDerWaalsContact O-CG1 3.29Å; V193-I197 WeakPolarHBondContact O-CG1 3.39Å; V193-I197 PolarHBondContact O-N 3.43Å; V193-I197 VanDerWaalsContact O-N 3.09Å; A194-I197 PolarHBondContact O-N 2.88Å; I197-I199 PolarHBondContact O-N 3.19Å; I197-S200 WeakPolarHBondContact O-CB 3.41Å; I197-S200 PolarHBondContact O-N 2.97Å; I197-A201 PolarHBondContact O-N 2.83Å
198	Y	98.2	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-47.6	177.5	-178.6	-90.2	0	0	0	112	L146 Y148 Q164 L167 L171 L173 V188 A194 T195 S200 A201 M202 F215	L146-Y198 HydrophobicContact CD1-CD1 3.7Å; L146-Y198 HydrophobicContact CD1-CE1 4.39Å; Y148-Y198 AromaticContact CE1-CE1 3.87Å; Y148-Y198 HydrophobicContact CE1-CE1 3.87Å; Y148-Y198 VanDerWaalsContact CZ-OH 3.27Å; Y148-Y198 PolarHBondContact OH-OH 2.9Å; Q164-Y198 PolarHBondContact OE1-OH 3.07Å; L167-Y198 HydrophobicContact CD2-CD2 3.7Å; L167-Y198 HydrophobicContact CD2-CE2 3.76Å; L167-Y198 HydrophobicContact CG-CD2 3.96Å; L167-Y198 HydrophobicContact CG-CE2 4.23Å; L171-Y198 HydrophobicContact CD1-CD2 4.28Å; L173-Y198 HydrophobicContact CD1-CD2 3.5Å; L173-Y198 VanDerWaalsContact CD1-CD2 3.5Å; L173-Y198 HydrophobicContact CD1-CE2 4.25Å; L173-Y198 HydrophobicContact CD1-CG 3.78Å; V188-Y198 HydrophobicContact CG2-CD1 4.31Å; V188-Y198 HydrophobicContact CG2-CE1 4.13Å; A194-Y198 WeakPolarHBondContact O-CB 3.35Å; A194-Y198 PolarHBondContact O-N 3.37Å; T195-Y198 WeakPolarHBondContact O-CB 3.3Å; T195-Y198 PolarHBondContact O-N 3.2Å; Y198-S200 VanDerWaalsContact C-N 3.32Å; Y198-S200 PolarHBondContact O-N 3.15Å; Y198-A201 PolarHBondContact O-N 3.17Å; Y198-M202 HydrophobicContact CD1-CG 4.21Å; Y198-M202 HydrophobicContact CE1-CG 3.71Å; Y198-M202 HydrophobicContact CE1-SD 4.44Å; Y198-M202 WeakPolarHBondContact O-CG 2.81Å; Y198-M202 PolarHBondContact O-N 3.12Å; Y198-F215 HydrophobicContact CE1-CE1 4.44Å
199	I	98.2	Very high	95.7	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.051	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-48.3	174.7	-69.2	167.3	0	0	0	109.8	L146 T195 I197 A201 M202 L203 F215	L146-I199 HydrophobicContact CD1-CD1 4.11Å; L146-I199 HydrophobicContact CD1-CG1 3.79Å; L146-I199 HydrophobicContact CD2-CD1 3.93Å; T195-I199 VanDerWaalsContact O-CG1 3.31Å; T195-I199 WeakPolarHBondContact O-CG1 3.47Å; T195-I199 PolarHBondContact O-N 3.34Å; I197-I199 PolarHBondContact O-N 3.19Å; I199-A201 VanDerWaalsContact C-N 3.28Å; I199-A201 PolarHBondContact O-N 2.66Å; I199-M202 WeakPolarHBondContact O-CB 3.49Å; I199-M202 PolarHBondContact O-N 3.45Å; I199-L203 HydrophobicContact CG2-CD1 3.75Å; I199-L203 HydrophobicContact CG2-CG 4.08Å; I199-L203 VanDerWaalsContact O-CG 3.29Å; I199-L203 WeakPolarHBondContact O-CG 3.37Å; I199-L203 PolarHBondContact O-N 3Å; I199-F215 HydrophobicContact CD1-CB 4.03Å; I199-F215 HydrophobicContact CD1-CG 4.23Å; I199-F215 HydrophobicContact CG1-CB 4.14Å; I199-F215 HydrophobicContact CG1-CD1 3.84Å; I199-F215 HydrophobicContact CG1-CD2 4.24Å; I199-F215 HydrophobicContact CG1-CE1 4.35Å; I199-F215 HydrophobicContact CG1-CG 3.79Å; I199-F215 HydrophobicContact CG2-CD2 3.92Å; I199-F215 HydrophobicContact CG2-CE2 4.11Å; I199-F215 HydrophobicContact CG2-CG 4.33Å
200	S	97	Very high	95.5	Very high	73 Å²	73	39.6 Å²	39.6	51%	0.51	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-38.8	-179	-56.7	0	0	0	0	112.6	D196 I197 Y198 L203 S204	D196-S200 PolarHBondContact O-N 3.29Å; D196-S200 PolarHBondContact O-OG 2.75Å; I197-S200 WeakPolarHBondContact O-CB 3.41Å; I197-S200 PolarHBondContact O-N 2.97Å; Y198-S200 VanDerWaalsContact C-N 3.32Å; Y198-S200 PolarHBondContact O-N 3.15Å; S200-L203 PolarHBondContact O-N 3.4Å; S200-S204 WeakPolarHBondContact O-CB 3.19Å; S200-S204 PolarHBondContact O-N 3.45Å; S200-S204 VanDerWaalsContact O-N 3.08Å; S200-S204 PolarHBondContact O-OG 2.84Å
201	A	96.3	Very high	95.4	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-35.7	175.3	0	0	0	0	0	112.8	P128 W163 L167 I197 Y198 I199 S204 H205	P128-A201 HydrophobicContact CG-CB 4.25Å; W163-A201 HydrophobicContact CZ2-CB 4.49Å; L167-A201 HydrophobicContact CD1-CB 4.19Å; L167-A201 HydrophobicContact CD2-CB 3.8Å; I197-A201 PolarHBondContact O-N 2.83Å; Y198-A201 PolarHBondContact O-N 3.17Å; I199-A201 VanDerWaalsContact C-N 3.28Å; I199-A201 PolarHBondContact O-N 2.66Å; A201-S204 PolarHBondContact O-OG 3.43Å; A201-S204 VanDerWaalsContact O-OG 3.08Å; A201-H205 PolarHBondContact O-N 3.3Å
202	M	97.3	Very high	95.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-43.4	173.8	-72.5	-68.2	-61.6	0	0	112.1	Y148 W163 Q164 I184 Y198 I199 S204 H205 F208 M210 F215	Y148-M202 HydrophobicContact CD2-CE 4.3Å; Y148-M202 HydrophobicContact CE2-CE 3.83Å; W163-M202 HydrophobicContact CH2-SD 3.52Å; W163-M202 VanDerWaalsContact CH2-SD 3.52Å; W163-M202 HydrophobicContact CZ2-SD 4.47Å; W163-M202 HydrophobicContact CZ3-SD 3.88Å; Q164-M202 PolarHBondContact NE2-SD 3.14Å; I184-M202 HydrophobicContact CD1-CE 4.28Å; I184-M202 HydrophobicContact CG2-CE 4.32Å; Y198-M202 HydrophobicContact CD1-CG 4.21Å; Y198-M202 HydrophobicContact CE1-CG 3.71Å; Y198-M202 HydrophobicContact CE1-SD 4.44Å; Y198-M202 WeakPolarHBondContact O-CG 2.81Å; Y198-M202 PolarHBondContact O-N 3.12Å; I199-M202 WeakPolarHBondContact O-CB 3.49Å; I199-M202 PolarHBondContact O-N 3.45Å; M202-S204 VanDerWaalsContact C-N 3.31Å; M202-S204 PolarHBondContact O-N 3.04Å; M202-H205 PolarHBondContact O-N 2.89Å; M202-F208 HydrophobicContact CE-CD2 4.22Å; M202-F208 HydrophobicContact CE-CG 4.26Å; M202-M210 HydrophobicContact CE-SD 3.76Å; M202-F215 HydrophobicContact CB-CE1 4.1Å; M202-F215 HydrophobicContact CB-CE2 4.43Å; M202-F215 HydrophobicContact CB-CZ 3.5Å; M202-F215 VanDerWaalsContact CB-CZ 3.5Å; M202-F215 HydrophobicContact CG-CE1 4.05Å; M202-F215 HydrophobicContact CG-CZ 3.95Å
203	L	96.2	Very high	95.1	Very high	63 Å²	63	53.5 Å²	53.5	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-68	-29.6	179.5	-63.7	177.5	0	0	0	112.7	I199 S200 M210 F215	I199-L203 HydrophobicContact CG2-CD1 3.75Å; I199-L203 HydrophobicContact CG2-CG 4.08Å; I199-L203 VanDerWaalsContact O-CG 3.29Å; I199-L203 WeakPolarHBondContact O-CG 3.37Å; I199-L203 PolarHBondContact O-N 3Å; S200-L203 PolarHBondContact O-N 3.4Å; L203-M210 VanDerWaalsContact CD2-C 3.49Å; L203-M210 HydrophobicContact CD2-CB 4.1Å; L203-M210 WeakPolarHBondContact CD2-O 3.48Å; L203-F215 HydrophobicContact CD2-CE2 3.95Å; L203-F215 HydrophobicContact CG-CE2 4.43Å
204	S	93.2	Very high	95	Very high	88 Å²	88	53.4 Å²	53.4	62%	0.615	28%	0.282	S	S	*	.	H	α-helix	trans	-82.6	-14.9	179.1	66.2	0	0	0	0	113.7	S200 A201 M202	S200-S204 WeakPolarHBondContact O-CB 3.19Å; S200-S204 PolarHBondContact O-N 3.45Å; S200-S204 VanDerWaalsContact O-N 3.08Å; S200-S204 PolarHBondContact O-OG 2.84Å; A201-S204 PolarHBondContact O-OG 3.43Å; A201-S204 VanDerWaalsContact O-OG 3.08Å; M202-S204 VanDerWaalsContact C-N 3.31Å; M202-S204 PolarHBondContact O-N 3.04Å
205	H	93.1	Very high	95	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.014	28%	0.284	C	S	.	.	S	Bend	trans	-74.2	124.4	-177.5	-172	-74.3	0	0	0	110.8	W126 W163 A201 M202 V207 F208	W126-H205 AromaticContact CD2-CD2 3.67Å; W126-H205 AromaticContact CD2-NE2 3.55Å; W126-H205 AromaticContact CE2-NE2 3.76Å; W126-H205 AromaticContact CE3-CD2 3.97Å; W126-H205 AromaticContact CE3-NE2 3.56Å; W126-H205 AromaticContact CG-CD2 3.78Å; W126-H205 AromaticContact CH2-NE2 3.98Å; W126-H205 AromaticContact CZ2-NE2 3.98Å; W126-H205 AromaticContact CZ3-NE2 3.78Å; W163-H205 AromaticContact CE3-CD2 3.88Å; W163-H205 HydrophobicContact CH2-CB 3.69Å; W163-H205 AromaticContact CH2-CD2 3.66Å; W163-H205 AromaticContact CH2-CG 3.79Å; W163-H205 HydrophobicContact CZ2-CB 4.13Å; W163-H205 AromaticContact CZ2-CD2 3.88Å; W163-H205 HydrophobicContact CZ3-CB 4.32Å; W163-H205 AromaticContact CZ3-CD2 3.66Å; W163-H205 AromaticContact CZ3-CG 3.96Å; A201-H205 PolarHBondContact O-N 3.3Å; M202-H205 PolarHBondContact O-N 2.89Å; H205-V207 VanDerWaalsContact C-N 3.25Å; H205-V207 PolarHBondContact ND1-N 2.98Å; H205-V207 PolarHBondContact O-N 2.86Å; H205-V207 VanDerWaalsContact O-N 3.07Å; H205-F208 HydrophobicContact CB-CD2 3.92Å; H205-F208 AromaticContact CG-CD2 3.71Å; H205-F208 AromaticContact ND1-CD2 3.41Å; H205-F208 WeakPolarHBondContact ND1-CD2 3.32Å; H205-F208 AromaticContact ND1-CE2 3.71Å; H205-F208 PolarHBondContact O-N 2.84Å
206	P	88.3	Confident	94.9	Very high	96 Å²	96	54.1 Å²	54.1	62%	0.623	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.3	-166.1	24.2	-35.3	0	0	0	114.8
207	V	91.4	Very high	94.9	Very high	61 Å²	61	53.8 Å²	53.8	37%	0.37	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-32.6	178.8	178.4	0	0	0	0	112.1	L154 H205 K209	L154-V207 HydrophobicContact CD2-CG1 3.39Å; H205-V207 VanDerWaalsContact C-N 3.25Å; H205-V207 PolarHBondContact ND1-N 2.98Å; H205-V207 PolarHBondContact O-N 2.86Å; H205-V207 VanDerWaalsContact O-N 3.07Å; V207-K209 PolarHBondContact O-N 3.38Å
208	F	90.8	Very high	94.7	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.018	29%	0.286	C	S	.	.			trans	-94.1	101.7	-174.7	-62.8	-62.9	0	0	0	108.9	H150 L154 I160 W163 I184 M202 H205 M210	H150-F208 HydrophobicContact CB-CD1 4.44Å; H150-F208 AromaticContact CD2-CD1 3.86Å; L154-F208 HydrophobicContact CD1-CZ 4.39Å; L154-F208 HydrophobicContact CD2-CE1 4.04Å; L154-F208 HydrophobicContact CD2-CZ 3.99Å; I160-F208 HydrophobicContact CD1-CE2 4.07Å; I160-F208 HydrophobicContact CD1-CZ 4.34Å; I160-F208 HydrophobicContact CG1-CZ 4.38Å; I160-F208 HydrophobicContact CG2-CE2 4.17Å; I160-F208 HydrophobicContact CG2-CZ 3.84Å; W163-F208 HydrophobicContact CE3-CE2 4.41Å; W163-F208 HydrophobicContact CH2-CD2 4.27Å; W163-F208 HydrophobicContact CH2-CE2 4.34Å; W163-F208 AromaticContact CZ3-CD2 3.93Å; W163-F208 HydrophobicContact CZ3-CD2 3.93Å; W163-F208 AromaticContact CZ3-CE2 3.56Å; W163-F208 HydrophobicContact CZ3-CE2 3.56Å; I184-F208 HydrophobicContact CB-CE1 4.11Å; I184-F208 HydrophobicContact CB-CZ 4.38Å; I184-F208 HydrophobicContact CG2-CD1 3.98Å; I184-F208 HydrophobicContact CG2-CE1 3.46Å; I184-F208 VanDerWaalsContact CG2-CE1 3.46Å; I184-F208 HydrophobicContact CG2-CZ 4.06Å; M202-F208 HydrophobicContact CE-CD2 4.22Å; M202-F208 HydrophobicContact CE-CG 4.26Å; H205-F208 HydrophobicContact CB-CD2 3.92Å; H205-F208 AromaticContact CG-CD2 3.71Å; H205-F208 AromaticContact ND1-CD2 3.41Å; H205-F208 WeakPolarHBondContact ND1-CD2 3.32Å; H205-F208 AromaticContact ND1-CE2 3.71Å; H205-F208 PolarHBondContact O-N 2.84Å; F208-M210 HydrophobicContact CB-CG 4.09Å; F208-M210 HydrophobicContact CB-SD 4.2Å; F208-M210 PolarHBondContact O-N 2.83Å
209	K	90.9	Very high	94.5	Very high	178 Å²	178	60.4 Å²	60.4	77%	0.774	32%	0.323	S	S	*	.			trans	-85.7	58.4	173.7	-62.4	-178.4	-177.2	179.3	0	109.7	V207	V207-K209 PolarHBondContact O-N 3.38Å
210	M	94.9	Very high	94.4	Very high	7 Å²	7	60.8 Å²	60.8	3%	0.034	33%	0.33	C	S	.	.			trans	-94.8	157	-178.3	-65.6	-178.1	74.1	0	0	110.3	Y148 H150 M202 L203 F208 D214 F215	Y148-M210 HydrophobicContact CD2-CE 3.98Å; Y148-M210 HydrophobicContact CG-CE 4.44Å; H150-M210 HydrophobicContact CB-CE 4.17Å; H150-M210 HydrophobicContact CB-CG 3.91Å; H150-M210 HydrophobicContact CB-SD 3.69Å; M202-M210 HydrophobicContact CE-SD 3.76Å; L203-M210 VanDerWaalsContact CD2-C 3.49Å; L203-M210 HydrophobicContact CD2-CB 4.1Å; L203-M210 WeakPolarHBondContact CD2-O 3.48Å; F208-M210 HydrophobicContact CB-CG 4.09Å; F208-M210 HydrophobicContact CB-SD 4.2Å; F208-M210 PolarHBondContact O-N 2.83Å; M210-D214 WeakPolarHBondContact CA-OD2 3.4Å; M210-D214 HydrophobicContact CE-CB 3.69Å; M210-F215 HydrophobicContact CB-CE2 4.3Å; M210-F215 HydrophobicContact CE-CE1 4.13Å; M210-F215 HydrophobicContact CE-CE2 3.81Å; M210-F215 HydrophobicContact CE-CZ 3.55Å; M210-F215 HydrophobicContact SD-CE2 4.48Å; M210-F215 HydrophobicContact SD-CZ 4.01Å
211	E	95.9	Very high	94.3	Very high	125 Å²	125	57.3 Å²	57.3	58%	0.584	31%	0.306	S	S	*	.			trans	-116.3	166.3	170.8	-63	-63.1	159.3	0	0	110.1	E213 D214 F215	E211-E213 WeakPolarHBondContact CB-OE2 3.4Å; E211-E213 PolarHBondContact O-N 3.23Å; E211-E213 VanDerWaalsContact O-N 3.16Å; E211-D214 PolarHBondContact N-OD2 3.28Å; E211-D214 WeakPolarHBondContact O-CB 3.49Å; E211-D214 PolarHBondContact O-N 2.85Å; E211-D214 VanDerWaalsContact O-N 3.09Å; E211-F215 WeakPolarHBondContact O-CD2 3.42Å
212	K	95.1	Very high	94.3	Very high	129 Å²	129	58.5 Å²	58.5	56%	0.561	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.2	-32.3	-178.3	-171.8	174.4	-179.4	176.8	0	111.8	D214 F215	K212-D214 PolarHBondContact O-N 3.47Å; K212-F215 PolarHBondContact O-N 3.1Å
213	E	92.6	Very high	94.2	Very high	125 Å²	125	64.7 Å²	64.7	58%	0.584	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-67.4	-20.1	-179	-66.4	66.6	-146.2	0	0	113.3	E211 F215 K358	E211-E213 WeakPolarHBondContact CB-OE2 3.4Å; E211-E213 PolarHBondContact O-N 3.23Å; E211-E213 VanDerWaalsContact O-N 3.16Å; E213-F215 PolarHBondContact O-N 2.87Å; E213-K358 VanDerWaalsContact O-CE 3.26Å; E213-K358 WeakPolarHBondContact O-CE 3.43Å
214	D	95.8	Very high	94.1	Very high	54 Å²	54	62 Å²	62	29%	0.289	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-67.9	-27.2	175.6	-68.9	-41.9	0	0	0	111.8	M210 E211 K212 K216	M210-D214 WeakPolarHBondContact CA-OD2 3.4Å; M210-D214 HydrophobicContact CE-CB 3.69Å; E211-D214 PolarHBondContact N-OD2 3.28Å; E211-D214 WeakPolarHBondContact O-CB 3.49Å; E211-D214 PolarHBondContact O-N 2.85Å; E211-D214 VanDerWaalsContact O-N 3.09Å; K212-D214 PolarHBondContact O-N 3.47Å; D214-K216 PolarHBondContact O-N 3.44Å; D214-K216 PolarHBondContact O-NZ 2.86Å; D214-K216 VanDerWaalsContact O-NZ 3.07Å
215	F	97.8	Very high	94.2	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.035	30%	0.304	C	S	.	.	S	Bend	trans	-85.6	100.8	177.2	-59.2	-89.8	0	0	0	110.4	Y148 Y198 I199 M202 L203 M210 E211 K212 E213	Y148-F215 AromaticContact CD1-CD1 3.87Å; Y148-F215 HydrophobicContact CD1-CD1 3.87Å; Y148-F215 AromaticContact CD1-CE1 3.92Å; Y148-F215 HydrophobicContact CD1-CE1 3.92Å; Y148-F215 AromaticContact CD2-CE1 3.96Å; Y148-F215 HydrophobicContact CD2-CE1 3.96Å; Y148-F215 AromaticContact CG-CD1 3.77Å; Y148-F215 HydrophobicContact CG-CD1 3.77Å; Y148-F215 AromaticContact CG-CE1 3.63Å; Y148-F215 HydrophobicContact CG-CE1 3.63Å; Y198-F215 HydrophobicContact CE1-CE1 4.44Å; I199-F215 HydrophobicContact CD1-CB 4.03Å; I199-F215 HydrophobicContact CD1-CG 4.23Å; I199-F215 HydrophobicContact CG1-CB 4.14Å; I199-F215 HydrophobicContact CG1-CD1 3.84Å; I199-F215 HydrophobicContact CG1-CD2 4.24Å; I199-F215 HydrophobicContact CG1-CE1 4.35Å; I199-F215 HydrophobicContact CG1-CG 3.79Å; I199-F215 HydrophobicContact CG2-CD2 3.92Å; I199-F215 HydrophobicContact CG2-CE2 4.11Å; I199-F215 HydrophobicContact CG2-CG 4.33Å; M202-F215 HydrophobicContact CB-CE1 4.1Å; M202-F215 HydrophobicContact CB-CE2 4.43Å; M202-F215 HydrophobicContact CB-CZ 3.5Å; M202-F215 VanDerWaalsContact CB-CZ 3.5Å; M202-F215 HydrophobicContact CG-CE1 4.05Å; M202-F215 HydrophobicContact CG-CZ 3.95Å; L203-F215 HydrophobicContact CD2-CE2 3.95Å; L203-F215 HydrophobicContact CG-CE2 4.43Å; M210-F215 HydrophobicContact CB-CE2 4.3Å; M210-F215 HydrophobicContact CE-CE1 4.13Å; M210-F215 HydrophobicContact CE-CE2 3.81Å; M210-F215 HydrophobicContact CE-CZ 3.55Å; M210-F215 HydrophobicContact SD-CE2 4.48Å; M210-F215 HydrophobicContact SD-CZ 4.01Å; E211-F215 WeakPolarHBondContact O-CD2 3.42Å; K212-F215 PolarHBondContact O-N 3.1Å; E213-F215 PolarHBondContact O-N 2.87Å
216	K	96.3	Very high	94.1	Very high	7 Å²	7	64 Å²	64	3%	0.03	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.9	173.9	-65.3	152.8	-164.5	72.4	0	108.9	L146 L147 D214 G329 G354 H357	L146-K216 CarbonylContact C-O 3.31Å; L146-K216 WeakPolarHBondContact CA-O 3.18Å; L147-K216 HydrophobicContact CB-CB 4.2Å; L147-K216 HydrophobicContact CD2-CD 4.23Å; L147-K216 PolarHBondContact N-O 3.49Å; L147-K216 WeakPolarHBondContact O-CB 3.37Å; L147-K216 PolarHBondContact O-N 3.19Å; D214-K216 PolarHBondContact O-N 3.44Å; D214-K216 PolarHBondContact O-NZ 2.86Å; D214-K216 VanDerWaalsContact O-NZ 3.07Å; K216-G329 WeakPolarHBondContact CE-O 3.33Å; K216-G354 WeakPolarHBondContact CE-O 3.25Å; K216-H357 HydrophobicContact CD-CB 3.97Å; K216-H357 HydrophobicContact CG-CB 4.34Å
217	T	95.6	Very high	94.4	Very high	65 Å²	65	62.6 Å²	62.6	40%	0.399	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.8	-173.1	61.6	0	0	0	0	111.6	K144 V145 L146 H357	K144-T217 HydrophobicContact CD-CG2 3.85Å; K144-T217 HydrophobicContact CG-CG2 4.37Å; V145-T217 WeakPolarHBondContact O-CA 3.48Å; L146-T217 HydrophobicContact CD2-CG2 3.8Å; T217-H357 PolarHBondContact O-CE1 2.68Å; T217-H357 PolarHBondContact O-NE2 2.64Å
218	S	95.1	Very high	94.7	Very high	21 Å²	21	61.8 Å²	61.8	15%	0.147	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.6	173.2	56.3	0	0	0	0	111.3	V145 R378	V145-S218 PolarHBondContact N-O 3.47Å; V145-S218 PolarHBondContact O-N 3.13Å; S218-R378 PolarHBondContact OG-NH1 3.48Å
219	D	93.9	Very high	95.1	Very high	147 Å²	147	67.1 Å²	67.1	79%	0.786	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	135.1	175.2	-63.8	-22.5	0	0	0	111.2	R378	D219-R378 PolarHBondContact O-NH1 3.41Å
220	G	94.6	Very high	95.4	Very high	19 Å²	19	60 Å²	60	20%	0.196	31%	0.314	C	S	.	.			trans	156.4	-145.3	-177.1	0	0	0	0	0	109.2	G143 K144 E223 C224	G143-G220 CarbonylContact C-O 3.53Å; G143-G220 WeakPolarHBondContact CA-O 3.44Å; G143-G220 VanDerWaalsContact O-O 3.08Å; K144-G220 PolarHBondContact N-O 2.98Å; K144-G220 VanDerWaalsContact N-O 3.14Å; G220-E223 VanDerWaalsContact C-OE1 3.31Å; G220-C224 VanDerWaalsContact CA-SG 3.59Å
221	G	96.1	Very high	95.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.			trans	170.1	-162.3	-179.6	0	0	0	0	0	112.1	E223 C224	G221-E223 WeakPolarHBondContact CA-OE1 3.49Å; G221-E223 VanDerWaalsContact CA-OE2 3.25Å; G221-E223 WeakPolarHBondContact CA-OE2 3.18Å; G221-E223 PolarHBondContact N-OE1 3.34Å; G221-E223 PolarHBondContact O-N 2.66Å; G221-C224 PolarHBondContact N-SG 3.4Å; G221-C224 WeakPolarHBondContact O-CB 3.32Å; G221-C224 PolarHBondContact O-N 2.78Å; G221-C224 VanDerWaalsContact O-N 3.16Å
222	A	95.3	Very high	95.7	Very high	28 Å²	28	56.8 Å²	56.8	23%	0.231	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-63.6	-29.9	179.2	0	0	0	0	0	111.9	T174 C224 F225	T174-A222 HydrophobicContact CG2-CB 4.11Å; T174-A222 VanDerWaalsContact OG1-C 3.25Å; T174-A222 WeakPolarHBondContact OG1-CA 3.3Å; T174-A222 PolarHBondContact OG1-O 3.04Å; A222-C224 PolarHBondContact O-N 2.89Å; A222-F225 PolarHBondContact O-N 2.84Å; A222-F225 VanDerWaalsContact O-O 3.08Å
223	E	94.8	Very high	95.8	Very high	130 Å²	130	55 Å²	55	61%	0.607	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.3	-14.2	176.4	73	-71.3	169.5	0	0	114	G220 G221 F225	G220-E223 VanDerWaalsContact C-OE1 3.31Å; G221-E223 WeakPolarHBondContact CA-OE1 3.49Å; G221-E223 VanDerWaalsContact CA-OE2 3.25Å; G221-E223 WeakPolarHBondContact CA-OE2 3.18Å; G221-E223 PolarHBondContact N-OE1 3.34Å; G221-E223 PolarHBondContact O-N 2.66Å; E223-F225 PolarHBondContact O-N 3.2Å
224	C	94.9	Very high	95.9	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.047	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-72.5	-13.2	175.6	-63.7	0	0	0	0	112.8	V145 G220 G221 A222 D376 E377 R378	V145-C224 HydrophobicContact CG2-CB 4.25Å; G220-C224 VanDerWaalsContact CA-SG 3.59Å; G221-C224 PolarHBondContact N-SG 3.4Å; G221-C224 WeakPolarHBondContact O-CB 3.32Å; G221-C224 PolarHBondContact O-N 2.78Å; G221-C224 VanDerWaalsContact O-N 3.16Å; A222-C224 PolarHBondContact O-N 2.89Å; C224-D376 HydrophobicContact CB-CB 4.4Å; C224-D376 WeakPolarHBondContact O-CB 3.3Å; C224-E377 WeakPolarHBondContact O-CB 3.43Å; C224-E377 WeakPolarHBondContact O-CG 3.38Å; C224-E377 PolarHBondContact O-N 3.19Å; C224-R378 VanDerWaalsContact SG-CD 3.58Å
225	F	95.5	Very high	95.9	Very high	14 Å²	14	53.6 Å²	53.6	6%	0.061	29%	0.288	C	S	.	.	S	Bend	trans	-128.9	135.3	-177.5	-50.6	-90.5	0	0	0	110.3	V145 T187 A222 E223 D227 D376	V145-F225 HydrophobicContact CG1-CE2 4.04Å; V145-F225 HydrophobicContact CG1-CZ 3.85Å; V145-F225 HydrophobicContact CG2-CE2 4.12Å; T187-F225 HydrophobicContact CG2-CE1 4.06Å; T187-F225 HydrophobicContact CG2-CZ 3.65Å; A222-F225 PolarHBondContact O-N 2.84Å; A222-F225 VanDerWaalsContact O-O 3.08Å; E223-F225 PolarHBondContact O-N 3.2Å; F225-D227 VanDerWaalsContact C-N 3.29Å; F225-D227 PolarHBondContact O-N 3.31Å; F225-D376 HydrophobicContact CD1-CB 3.87Å; F225-D376 HydrophobicContact CE1-CB 3.45Å; F225-D376 VanDerWaalsContact CE1-CB 3.45Å; F225-D376 HydrophobicContact CZ-CB 3.84Å
226	T	91.5	Very high	95.9	Very high	120 Å²	120	53.2 Å²	53.2	74%	0.736	29%	0.287	S	S	*	.	S	Bend	trans	-62.4	-36.2	178.4	-39.8	0	0	0	0	112.8	E377	T226-E377 PolarHBondContact OG1-OE1 3.24Å
227	D	94.7	Very high	96	Very high	66 Å²	66	53.5 Å²	53.5	35%	0.353	29%	0.289	S	S	.	.	S	Bend	trans	-157.5	172.4	-175.9	61.3	-17.8	0	0	0	112.4	G175 F225 K229	G175-D227 PolarHBondContact N-O 3.43Å; G175-D227 VanDerWaalsContact N-O 3.1Å; F225-D227 VanDerWaalsContact C-N 3.29Å; F225-D227 PolarHBondContact O-N 3.31Å; D227-K229 WeakPolarHBondContact OD1-CE 3.32Å; D227-K229 IonicContact OD1-NZ 3.28Å; D227-K229 WeakPolarHBondContact OD2-CE 3.33Å; D227-K229 IonicContact OD2-NZ 2.73Å
228	L	97.6	Very high	96	Very high	44 Å²	44	53 Å²	53	23%	0.23	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.5	169.1	179.9	68.3	0	0	0	110.3	C168 E169 G175 V230	C168-L228 HydrophobicContact CB-CD1 3.79Å; C168-L228 HydrophobicContact CB-CD2 3.48Å; C168-L228 VanDerWaalsContact CB-CD2 3.48Å; C168-L228 HydrophobicContact CB-CG 4.29Å; E169-L228 HydrophobicContact CG-CD2 4.04Å; G175-L228 CarbonylContact O-C 3.58Å; G175-L228 WeakPolarHBondContact O-CA 3.47Å; L228-V230 HydrophobicContact CD1-CG2 3.96Å; L228-V230 HydrophobicContact CD2-CG2 4.26Å; L228-V230 HydrophobicContact CG-CG2 4Å
229	K	98	Very high	96	Very high	115 Å²	115	52 Å²	52	50%	0.5	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	106.3	173.9	-63.5	-175.1	-179.3	165.3	0	110.7	G175 K176 I177 D227	G175-K229 PolarHBondContact O-N 2.92Å; K176-K229 CarbonylContact C-O 3.41Å; K176-K229 VanDerWaalsContact CA-O 3.29Å; K176-K229 WeakPolarHBondContact CA-O 3.33Å; K176-K229 HydrophobicContact CG-CB 4.34Å; I177-K229 PolarHBondContact N-O 3.21Å; D227-K229 WeakPolarHBondContact OD1-CE 3.32Å; D227-K229 IonicContact OD1-NZ 3.28Å; D227-K229 WeakPolarHBondContact OD2-CE 3.33Å; D227-K229 IonicContact OD2-NZ 2.73Å
230	V	98.3	Very high	95.9	Very high	30 Å²	30	47.7 Å²	47.7	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.4	172.1	-170.2	0	0	0	0	108.1	Q164 K165 I177 L228	Q164-V230 HydrophobicContact CB-CG1 3.85Å; K165-V230 HydrophobicContact CB-CB 4.3Å; K165-V230 HydrophobicContact CB-CG2 4.33Å; I177-V230 HydrophobicContact CB-CB 4.44Å; I177-V230 HydrophobicContact CB-CG1 4.05Å; I177-V230 HydrophobicContact CB-CG2 4.17Å; I177-V230 HydrophobicContact CD1-CG2 4.18Å; I177-V230 HydrophobicContact CG1-CG2 4.45Å; I177-V230 HydrophobicContact CG2-CG1 4.2Å; I177-V230 WeakPolarHBondContact O-CA 3.21Å; L228-V230 HydrophobicContact CD1-CG2 3.96Å; L228-V230 HydrophobicContact CD2-CG2 4.26Å; L228-V230 HydrophobicContact CG-CG2 4Å
231	G	97.7	Very high	95.8	Very high	16 Å²	16	48 Å²	48	17%	0.165	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	153.8	-178.9	0	0	0	0	0	114	I177 V179 F233	I177-G231 PolarHBondContact O-N 3.17Å; V179-G231 PolarHBondContact N-O 3.34Å; G231-F233 WeakPolarHBondContact O-CD2 3.4Å; G231-F233 WeakPolarHBondContact O-CE2 3.32Å
232	V	98.3	Very high	95.5	Very high	48 Å²	48	50.9 Å²	50.9	29%	0.291	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132	170.6	-179	0	0	0	0	109.4	P157 C161 V179	P157-V232 HydrophobicContact CB-CG1 3.78Å; P157-V232 HydrophobicContact CB-CG2 4.22Å; C161-V232 HydrophobicContact CB-CG2 3.57Å; V179-V232 CarbonylContact O-C 3.52Å; V179-V232 VanDerWaalsContact O-CA 3.29Å; V179-V232 WeakPolarHBondContact O-CA 3.48Å
233	F	96.9	Very high	95.3	Very high	91 Å²	91	50.6 Å²	50.6	40%	0.399	28%	0.28	S	S	.	.			trans	-134	167.7	-180	-61.6	-85.3	0	0	0	110.3	R178 V179 A180 G231 E235	R178-F233 HydrophobicContact CB-CD2 3.75Å; R178-F233 HydrophobicContact CB-CE2 4.13Å; R178-F233 HydrophobicContact CG-CD2 3.79Å; R178-F233 HydrophobicContact CG-CE2 3.75Å; V179-F233 PolarHBondContact O-N 3.09Å; A180-F233 WeakPolarHBondContact CA-O 3.48Å; A180-F233 WeakPolarHBondContact CB-O 3.37Å; G231-F233 WeakPolarHBondContact O-CD2 3.4Å; G231-F233 WeakPolarHBondContact O-CE2 3.32Å; F233-E235 VanDerWaalsContact C-N 3.35Å
234	K	94.8	Very high	95	Very high	132 Å²	132	51.9 Å²	51.9	57%	0.574	29%	0.291	S	S	*	.	S	Bend	trans	-68.8	-35.5	172.2	-171.6	170.7	-177.6	170.8	0	112.6	D242	K234-D242 VanDerWaalsContact CE-OD2 3.3Å; K234-D242 WeakPolarHBondContact CE-OD2 3.38Å; K234-D242 IonicContact NZ-OD1 2.66Å; K234-D242 IonicContact NZ-OD2 3.09Å; K234-D242 PolarHBondContact NZ-OD2 2.95Å
235	E	96.9	Very high	94.9	Very high	18 Å²	18	55.1 Å²	55.1	8%	0.084	32%	0.318	C	S	.	.			trans	-131.7	139.1	-178.3	-61.1	170.8	-90.9	0	0	109.9	E182 F233 V237 M239 G240 P243	E182-E235 WeakPolarHBondContact OE1-CA 3.13Å; F233-E235 VanDerWaalsContact C-N 3.35Å; E235-V237 WeakPolarHBondContact CB-O 3.41Å; E235-V237 PolarHBondContact O-N 2.89Å; E235-M239 WeakPolarHBondContact OE2-CA 3.44Å; E235-M239 WeakPolarHBondContact OE2-CB 3.47Å; E235-M239 PolarHBondContact OE2-N 2.94Å; E235-G240 PolarHBondContact OE1-N 3.35Å; E235-G240 VanDerWaalsContact OE1-N 3.08Å; E235-G240 PolarHBondContact OE2-N 3.32Å; E235-P243 HydrophobicContact CG-CG 4Å
236	I	97.5	Very high	94.7	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-72.7	-21.3	173.6	59.8	171.8	0	0	0	112.4	Y151 R178 A180 E182 G183 N185 I331	Y151-I236 HydrophobicContact CD1-CD1 3.75Å; Y151-I236 HydrophobicContact CD1-CG1 4.34Å; Y151-I236 HydrophobicContact CD2-CD1 4.25Å; Y151-I236 HydrophobicContact CE1-CD1 3.55Å; Y151-I236 HydrophobicContact CE1-CG1 3.73Å; Y151-I236 HydrophobicContact CE2-CD1 4.05Å; Y151-I236 HydrophobicContact CG-CD1 4.1Å; R178-I236 WeakPolarHBondContact CD-O 3.48Å; A180-I236 HydrophobicContact CB-CG2 3.65Å; E182-I236 HydrophobicContact CG-CG1 4.29Å; E182-I236 HydrophobicContact CG-CG2 4.48Å; E182-I236 PolarHBondContact OE1-N 3.22Å; G183-I236 VanDerWaalsContact C-CG2 3.41Å; G183-I236 WeakPolarHBondContact O-CG2 3.41Å; N185-I236 HydrophobicContact CB-CB 3.91Å; N185-I236 HydrophobicContact CB-CD1 4.5Å; N185-I236 PolarHBondContact ND2-O 3.28Å; I236-I331 HydrophobicContact CD1-CD1 4.1Å; I236-I331 HydrophobicContact CG1-CD1 4.13Å
237	V	97.1	Very high	94.8	Very high	13 Å²	13	51 Å²	51	8%	0.079	30%	0.295	C	S	.	.	S	Bend	trans	-137.3	118.3	165.2	64.5	0	0	0	0	108.9	Y151 E235 M239 F304 I331 R332 R335	Y151-V237 VanDerWaalsContact OH-CG1 3.26Å; Y151-V237 WeakPolarHBondContact OH-CG1 3.43Å; E235-V237 WeakPolarHBondContact CB-O 3.41Å; E235-V237 PolarHBondContact O-N 2.89Å; V237-M239 PolarHBondContact O-N 3.23Å; V237-F304 HydrophobicContact CG1-CE1 4.43Å; V237-F304 HydrophobicContact CG2-CD1 4Å; V237-F304 HydrophobicContact CG2-CE1 4.36Å; V237-I331 HydrophobicContact CB-CD1 3.92Å; V237-I331 HydrophobicContact CB-CG1 4.14Å; V237-I331 HydrophobicContact CG1-CD1 4.22Å; V237-I331 HydrophobicContact CG1-CG1 3.96Å; V237-R332 HydrophobicContact CG2-CG 3.71Å; V237-R335 HydrophobicContact CG1-CG 4.03Å
238	P	95.4	Very high	94.8	Very high	53 Å²	53	49.6 Å²	49.6	34%	0.344	29%	0.285	S	S	.	.			trans	-72.9	99.6	-172.3	27.8	-33.6	0	0	0	111.5	S305	P238-S305 PolarHBondContact O-N 2.99Å
239	M	95.6	Very high	94.7	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.			trans	-89	-16.9	168	-166.6	170	72	0	0	111.2	E235 V237 V241 F304 S305 P308 R335 Y339	E235-M239 WeakPolarHBondContact OE2-CA 3.44Å; E235-M239 WeakPolarHBondContact OE2-CB 3.47Å; E235-M239 PolarHBondContact OE2-N 2.94Å; V237-M239 PolarHBondContact O-N 3.23Å; M239-V241 HydrophobicContact CE-CB 3.71Å; M239-V241 HydrophobicContact CE-CG1 4.29Å; M239-V241 HydrophobicContact CE-CG2 4.02Å; M239-V241 PolarHBondContact O-N 3.27Å; M239-F304 HydrophobicContact CB-CD1 4.01Å; M239-F304 HydrophobicContact CB-CE1 3.63Å; M239-F304 HydrophobicContact CB-CZ 4.45Å; M239-F304 HydrophobicContact CG-CD1 4.26Å; M239-F304 HydrophobicContact CG-CE1 3.72Å; M239-F304 HydrophobicContact CG-CZ 4.07Å; M239-F304 HydrophobicContact SD-CE1 4.1Å; M239-F304 HydrophobicContact SD-CZ 4.02Å; M239-S305 VanDerWaalsContact O-CA 3.26Å; M239-S305 WeakPolarHBondContact O-CA 3.12Å; M239-P308 HydrophobicContact CG-CG 3.65Å; M239-P308 HydrophobicContact SD-CG 4.33Å; M239-R335 HydrophobicContact CE-CB 4.04Å; M239-R335 HydrophobicContact SD-CB 3.61Å; M239-Y339 HydrophobicContact CE-CD2 4.15Å; M239-Y339 HydrophobicContact CE-CG 4.43Å
240	G	92.5	Very high	94.5	Very high	58 Å²	58	52.6 Å²	52.6	60%	0.598	30%	0.3	S	S	*	.	S	Bend	trans	75.7	12.3	179.3	0	0	0	0	0	113.7	E235	E235-G240 PolarHBondContact OE1-N 3.35Å; E235-G240 VanDerWaalsContact OE1-N 3.08Å; E235-G240 PolarHBondContact OE2-N 3.32Å
241	V	92	Very high	94.4	Very high	25 Å²	25	51.9 Å²	51.9	15%	0.152	30%	0.297	C	S	.	.	S	Bend	trans	-114.9	133.8	171.9	176.6	0	0	0	0	106.9	M239 A245 V246 P308 R335 Y339	M239-V241 HydrophobicContact CE-CB 3.71Å; M239-V241 HydrophobicContact CE-CG1 4.29Å; M239-V241 HydrophobicContact CE-CG2 4.02Å; M239-V241 PolarHBondContact O-N 3.27Å; V241-A245 HydrophobicContact CG1-CB 4.28Å; V241-V246 HydrophobicContact CG1-CB 4.07Å; V241-V246 HydrophobicContact CG1-CG2 3.87Å; V241-P308 HydrophobicContact CG2-CB 3.91Å; V241-P308 HydrophobicContact CG2-CG 3.58Å; V241-R335 PolarHBondContact O-NH2 3.02Å; V241-Y339 HydrophobicContact CG2-CD2 4.19Å; V241-Y339 HydrophobicContact CG2-CE2 3.97Å
242	D	91.2	Very high	94.3	Very high	61 Å²	61	51.3 Å²	51.3	33%	0.326	29%	0.291	S	S	.	.			trans	-54.7	131.4	179.9	-155.9	-47.5	0	0	0	111.6	K234 D244 A245 V246 R335	K234-D242 VanDerWaalsContact CE-OD2 3.3Å; K234-D242 WeakPolarHBondContact CE-OD2 3.38Å; K234-D242 IonicContact NZ-OD1 2.66Å; K234-D242 IonicContact NZ-OD2 3.09Å; K234-D242 PolarHBondContact NZ-OD2 2.95Å; D242-D244 PolarHBondContact O-N 2.94Å; D242-D244 PolarHBondContact OD1-N 3.46Å; D242-D244 VanDerWaalsContact OD1-N 3.08Å; D242-A245 HydrophobicContact CB-CB 3.99Å; D242-A245 PolarHBondContact O-N 2.82Å; D242-V246 PolarHBondContact O-N 3.26Å; D242-V246 VanDerWaalsContact O-N 3.14Å; D242-R335 PolarHBondContact O-NH2 3.28Å
243	P	89.9	Confident	94.3	Very high	22 Å²	22	53.1 Å²	53.1	14%	0.143	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.2	172.6	-27.9	36.5	0	0	0	115.8	E235 V246 R335	E235-P243 HydrophobicContact CG-CG 4Å; P243-V246 CarbonylContact O-C 3.56Å; P243-R335 VanDerWaalsContact CA-NH1 3.3Å
244	D	89.1	Confident	94.4	Very high	157 Å²	157	52.6 Å²	52.6	84%	0.84	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-26.3	176	-65.5	-28.1	0	0	0	112.5	D242	D242-D244 PolarHBondContact O-N 2.94Å; D242-D244 PolarHBondContact OD1-N 3.46Å; D242-D244 VanDerWaalsContact OD1-N 3.08Å
245	A	91.8	Very high	94.6	Very high	74 Å²	74	46.9 Å²	46.9	61%	0.612	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-40.8	177.6	0	0	0	0	0	112	V241 D242	V241-A245 HydrophobicContact CG1-CB 4.28Å; D242-A245 HydrophobicContact CB-CB 3.99Å; D242-A245 PolarHBondContact O-N 2.82Å
246	V	92.8	Very high	94.6	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	29%	0.289	C	S	.	.	S	Bend	trans	-135	109.6	175.9	178.8	0	0	0	0	108.3	V241 D242 P243 R335 A338 Y339	V241-V246 HydrophobicContact CG1-CB 4.07Å; V241-V246 HydrophobicContact CG1-CG2 3.87Å; D242-V246 PolarHBondContact O-N 3.26Å; D242-V246 VanDerWaalsContact O-N 3.14Å; P243-V246 CarbonylContact O-C 3.56Å; V246-R335 PolarHBondContact O-NH1 3.21Å; V246-R335 PolarHBondContact O-NH2 3.08Å; V246-A338 HydrophobicContact CG1-CB 3.9Å; V246-Y339 HydrophobicContact CG2-CD2 4.08Å
247	S	93.7	Very high	94.7	Very high	37 Å²	37	49.9 Å²	49.9	26%	0.259	29%	0.294	S	S	.	.			trans	-84.1	140.7	-179.9	-174.5	0	0	0	0	111.6	K249 L250 A338	S247-K249 PolarHBondContact O-N 2.85Å; S247-K249 PolarHBondContact OG-N 2.91Å; S247-L250 PolarHBondContact O-N 2.99Å; S247-A338 WeakPolarHBondContact O-CB 3.4Å
248	Y	94.3	Very high	94.7	Very high	37 Å²	37	52.5 Å²	52.5	15%	0.145	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.6	-20.8	169.6	70.8	-93.1	0	0	0	112.8	Y151 E182 L250 A251	Y151-Y248 VanDerWaalsContact CB-CE2 3.49Å; Y151-Y248 AromaticContact CD1-CD1 3.61Å; Y151-Y248 HydrophobicContact CD1-CD1 3.61Å; Y151-Y248 HydrophobicContact CD1-CD2 4.09Å; Y151-Y248 HydrophobicContact CD1-CE1 4.22Å; Y151-Y248 AromaticContact CD1-CG 3.54Å; Y151-Y248 HydrophobicContact CD1-CG 3.54Å; Y151-Y248 HydrophobicContact CE1-CD1 4.36Å; Y151-Y248 HydrophobicContact CE1-CG 4.23Å; Y151-Y248 HydrophobicContact CG-CD1 4.21Å; Y151-Y248 AromaticContact CG-CD2 3.87Å; Y151-Y248 HydrophobicContact CG-CD2 3.87Å; Y151-Y248 HydrophobicContact CG-CE2 4.33Å; Y151-Y248 AromaticContact CG-CG 3.81Å; Y151-Y248 HydrophobicContact CG-CG 3.81Å; E182-Y248 HydrophobicContact CB-CD1 4.38Å; E182-Y248 HydrophobicContact CB-CE1 4.37Å; Y248-L250 PolarHBondContact O-N 2.96Å; Y248-A251 VanDerWaalsContact O-CB 3.23Å; Y248-A251 WeakPolarHBondContact O-CB 3.44Å; Y248-A251 PolarHBondContact O-N 3.38Å
249	K	94.7	Very high	94.9	Very high	136 Å²	136	54.4 Å²	54.4	59%	0.591	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-64.8	-16.7	175.9	-64.2	178.6	-179.2	174.7	0	113.3	S247 A251	S247-K249 PolarHBondContact O-N 2.85Å; S247-K249 PolarHBondContact OG-N 2.91Å; K249-A251 VanDerWaalsContact C-N 3.28Å
250	L	95.1	Very high	95	Very high	85 Å²	85	54.4 Å²	54.4	45%	0.445	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-89.9	13.1	174	-63.9	176.2	0	0	0	112.8	S247 Y248 A338 R341	S247-L250 PolarHBondContact O-N 2.99Å; Y248-L250 PolarHBondContact O-N 2.96Å; L250-A338 HydrophobicContact CB-CB 3.97Å; L250-A338 WeakPolarHBondContact O-CA 3.4Å; L250-R341 WeakPolarHBondContact O-CD 3.41Å; L250-R341 PolarHBondContact O-NH1 2.81Å
251	A	96.1	Very high	95.3	Very high	15 Å²	15	53.1 Å²	53.1	12%	0.124	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-54.1	157.8	179.3	0	0	0	0	0	113	Y248 K249 S337 R341	Y248-A251 VanDerWaalsContact O-CB 3.23Å; Y248-A251 WeakPolarHBondContact O-CB 3.44Å; Y248-A251 PolarHBondContact O-N 3.38Å; K249-A251 VanDerWaalsContact C-N 3.28Å; A251-S337 WeakPolarHBondContact CA-OG 3.19Å; A251-R341 PolarHBondContact O-NH1 3.45Å
252	G	95.6	Very high	95.5	Very high	4 Å²	4	58.3 Å²	58.3	4%	0.041	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-67.7	166.9	173.2	0	0	0	0	0	112.3	H254 S337 V349 Q351	G252-H254 PolarHBondContact O-N 3.03Å; G252-S337 PolarHBondContact N-OG 3.16Å; G252-V349 CarbonylContact C-O 3.57Å; G252-V349 VanDerWaalsContact CA-O 3.23Å; G252-V349 WeakPolarHBondContact CA-O 3.24Å; G252-Q351 PolarHBondContact O-NE2 2.94Å; G252-Q351 VanDerWaalsContact O-NE2 3.16Å
253	T	98.2	Very high	95.7	Very high	86 Å²	86	58 Å²	58	53%	0.528	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	123.1	-180	-57.6	0	0	0	0	110.1	L255 V349 Y350 Q351	T253-L255 PolarHBondContact O-N 3.15Å; T253-V349 PolarHBondContact N-O 3.34Å; T253-Y350 HydrophobicContact CG2-CD1 3.94Å; T253-Y350 HydrophobicContact CG2-CE1 3.96Å; T253-Y350 CarbonylContact O-C 3.53Å; T253-Y350 WeakPolarHBondContact O-CA 3.46Å; T253-Q351 PolarHBondContact O-N 3.45Å
254	H	98.3	Very high	96	Very high	80 Å²	80	57 Å²	57	37%	0.37	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.5	174.6	-64.4	81.8	0	0	0	110.6	G252 E334 Q351 K353	G252-H254 PolarHBondContact O-N 3.03Å; H254-E334 IonicContact CD2-OE1 2.92Å; H254-E334 IonicContact CE1-OE1 3.9Å; H254-E334 IonicContact CE1-OE2 3.54Å; H254-E334 PolarHBondContact CE1-OE2 3.37Å; H254-E334 IonicContact NE2-OE1 2.88Å; H254-E334 PolarHBondContact NE2-OE1 2.52Å; H254-E334 IonicContact NE2-OE2 3.32Å; H254-E334 PolarHBondContact NE2-OE2 3.2Å; H254-E334 VanDerWaalsContact NE2-OE2 3.15Å; H254-Q351 WeakPolarHBondContact CA-O 3.49Å; H254-Q351 PolarHBondContact CD2-NE2 2.79Å; H254-Q351 PolarHBondContact CE1-NE2 3.38Å; H254-Q351 PolarHBondContact NE2-NE2 2.85Å; H254-K353 HydrophobicContact CB-CB 4.31Å
255	L	98.6	Very high	96.3	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.6	167.6	-62.8	-179.7	0	0	0	108.5	T253 E259 F260 E263 L324 Y350 Q351 K353	T253-L255 PolarHBondContact O-N 3.15Å; L255-E259 HydrophobicContact CB-CB 4.09Å; L255-E259 HydrophobicContact CD2-CB 4.14Å; L255-F260 HydrophobicContact CB-CB 4.16Å; L255-F260 HydrophobicContact CB-CD2 4.47Å; L255-F260 HydrophobicContact CD1-CD2 4.28Å; L255-E263 HydrophobicContact CD1-CG 4.01Å; L255-L324 HydrophobicContact CD1-CD2 4.1Å; L255-Y350 HydrophobicContact CD1-CD1 3.92Å; L255-Y350 HydrophobicContact CD1-CG 3.9Å; L255-Y350 HydrophobicContact CD2-CD1 3.67Å; L255-Y350 HydrophobicContact CD2-CE1 4.13Å; L255-Y350 HydrophobicContact CD2-CG 4.49Å; L255-Y350 HydrophobicContact CG-CD1 3.76Å; L255-Y350 HydrophobicContact CG-CG 4.17Å; L255-Q351 PolarHBondContact N-O 3.35Å; L255-K353 WeakPolarHBondContact O-CB 3.45Å; L255-K353 PolarHBondContact O-N 2.93Å
256	D	98.3	Very high	96.4	Very high	65 Å²	65	53.1 Å²	53.1	35%	0.348	27%	0.27	S	S	.	.			trans	-65.6	159.6	169.2	-74.2	-39.5	0	0	0	109.8	E258 E259 F260 K353	D256-E258 PolarHBondContact O-N 3.08Å; D256-E258 VanDerWaalsContact O-N 3.1Å; D256-E259 PolarHBondContact N-OE2 3.33Å; D256-E259 PolarHBondContact O-N 3.5Å; D256-F260 PolarHBondContact O-N 3.01Å; D256-K353 WeakPolarHBondContact OD1-CD 3.35Å; D256-K353 WeakPolarHBondContact OD1-CE 3.41Å; D256-K353 IonicContact OD1-NZ 3.68Å; D256-K353 PolarHBondContact OD1-NZ 2.83Å
257	P	97.9	Very high	96.4	Very high	17 Å²	17	53.4 Å²	53.4	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-50.3	-39.7	-175	-32	38.1	0	0	0	114.9	H261 K358 R362 F363	P257-H261 VanDerWaalsContact O-CB 3.31Å; P257-H261 WeakPolarHBondContact O-CB 3.46Å; P257-H261 PolarHBondContact O-N 3.2Å; P257-K358 HydrophobicContact CG-CB 4.22Å; P257-R362 HydrophobicContact CB-CB 4.09Å; P257-R362 HydrophobicContact CB-CG 4.27Å; P257-F363 HydrophobicContact CB-CE2 4.24Å; P257-F363 WeakPolarHBondContact O-CE2 3.12Å
258	E	98.5	Very high	96.2	Very high	67 Å²	67	53 Å²	53	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-66.5	-42.1	178.6	-70.5	86.9	161.4	0	0	113.1	D256 H261 K262 R362 F363	D256-E258 PolarHBondContact O-N 3.08Å; D256-E258 VanDerWaalsContact O-N 3.1Å; E258-H261 PolarHBondContact O-N 2.86Å; E258-K262 WeakPolarHBondContact O-CG 3.18Å; E258-K262 PolarHBondContact O-N 3.47Å; E258-R362 IonicContact OE1-CZ 3.65Å; E258-R362 VanDerWaalsContact OE1-CZ 3.24Å; E258-R362 IonicContact OE1-NE 3.88Å; E258-R362 PolarHBondContact OE1-NE 2.9Å; E258-R362 IonicContact OE1-NH2 2.69Å; E258-R362 PolarHBondContact OE1-NH2 2.75Å; E258-F363 HydrophobicContact CB-CZ 4.49Å; E258-F363 HydrophobicContact CG-CE2 4.35Å; E258-F363 HydrophobicContact CG-CZ 4.06Å
259	E	98.5	Very high	96	Very high	94 Å²	94	54.7 Å²	54.7	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-67.5	-45.5	178.1	-61.4	176.7	127.6	0	0	109.7	L255 D256 H261 K262 E263	L255-E259 HydrophobicContact CB-CB 4.09Å; L255-E259 HydrophobicContact CD2-CB 4.14Å; D256-E259 PolarHBondContact N-OE2 3.33Å; D256-E259 PolarHBondContact O-N 3.5Å; E259-H261 VanDerWaalsContact C-N 3.31Å; E259-H261 PolarHBondContact O-N 2.79Å; E259-K262 PolarHBondContact O-N 2.92Å; E259-E263 WeakPolarHBondContact O-CG 3.41Å; E259-E263 PolarHBondContact O-N 2.92Å
260	F	98.4	Very high	95.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-40.9	176.1	-167.3	-90.4	0	0	0	111.9	L255 D256 K262 E263 V264 L279 F293 L324 Y326 L352 Y359	L255-F260 HydrophobicContact CB-CB 4.16Å; L255-F260 HydrophobicContact CB-CD2 4.47Å; L255-F260 HydrophobicContact CD1-CD2 4.28Å; D256-F260 PolarHBondContact O-N 3.01Å; F260-K262 PolarHBondContact O-N 3.29Å; F260-E263 PolarHBondContact O-N 3.19Å; F260-V264 HydrophobicContact CD1-CG2 3.82Å; F260-V264 HydrophobicContact CE1-CG2 3.53Å; F260-V264 HydrophobicContact CZ-CG2 4.2Å; F260-V264 WeakPolarHBondContact O-CG2 3.36Å; F260-V264 PolarHBondContact O-N 2.9Å; F260-L279 HydrophobicContact CE1-CD1 4.11Å; F260-L279 HydrophobicContact CE2-CD1 4.44Å; F260-L279 HydrophobicContact CZ-CD1 3.53Å; F260-F293 HydrophobicContact CD1-CZ 4.45Å; F260-F293 HydrophobicContact CE1-CE1 4.14Å; F260-F293 HydrophobicContact CE1-CE2 4.18Å; F260-F293 AromaticContact CE1-CZ 3.87Å; F260-F293 HydrophobicContact CE1-CZ 3.87Å; F260-L324 HydrophobicContact CE2-CB 3.88Å; F260-L324 HydrophobicContact CZ-CB 4.29Å; F260-Y326 HydrophobicContact CZ-CD1 4.29Å; F260-L352 HydrophobicContact CB-CD1 3.73Å; F260-L352 HydrophobicContact CD1-CB 4.41Å; F260-L352 HydrophobicContact CD1-CD1 4.03Å; F260-L352 HydrophobicContact CD1-CD2 4.23Å; F260-L352 HydrophobicContact CD1-CG 4.45Å; F260-L352 HydrophobicContact CD2-CB 3.72Å; F260-L352 HydrophobicContact CD2-CD1 4.24Å; F260-L352 HydrophobicContact CD2-CG 4.48Å; F260-L352 HydrophobicContact CE1-CB 4.42Å; F260-L352 HydrophobicContact CE1-CD2 4.19Å; F260-L352 HydrophobicContact CE2-CB 3.73Å; F260-L352 HydrophobicContact CG-CB 4.06Å; F260-L352 HydrophobicContact CG-CD1 3.75Å; F260-L352 HydrophobicContact CG-CG 4.33Å; F260-L352 HydrophobicContact CZ-CB 4.09Å; F260-Y359 HydrophobicContact CD1-CD2 4.29Å; F260-Y359 HydrophobicContact CD1-CE2 4.38Å
261	H	97.9	Very high	93.8	Very high	30 Å²	30	57.6 Å²	57.6	14%	0.139	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-46	176.3	-171.6	104.8	0	0	0	111.8	P257 E258 E259 E263 V264 E265 Y359 F363 F367	P257-H261 VanDerWaalsContact O-CB 3.31Å; P257-H261 WeakPolarHBondContact O-CB 3.46Å; P257-H261 PolarHBondContact O-N 3.2Å; E258-H261 PolarHBondContact O-N 2.86Å; E259-H261 VanDerWaalsContact C-N 3.31Å; E259-H261 PolarHBondContact O-N 2.79Å; H261-E263 VanDerWaalsContact C-N 3.33Å; H261-E263 PolarHBondContact O-N 3.38Å; H261-V264 PolarHBondContact O-N 3.43Å; H261-E265 WeakPolarHBondContact O-CB 3.07Å; H261-E265 PolarHBondContact O-N 3.14Å; H261-Y359 HydrophobicContact CB-CE2 3.93Å; H261-Y359 AromaticContact ND1-CE2 3.76Å; H261-Y359 AromaticContact ND1-CZ 3.64Å; H261-Y359 PolarHBondContact ND1-OH 2.79Å; H261-F363 HydrophobicContact CB-CD2 4.12Å; H261-F363 HydrophobicContact CB-CE1 4.32Å; H261-F363 HydrophobicContact CB-CE2 3.65Å; H261-F363 HydrophobicContact CB-CZ 3.76Å; H261-F363 AromaticContact CE1-CD1 3.61Å; H261-F363 AromaticContact CE1-CE1 3.97Å; H261-F363 AromaticContact CE1-CG 3.98Å; H261-F363 AromaticContact CG-CE1 3.85Å; H261-F363 AromaticContact CG-CE2 3.99Å; H261-F363 AromaticContact CG-CZ 3.81Å; H261-F363 AromaticContact ND1-CD1 3.37Å; H261-F363 WeakPolarHBondContact ND1-CD1 3.32Å; H261-F363 AromaticContact ND1-CD2 3.68Å; H261-F363 AromaticContact ND1-CE1 3.64Å; H261-F363 AromaticContact ND1-CE2 3.94Å; H261-F363 AromaticContact ND1-CG 3.38Å; H261-F363 WeakPolarHBondContact ND1-CG 3.31Å; H261-F363 AromaticContact ND1-CZ 3.91Å; H261-F367 AromaticContact CD2-CE2 3.63Å; H261-F367 AromaticContact CE1-CD2 3.83Å; H261-F367 AromaticContact CE1-CE2 3.5Å; H261-F367 AromaticContact ND1-CE2 3.97Å; H261-F367 AromaticContact NE2-CE2 3.28Å; H261-F367 VanDerWaalsContact NE2-CE2 3.28Å; H261-F367 WeakPolarHBondContact NE2-CE2 2.89Å; H261-F367 AromaticContact NE2-CZ 3.77Å
262	K	97.3	Very high	92.1	Very high	135 Å²	135	64.9 Å²	64.9	59%	0.587	33%	0.333	S	S	*	.	H	α-helix	trans	-62.6	-40	177.6	-70.7	171.9	-177.6	175	0	112.2	E258 E259 F260 E265 A266	E258-K262 WeakPolarHBondContact O-CG 3.18Å; E258-K262 PolarHBondContact O-N 3.47Å; E259-K262 PolarHBondContact O-N 2.92Å; F260-K262 PolarHBondContact O-N 3.29Å; K262-E265 PolarHBondContact O-N 3.29Å; K262-A266 WeakPolarHBondContact O-CB 3.42Å; K262-A266 PolarHBondContact O-N 3.42Å
263	E	95.9	Very high	90	Very high	55 Å²	55	68.4 Å²	68.4	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-65.4	-41.3	177.1	-69.7	-67.7	177.2	0	0	112.1	L255 E259 F260 H261 A266 L267 K322 L324	L255-E263 HydrophobicContact CD1-CG 4.01Å; E259-E263 WeakPolarHBondContact O-CG 3.41Å; E259-E263 PolarHBondContact O-N 2.92Å; F260-E263 PolarHBondContact O-N 3.19Å; H261-E263 VanDerWaalsContact C-N 3.33Å; H261-E263 PolarHBondContact O-N 3.38Å; E263-A266 PolarHBondContact O-N 3.07Å; E263-L267 WeakPolarHBondContact O-CB 3.45Å; E263-L267 PolarHBondContact O-N 3.47Å; E263-K322 IonicContact OE1-NZ 2.65Å; E263-K322 PolarHBondContact OE1-NZ 3.09Å; E263-K322 VanDerWaalsContact OE2-CE 3.3Å; E263-K322 WeakPolarHBondContact OE2-CE 3.21Å; E263-K322 IonicContact OE2-NZ 2.79Å; E263-K322 PolarHBondContact OE2-NZ 2.63Å; E263-L324 HydrophobicContact CB-CD1 3.68Å; E263-L324 HydrophobicContact CB-CD2 4.06Å; E263-L324 HydrophobicContact CG-CD2 4.36Å
264	V	95.6	Very high	88	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-41.1	173.6	176.7	0	0	0	0	111.1	F260 H261 A266 L267 L268 L279 L324 F367	F260-V264 HydrophobicContact CD1-CG2 3.82Å; F260-V264 HydrophobicContact CE1-CG2 3.53Å; F260-V264 HydrophobicContact CZ-CG2 4.2Å; F260-V264 WeakPolarHBondContact O-CG2 3.36Å; F260-V264 PolarHBondContact O-N 2.9Å; H261-V264 PolarHBondContact O-N 3.43Å; V264-A266 PolarHBondContact O-N 2.69Å; V264-L267 WeakPolarHBondContact O-CB 3.29Å; V264-L267 PolarHBondContact O-N 2.88Å; V264-L268 HydrophobicContact CG1-CD1 4.07Å; V264-L268 HydrophobicContact CG1-CG 4.37Å; V264-L268 VanDerWaalsContact O-CG 3.29Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.05Å; V264-L279 HydrophobicContact CG1-CD2 4.23Å; V264-L279 HydrophobicContact CG2-CD1 4.15Å; V264-L279 HydrophobicContact CG2-CD2 4.06Å; V264-L324 HydrophobicContact CG2-CD1 4.43Å; V264-F367 HydrophobicContact CB-CD2 3.92Å; V264-F367 HydrophobicContact CB-CE2 4.43Å; V264-F367 HydrophobicContact CG1-CB 3.78Å; V264-F367 HydrophobicContact CG1-CD2 3.49Å; V264-F367 VanDerWaalsContact CG1-CD2 3.49Å; V264-F367 HydrophobicContact CG1-CE2 4.26Å; V264-F367 HydrophobicContact CG1-CG 3.76Å
265	E	95.2	Very high	86.6	Confident	107 Å²	107	70 Å²	70	50%	0.5	37%	0.372	S	S	.	.	H	α-helix	trans	-58.8	-46.9	175.3	-175.1	174.2	-130.8	0	0	111.4	H261 K262 L267 L268 A269 F367	H261-E265 WeakPolarHBondContact O-CB 3.07Å; H261-E265 PolarHBondContact O-N 3.14Å; K262-E265 PolarHBondContact O-N 3.29Å; E265-L267 PolarHBondContact O-N 3.33Å; E265-L268 PolarHBondContact O-N 2.98Å; E265-L268 VanDerWaalsContact O-N 3.14Å; E265-A269 WeakPolarHBondContact O-CB 3.48Å; E265-A269 PolarHBondContact O-N 2.62Å; E265-F367 HydrophobicContact CB-CE2 3.77Å; E265-F367 HydrophobicContact CB-CZ 3.78Å; E265-F367 HydrophobicContact CG-CZ 4.06Å
266	A	93.2	Very high	86.1	Confident	42 Å²	42	73.2 Å²	73.2	35%	0.347	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-41.1	176.6	0	0	0	0	0	112.3	K262 E263 V264 L268 A269 N270	K262-A266 WeakPolarHBondContact O-CB 3.42Å; K262-A266 PolarHBondContact O-N 3.42Å; E263-A266 PolarHBondContact O-N 3.07Å; V264-A266 PolarHBondContact O-N 2.69Å; A266-L268 VanDerWaalsContact C-N 3.31Å; A266-L268 PolarHBondContact O-N 3.31Å; A266-A269 PolarHBondContact O-N 3.09Å; A266-N270 PolarHBondContact O-N 2.73Å; A266-N270 PolarHBondContact O-ND2 3.44Å
267	L	92.4	Very high	85.9	Confident	18 Å²	18	71.6 Å²	71.6	9%	0.094	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-40.9	173.4	173.3	66.7	0	0	0	111.8	E263 V264 E265 T277 L279	E263-L267 WeakPolarHBondContact O-CB 3.45Å; E263-L267 PolarHBondContact O-N 3.47Å; V264-L267 WeakPolarHBondContact O-CB 3.29Å; V264-L267 PolarHBondContact O-N 2.88Å; E265-L267 PolarHBondContact O-N 3.33Å; L267-T277 HydrophobicContact CD1-CG2 4.27Å; L267-T277 WeakPolarHBondContact CD1-O 3.46Å; L267-L279 HydrophobicContact CD2-CB 3.68Å; L267-L279 HydrophobicContact CD2-CD2 4.33Å
268	L	91	Very high	85.8	Confident	27 Å²	27	71.7 Å²	71.7	14%	0.141	38%	0.381	C	S	.	.	H	α-helix	trans	-75.9	-30.3	-178.4	-66.7	176.9	0	0	0	113.1	V264 E265 A266 T294 R295 F367	V264-L268 HydrophobicContact CG1-CD1 4.07Å; V264-L268 HydrophobicContact CG1-CG 4.37Å; V264-L268 VanDerWaalsContact O-CG 3.29Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.05Å; E265-L268 PolarHBondContact O-N 2.98Å; E265-L268 VanDerWaalsContact O-N 3.14Å; A266-L268 VanDerWaalsContact C-N 3.31Å; A266-L268 PolarHBondContact O-N 3.31Å; L268-T294 HydrophobicContact CD2-CG2 4.22Å; L268-R295 HydrophobicContact CD2-CB 4.09Å; L268-R295 HydrophobicContact CD2-CG 3.9Å; L268-F367 HydrophobicContact CD1-CB 4.38Å; L268-F367 HydrophobicContact CD1-CD1 3.36Å; L268-F367 HydrophobicContact CD1-CD2 4.48Å; L268-F367 HydrophobicContact CD1-CE1 3.65Å; L268-F367 HydrophobicContact CD1-CG 3.84Å; L268-F367 HydrophobicContact CD1-CZ 4.32Å
269	A	89.3	Confident	85.8	Confident	73 Å²	73	68.6 Å²	68.6	60%	0.603	37%	0.367	S	S	*	.	H	α-helix	trans	-70.5	-36.3	177.3	0	0	0	0	0	112.7	E265 A266 R271	E265-A269 WeakPolarHBondContact O-CB 3.48Å; E265-A269 PolarHBondContact O-N 2.62Å; A266-A269 PolarHBondContact O-N 3.09Å; A269-R271 PolarHBondContact O-N 3.45Å; A269-R271 VanDerWaalsContact O-N 3.14Å
270	N	79.8	Confident	85.8	Confident	98 Å²	98	64.1 Å²	64.1	52%	0.524	35%	0.346	S	S	.	.			trans	-83.2	87	-178.8	-68.1	-44.9	0	0	0	111.2	A266	A266-N270 PolarHBondContact O-N 2.73Å; A266-N270 PolarHBondContact O-ND2 3.44Å
271	R	63.8	Low	85.8	Confident	185 Å²	185	64.1 Å²	64.1	70%	0.698	35%	0.346	S	S	*	.			trans	-86	-19.7	-179.3	-65.5	-168.3	-161.6	-109	0.3	115.3	A269	A269-R271 PolarHBondContact O-N 3.45Å; A269-R271 VanDerWaalsContact O-N 3.14Å
272	D	59.5	Low	85.7	Confident	167 Å²	167	62.7 Å²	62.7	89%	0.893	34%	0.339	S	S	*	.	S	Bend	trans	-124.2	-2.1	-162.7	-73.3	-37	0	0	0	116.7
273	S	52	Low	85.8	Confident	79 Å²	79	56.3 Å²	56.3	55%	0.552	31%	0.311	S	S	*	.	S	Bend	trans	-115.1	153.5	179	36.1	0	0	0	0	111.3	N275	S273-N275 PolarHBondContact O-N 3.38Å
274	S	56.9	Low	85.8	Confident	86 Å²	86	54.2 Å²	54.2	60%	0.601	30%	0.302	S	S	*	.			trans	-30.1	122	-176.4	47.5	0	0	0	0	112.6	D276	S274-D276 PolarHBondContact O-N 3.46Å; S274-D276 PolarHBondContact OG-OD2 3.04Å
275	N	68.6	Low	85.7	Confident	114 Å²	114	55.8 Å²	55.8	61%	0.61	31%	0.309	S	S	*	.			trans	-69.2	73.1	-174	-154.5	19	0	0	0	109.8	S273 T277 K321	S273-N275 PolarHBondContact O-N 3.38Å; N275-T277 VanDerWaalsContact C-N 3.3Å; N275-K321 WeakPolarHBondContact O-CD 3.16Å; N275-K321 WeakPolarHBondContact O-CE 3.48Å; N275-K321 PolarHBondContact O-NZ 2.68Å
276	D	88.7	Confident	85.7	Confident	79 Å²	79	52.9 Å²	52.9	42%	0.422	29%	0.294	S	S	.	.			trans	-86.5	-5.2	-168.8	-72.1	-22.6	0	0	0	113.1	S274 K321 K322	S274-D276 PolarHBondContact O-N 3.46Å; S274-D276 PolarHBondContact OG-OD2 3.04Å; D276-K321 IonicContact OD1-NZ 2.81Å; D276-K321 PolarHBondContact OD1-NZ 3.5Å; D276-K322 PolarHBondContact O-N 2.84Å
277	T	93.9	Very high	85.9	Confident	30 Å²	30	50.9 Å²	50.9	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.6	175.5	-60	0	0	0	0	110.5	L267 N275 K322 L324	L267-T277 HydrophobicContact CD1-CG2 4.27Å; L267-T277 WeakPolarHBondContact CD1-O 3.46Å; N275-T277 VanDerWaalsContact C-N 3.3Å; T277-K322 CarbonylContact C-O 3.48Å; T277-K322 WeakPolarHBondContact CA-O 3.27Å; T277-K322 HydrophobicContact CG2-CG 4.33Å; T277-L324 HydrophobicContact CG2-CD1 3.81Å; T277-L324 HydrophobicContact CG2-CG 3.9Å
278	I	95.8	Very high	86.1	Confident	20 Å²	20	50.2 Å²	50.2	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.8	174.5	-65.1	176.5	0	0	0	108.3	L280 L297 L317 F318 K321 K322 V323 L324	I278-L280 HydrophobicContact CG2-CB 4.24Å; I278-L297 HydrophobicContact CG2-CB 4.02Å; I278-L297 HydrophobicContact CG2-CD2 3.93Å; I278-L317 WeakPolarHBondContact CD1-O 3.47Å; I278-F318 HydrophobicContact CD1-CD1 3.89Å; I278-F318 HydrophobicContact CD1-CE1 4.24Å; I278-F318 HydrophobicContact CG2-CE1 4.34Å; I278-K321 HydrophobicContact CD1-CB 4.1Å; I278-K321 HydrophobicContact CD1-CG 3.92Å; I278-K321 HydrophobicContact CG1-CB 4.34Å; I278-K321 HydrophobicContact CG1-CG 4.37Å; I278-K322 PolarHBondContact N-O 2.84Å; I278-V323 HydrophobicContact CB-CG1 4.45Å; I278-V323 HydrophobicContact CB-CG2 4.46Å; I278-V323 HydrophobicContact CG2-CG1 4.48Å; I278-V323 CarbonylContact O-C 3.54Å; I278-V323 WeakPolarHBondContact O-CA 3.28Å; I278-L324 PolarHBondContact O-N 3.19Å
279	L	97.6	Very high	86.3	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	106.2	168.6	178.9	58.8	0	0	0	108.7	F260 V264 L267 F293 C296 L297 L324 Y326	F260-L279 HydrophobicContact CE1-CD1 4.11Å; F260-L279 HydrophobicContact CE2-CD1 4.44Å; F260-L279 HydrophobicContact CZ-CD1 3.53Å; V264-L279 HydrophobicContact CG1-CD2 4.23Å; V264-L279 HydrophobicContact CG2-CD1 4.15Å; V264-L279 HydrophobicContact CG2-CD2 4.06Å; L267-L279 HydrophobicContact CD2-CB 3.68Å; L267-L279 HydrophobicContact CD2-CD2 4.33Å; L279-F293 HydrophobicContact CD2-CB 3.5Å; L279-F293 VanDerWaalsContact CD2-CB 3.5Å; L279-F293 HydrophobicContact CD2-CG 4.13Å; L279-F293 HydrophobicContact CG-CB 4.32Å; L279-C296 HydrophobicContact CB-CB 4.38Å; L279-C296 HydrophobicContact CD2-CB 4.18Å; L279-C296 HydrophobicContact CG-CB 3.93Å; L279-C296 CarbonylContact O-C 3.4Å; L279-C296 WeakPolarHBondContact O-CA 3.3Å; L279-C296 WeakPolarHBondContact O-CB 3.29Å; L279-L297 PolarHBondContact O-N 2.9Å; L279-L324 CarbonylContact C-O 3.53Å; L279-L324 WeakPolarHBondContact CA-O 3.36Å; L279-L324 HydrophobicContact CD1-CB 3.87Å; L279-Y326 HydrophobicContact CD1-CD1 3.71Å; L279-Y326 HydrophobicContact CD1-CE1 3.9Å; L279-Y326 HydrophobicContact CG-CD1 4.29Å; L279-Y326 HydrophobicContact CG-CE1 3.95Å
280	L	98.3	Very high	86.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.2	-169.1	179.1	60.7	0	0	0	112.4	I278 L297 P299 F307 I311 F318 V323 L324 M325 Y326	I278-L280 HydrophobicContact CG2-CB 4.24Å; L280-L297 HydrophobicContact CD1-CB 4.35Å; L280-L297 HydrophobicContact CD1-CD2 4.09Å; L280-L297 HydrophobicContact CD1-CG 4.1Å; L280-P299 HydrophobicContact CD1-CG 3.73Å; L280-F307 HydrophobicContact CD2-CE2 4.15Å; L280-F307 HydrophobicContact CD2-CZ 3.9Å; L280-I311 HydrophobicContact CD2-CD1 4.39Å; L280-F318 HydrophobicContact CD2-CE1 3.93Å; L280-F318 HydrophobicContact CD2-CZ 4.24Å; L280-V323 HydrophobicContact CB-CG1 3.93Å; L280-V323 HydrophobicContact CD2-CG1 4.14Å; L280-L324 PolarHBondContact N-O 3.42Å; L280-M325 HydrophobicContact CB-CG 4.27Å; L280-M325 HydrophobicContact CD2-CE 4.06Å; L280-M325 HydrophobicContact CD2-CG 4.24Å; L280-M325 HydrophobicContact CD2-SD 4.48Å; L280-M325 WeakPolarHBondContact O-CA 3.29Å; L280-Y326 WeakPolarHBondContact O-CD1 3.31Å; L280-Y326 PolarHBondContact O-N 3.19Å
281	D	98.4	Very high	87.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	119	170.5	-157.5	-28.6	0	0	0	110.2	R283 S288 L297 A298 P299 Y326	D281-R283 PolarHBondContact O-N 2.84Å; D281-R283 WeakPolarHBondContact OD1-CB 3.38Å; D281-R283 WeakPolarHBondContact OD1-CG 3.49Å; D281-R283 IonicContact OD1-CZ 2.68Å; D281-R283 PolarHBondContact OD1-N 3.07Å; D281-R283 IonicContact OD1-NE 3.46Å; D281-R283 PolarHBondContact OD1-NE 3.39Å; D281-R283 IonicContact OD1-NH2 3.62Å; D281-R283 IonicContact OD2-CZ 2.82Å; D281-R283 IonicContact OD2-NE 3.64Å; D281-R283 PolarHBondContact OD2-NE 3.1Å; D281-R283 IonicContact OD2-NH2 2.75Å; D281-R283 PolarHBondContact OD2-NH2 2.81Å; D281-S288 PolarHBondContact OD2-OG 3.37Å; D281-L297 PolarHBondContact N-O 3.27Å; D281-A298 HydrophobicContact CB-CB 4.02Å; D281-P299 WeakPolarHBondContact O-CD 3.4Å; D281-Y326 HydrophobicContact CB-CE1 4.07Å; D281-Y326 HydrophobicContact CB-CE2 3.94Å; D281-Y326 VanDerWaalsContact CB-CZ 3.5Å; D281-Y326 VanDerWaalsContact CB-OH 3.28Å; D281-Y326 WeakPolarHBondContact CB-OH 3.45Å; D281-Y326 VanDerWaalsContact CG-OH 3.23Å; D281-Y326 WeakPolarHBondContact OD1-CE2 3.17Å; D281-Y326 WeakPolarHBondContact OD2-CE2 3.24Å; D281-Y326 PolarHBondContact OD2-OH 2.65Å
282	C	97.4	Very high	89	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.			trans	-89.8	11.1	177.6	-57.8	0	0	0	0	112.6	F304 F307 M325 Y326 C327 R332	C282-F304 HydrophobicContact CB-CE2 4.44Å; C282-F307 HydrophobicContact CB-CE2 4.48Å; C282-M325 WeakPolarHBondContact SG-CE 3.35Å; C282-Y326 WeakPolarHBondContact CB-O 2.93Å; C282-Y326 PolarHBondContact N-O 3.31Å; C282-C327 HydrophobicContact CB-CB 4.24Å; C282-R332 HydrophobicContact CB-CB 4.37Å; C282-R332 WeakPolarHBondContact O-CD 3Å
283	R	97.8	Very high	90.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-90	168.1	-174.9	-58.4	-176.8	-67.6	161.1	3.6	113	D281 E287 G291 C327 R332 I356 Y368	D281-R283 PolarHBondContact O-N 2.84Å; D281-R283 WeakPolarHBondContact OD1-CB 3.38Å; D281-R283 WeakPolarHBondContact OD1-CG 3.49Å; D281-R283 IonicContact OD1-CZ 2.68Å; D281-R283 PolarHBondContact OD1-N 3.07Å; D281-R283 IonicContact OD1-NE 3.46Å; D281-R283 PolarHBondContact OD1-NE 3.39Å; D281-R283 IonicContact OD1-NH2 3.62Å; D281-R283 IonicContact OD2-CZ 2.82Å; D281-R283 IonicContact OD2-NE 3.64Å; D281-R283 PolarHBondContact OD2-NE 3.1Å; D281-R283 IonicContact OD2-NH2 2.75Å; D281-R283 PolarHBondContact OD2-NH2 2.81Å; R283-E287 HydrophobicContact CB-CB 3.84Å; R283-E287 HydrophobicContact CB-CG 4.32Å; R283-E287 WeakPolarHBondContact CD-OE2 3.27Å; R283-G291 PolarHBondContact NH1-O 2.93Å; R283-G291 PolarHBondContact NH2-O 3.06Å; R283-C327 HydrophobicContact CG-CB 3.92Å; R283-R332 VanDerWaalsContact CA-NH1 3.32Å; R283-I356 VanDerWaalsContact CZ-CD1 3.49Å; R283-Y368 PolarHBondContact NH1-OH 3.38Å
284	N	96.3	Very high	92.6	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.059	16%	0.16	C	C	.	.			trans	-74.5	154	171.8	-54.5	-57.5	0	0	0	109.7	Y286 E287 S288 I301 R302 K303 F304	N284-Y286 HydrophobicContact CB-CD1 3.87Å; N284-Y286 HydrophobicContact CB-CE1 3.35Å; N284-Y286 HydrophobicContact CB-CE2 4.29Å; N284-Y286 PolarHBondContact ND2-OH 3.47Å; N284-Y286 PolarHBondContact O-N 3.35Å; N284-E287 HydrophobicContact CB-CG 4.38Å; N284-E287 VanDerWaalsContact CB-OE1 3.32Å; N284-E287 WeakPolarHBondContact CB-OE1 3.35Å; N284-E287 PolarHBondContact N-OE1 3.2Å; N284-E287 PolarHBondContact ND2-OE1 2.94Å; N284-E287 VanDerWaalsContact O-CB 3.3Å; N284-E287 WeakPolarHBondContact O-CB 3.36Å; N284-E287 PolarHBondContact O-N 3.02Å; N284-S288 PolarHBondContact O-N 2.74Å; N284-I301 WeakPolarHBondContact CA-O 3.44Å; N284-R302 PolarHBondContact OD1-O 3.19Å; N284-K303 WeakPolarHBondContact OD1-CA 3.34Å; N284-K303 PolarHBondContact OD1-N 2.79Å; N284-F304 PolarHBondContact OD1-N 2.54Å
285	F	94.9	Very high	94.2	Very high	33 Å²	33	32.8 Å²	32.8	15%	0.145	16%	0.157	C	C	.	.	H	α-helix	trans	-53.5	-35.7	-174.6	82	-82.6	0	0	0	114.5	E287 S288 K289 N300 I301 R302 R458	F285-E287 PolarHBondContact O-N 2.99Å; F285-S288 PolarHBondContact O-N 3.33Å; F285-K289 WeakPolarHBondContact O-CB 3.4Å; F285-K289 PolarHBondContact O-N 3.29Å; F285-N300 VanDerWaalsContact CB-OD1 3.31Å; F285-N300 WeakPolarHBondContact CB-OD1 2.97Å; F285-I301 PolarHBondContact N-O 3.19Å; F285-R302 HydrophobicContact CE1-CB 4.44Å; F285-R302 HydrophobicContact CE1-CG 4.26Å; F285-R458 VanDerWaalsContact CD1-NH1 3.33Å; F285-R458 VanDerWaalsContact CE1-CZ 3.42Å; F285-R458 VanDerWaalsContact CG-CZ 3.49Å
286	Y	94.6	Very high	95.5	Very high	47 Å²	47	28.4 Å²	28.4	18%	0.184	14%	0.135	C	C	.	.	H	α-helix	trans	-71	-22.3	-178.2	55	-98.4	0	0	0	111.6	N284 F373 F375 Y401 L412	N284-Y286 HydrophobicContact CB-CD1 3.87Å; N284-Y286 HydrophobicContact CB-CE1 3.35Å; N284-Y286 HydrophobicContact CB-CE2 4.29Å; N284-Y286 PolarHBondContact ND2-OH 3.47Å; N284-Y286 PolarHBondContact O-N 3.35Å; Y286-F373 HydrophobicContact CD2-CD1 4.39Å; Y286-F373 HydrophobicContact CD2-CD2 4.23Å; Y286-F373 HydrophobicContact CD2-CE1 4.1Å; Y286-F373 AromaticContact CD2-CE2 3.94Å; Y286-F373 HydrophobicContact CD2-CE2 3.94Å; Y286-F373 HydrophobicContact CD2-CG 4.46Å; Y286-F373 AromaticContact CD2-CZ 3.86Å; Y286-F373 HydrophobicContact CD2-CZ 3.86Å; Y286-F373 HydrophobicContact CE2-CD1 4.1Å; Y286-F373 AromaticContact CE2-CE1 3.62Å; Y286-F373 HydrophobicContact CE2-CE1 3.62Å; Y286-F373 HydrophobicContact CE2-CE2 4.28Å; Y286-F373 AromaticContact CE2-CZ 3.73Å; Y286-F373 HydrophobicContact CE2-CZ 3.73Å; Y286-F375 HydrophobicContact CE2-CE1 4.38Å; Y286-Y401 WeakPolarHBondContact CA-OH 3.35Å; Y286-Y401 VanDerWaalsContact O-CE2 3.27Å; Y286-Y401 WeakPolarHBondContact O-CE2 3.35Å; Y286-Y401 PolarHBondContact O-OH 2.76Å; Y286-L412 HydrophobicContact CD2-CD1 4.03Å; Y286-L412 HydrophobicContact CG-CD1 4.35Å
287	E	97.3	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-77.3	-49.6	174.6	-51.1	174.6	-121.9	0	0	109.7	R283 N284 F285 K289 I290 G291 T328 R332 F373 F375	R283-E287 HydrophobicContact CB-CB 3.84Å; R283-E287 HydrophobicContact CB-CG 4.32Å; R283-E287 WeakPolarHBondContact CD-OE2 3.27Å; N284-E287 HydrophobicContact CB-CG 4.38Å; N284-E287 VanDerWaalsContact CB-OE1 3.32Å; N284-E287 WeakPolarHBondContact CB-OE1 3.35Å; N284-E287 PolarHBondContact N-OE1 3.2Å; N284-E287 PolarHBondContact ND2-OE1 2.94Å; N284-E287 VanDerWaalsContact O-CB 3.3Å; N284-E287 WeakPolarHBondContact O-CB 3.36Å; N284-E287 PolarHBondContact O-N 3.02Å; F285-E287 PolarHBondContact O-N 2.99Å; E287-K289 VanDerWaalsContact C-N 3.27Å; E287-K289 PolarHBondContact O-N 2.88Å; E287-I290 WeakPolarHBondContact O-CG1 3.32Å; E287-I290 PolarHBondContact O-N 3.25Å; E287-G291 PolarHBondContact O-N 3.24Å; E287-T328 PolarHBondContact OE2-OG1 3.37Å; E287-R332 IonicContact OE1-CZ 2.69Å; E287-R332 IonicContact OE1-NH1 3.09Å; E287-R332 PolarHBondContact OE1-NH1 3.23Å; E287-R332 IonicContact OE1-NH2 2.65Å; E287-R332 IonicContact OE2-CZ 3.24Å; E287-R332 IonicContact OE2-NH1 3.75Å; E287-R332 PolarHBondContact OE2-NH1 2.94Å; E287-R332 IonicContact OE2-NH2 3.95Å; E287-R332 PolarHBondContact OE2-NH2 3.15Å; E287-F373 HydrophobicContact CB-CB 3.83Å; E287-F373 HydrophobicContact CB-CG 4.24Å; E287-F373 HydrophobicContact CG-CB 3.93Å; E287-F373 HydrophobicContact CG-CD1 3.68Å; E287-F373 HydrophobicContact CG-CE1 4.4Å; E287-F373 HydrophobicContact CG-CG 3.82Å; E287-F375 HydrophobicContact CG-CZ 4.48Å; E287-F375 WeakPolarHBondContact OE1-CZ 3.19Å; E287-F375 WeakPolarHBondContact OE2-CZ 3Å
288	S	96.8	Very high	96	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-30.3	179.1	-53	0	0	0	0	112.9	D281 N284 F285 I290 G291	D281-S288 PolarHBondContact OD2-OG 3.37Å; N284-S288 PolarHBondContact O-N 2.74Å; F285-S288 PolarHBondContact O-N 3.33Å; S288-I290 VanDerWaalsContact C-N 3.26Å; S288-I290 PolarHBondContact O-N 3.07Å; S288-G291 WeakPolarHBondContact CA-O 3.45Å; S288-G291 CarbonylContact O-C 3.43Å; S288-G291 PolarHBondContact O-N 3.35Å
289	K	95.9	Very high	95.9	Very high	92 Å²	92	25.6 Å²	25.6	40%	0.4	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.4	-178.7	-174.7	167.1	-172.1	174.5	0	113.3	F285 E287 A389 L414	F285-K289 WeakPolarHBondContact O-CB 3.4Å; F285-K289 PolarHBondContact O-N 3.29Å; E287-K289 VanDerWaalsContact C-N 3.27Å; E287-K289 PolarHBondContact O-N 2.88Å; K289-A389 VanDerWaalsContact O-CB 3.29Å; K289-A389 WeakPolarHBondContact O-CB 3.44Å; K289-L414 HydrophobicContact CD-CD1 4.04Å; K289-L414 HydrophobicContact CG-CD1 4.23Å
290	I	95.9	Very high	95.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-11.1	-177.5	58.6	160	0	0	0	113.7	E287 S288 G370 K371 F373 T380 A389 D399 Y401 L414	E287-I290 WeakPolarHBondContact O-CG1 3.32Å; E287-I290 PolarHBondContact O-N 3.25Å; S288-I290 VanDerWaalsContact C-N 3.26Å; S288-I290 PolarHBondContact O-N 3.07Å; I290-G370 CarbonylContact O-C 3.51Å; I290-G370 WeakPolarHBondContact O-CA 3.39Å; I290-K371 HydrophobicContact CD1-CB 4.34Å; I290-K371 PolarHBondContact O-N 3.03Å; I290-F373 HydrophobicContact CD1-CB 4.1Å; I290-F373 HydrophobicContact CD1-CD2 4Å; I290-T380 HydrophobicContact CD1-CG2 3.24Å; I290-A389 HydrophobicContact CG2-CB 4.16Å; I290-D399 HydrophobicContact CG2-CB 4.37Å; I290-Y401 HydrophobicContact CB-CE2 4.29Å; I290-Y401 HydrophobicContact CD1-CD2 4.1Å; I290-Y401 HydrophobicContact CD1-CE2 3.84Å; I290-Y401 HydrophobicContact CG1-CE2 3.99Å; I290-Y401 HydrophobicContact CG2-CD2 4.1Å; I290-Y401 HydrophobicContact CG2-CE2 3.37Å; I290-L414 HydrophobicContact CG2-CD1 4.28Å; I290-L414 HydrophobicContact CG2-CD2 4Å
291	G	96.3	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	140.5	170.8	0	0	0	0	0	111.3	R283 E287 S288 Y368 R369 K371	R283-G291 PolarHBondContact NH1-O 2.93Å; R283-G291 PolarHBondContact NH2-O 3.06Å; E287-G291 PolarHBondContact O-N 3.24Å; S288-G291 WeakPolarHBondContact CA-O 3.45Å; S288-G291 CarbonylContact O-C 3.43Å; S288-G291 PolarHBondContact O-N 3.35Å; G291-Y368 VanDerWaalsContact C-CZ 3.49Å; G291-Y368 PolarHBondContact O-OH 3.24Å; G291-Y368 VanDerWaalsContact O-OH 3.07Å; G291-R369 CarbonylContact C-O 3.42Å; G291-R369 WeakPolarHBondContact CA-O 3.22Å; G291-K371 WeakPolarHBondContact CA-O 3.16Å
292	Q	96.9	Very high	95.1	Very high	63 Å²	63	31.8 Å²	31.8	29%	0.294	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	167.2	-178.4	63	-172.7	-7	0	0	110.7	C296 R369 I388	Q292-C296 PolarHBondContact OE1-SG 2.91Å; Q292-R369 PolarHBondContact N-O 3.24Å; Q292-R369 PolarHBondContact O-N 2.85Å; Q292-I388 HydrophobicContact CG-CD1 3.82Å
293	F	96.8	Very high	94.9	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	147.4	170.5	-79.5	-88.6	0	0	0	111.2	F260 L279 R295 C296 Y326 L352 I356 Y359 F367 Y368	F260-F293 HydrophobicContact CD1-CZ 4.45Å; F260-F293 HydrophobicContact CE1-CE1 4.14Å; F260-F293 HydrophobicContact CE1-CE2 4.18Å; F260-F293 AromaticContact CE1-CZ 3.87Å; F260-F293 HydrophobicContact CE1-CZ 3.87Å; L279-F293 HydrophobicContact CD2-CB 3.5Å; L279-F293 VanDerWaalsContact CD2-CB 3.5Å; L279-F293 HydrophobicContact CD2-CG 4.13Å; L279-F293 HydrophobicContact CG-CB 4.32Å; F293-R295 PolarHBondContact O-N 3.26Å; F293-C296 HydrophobicContact CB-CB 4.32Å; F293-C296 PolarHBondContact O-N 3.48Å; F293-C296 PolarHBondContact O-SG 3.43Å; F293-Y326 HydrophobicContact CB-CE1 4.16Å; F293-Y326 AromaticContact CD2-CD1 3.77Å; F293-Y326 HydrophobicContact CD2-CD1 3.77Å; F293-Y326 AromaticContact CD2-CD2 3.82Å; F293-Y326 HydrophobicContact CD2-CD2 3.82Å; F293-Y326 AromaticContact CD2-CE1 3.6Å; F293-Y326 HydrophobicContact CD2-CE1 3.6Å; F293-Y326 AromaticContact CD2-CE2 3.67Å; F293-Y326 HydrophobicContact CD2-CE2 3.67Å; F293-Y326 AromaticContact CD2-CG 3.86Å; F293-Y326 HydrophobicContact CD2-CG 3.86Å; F293-Y326 AromaticContact CD2-CZ 3.55Å; F293-Y326 HydrophobicContact CE2-CD1 4.19Å; F293-Y326 AromaticContact CE2-CD2 3.91Å; F293-Y326 HydrophobicContact CE2-CD2 3.91Å; F293-Y326 HydrophobicContact CE2-CE1 4.44Å; F293-Y326 HydrophobicContact CE2-CE2 4.2Å; F293-Y326 AromaticContact CE2-CG 3.9Å; F293-Y326 HydrophobicContact CE2-CG 3.9Å; F293-Y326 HydrophobicContact CG-CE1 4.27Å; F293-Y326 PolarHBondContact N-OH 2.86Å; F293-L352 HydrophobicContact CE2-CD2 4.41Å; F293-L352 HydrophobicContact CZ-CD2 4.33Å; F293-I356 HydrophobicContact CE2-CG1 4.06Å; F293-Y359 AromaticContact CE1-CD1 3.92Å; F293-Y359 HydrophobicContact CE1-CD1 3.92Å; F293-Y359 HydrophobicContact CE1-CD2 4.31Å; F293-Y359 AromaticContact CE1-CE1 3.53Å; F293-Y359 HydrophobicContact CE1-CE1 3.53Å; F293-Y359 AromaticContact CE1-CE2 3.95Å; F293-Y359 HydrophobicContact CE1-CE2 3.95Å; F293-Y359 HydrophobicContact CE1-CG 4.29Å; F293-Y359 AromaticContact CE1-CZ 3.55Å; F293-Y359 AromaticContact CZ-CD1 3.67Å; F293-Y359 HydrophobicContact CZ-CD1 3.67Å; F293-Y359 HydrophobicContact CZ-CD2 4.08Å; F293-Y359 AromaticContact CZ-CE1 3.81Å; F293-Y359 HydrophobicContact CZ-CE1 3.81Å; F293-Y359 HydrophobicContact CZ-CE2 4.19Å; F293-Y359 AromaticContact CZ-CG 3.82Å; F293-Y359 HydrophobicContact CZ-CG 3.82Å; F293-F367 HydrophobicContact CD1-CB 3.99Å; F293-F367 HydrophobicContact CE1-CB 4.4Å; F293-Y368 AromaticContact CD2-CD2 3.77Å; F293-Y368 HydrophobicContact CD2-CD2 3.77Å; F293-Y368 AromaticContact CE2-CD2 3.87Å; F293-Y368 HydrophobicContact CE2-CD2 3.87Å; F293-Y368 HydrophobicContact CG-CD2 4.23Å; F293-Y368 HydrophobicContact CZ-CD2 4.38Å
294	T	90.7	Very high	94.8	Very high	53 Å²	53	37 Å²	37	33%	0.325	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	132.3	176	-55.5	0	0	0	0	110.4	L268 C296 F367	L268-T294 HydrophobicContact CD2-CG2 4.22Å; T294-C296 VanDerWaalsContact C-N 3.29Å; T294-C296 PolarHBondContact O-N 2.97Å; T294-F367 PolarHBondContact N-O 3.23Å; T294-F367 VanDerWaalsContact N-O 3.15Å; T294-F367 PolarHBondContact OG1-O 2.79Å; T294-F367 VanDerWaalsContact OG1-O 3.12Å
295	R	89.8	Confident	94.8	Very high	139 Å²	139	38.2 Å²	38.2	53%	0.525	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	26.7	-177.4	-58	-179.3	107.7	-176.2	1	115.3	L268 F293	L268-R295 HydrophobicContact CD2-CB 4.09Å; L268-R295 HydrophobicContact CD2-CG 3.9Å; F293-R295 PolarHBondContact O-N 3.26Å
296	C	95.5	Very high	94.8	Very high	22 Å²	22	38.8 Å²	38.8	15%	0.149	19%	0.186	C	C	.	.			trans	-75	149.5	169.8	68.4	0	0	0	0	112.4	L279 Q292 F293 T294 Y326	L279-C296 HydrophobicContact CB-CB 4.38Å; L279-C296 HydrophobicContact CD2-CB 4.18Å; L279-C296 HydrophobicContact CG-CB 3.93Å; L279-C296 CarbonylContact O-C 3.4Å; L279-C296 WeakPolarHBondContact O-CA 3.3Å; L279-C296 WeakPolarHBondContact O-CB 3.29Å; Q292-C296 PolarHBondContact OE1-SG 2.91Å; F293-C296 HydrophobicContact CB-CB 4.32Å; F293-C296 PolarHBondContact O-N 3.48Å; F293-C296 PolarHBondContact O-SG 3.43Å; T294-C296 VanDerWaalsContact C-N 3.29Å; T294-C296 PolarHBondContact O-N 2.97Å; C296-Y326 HydrophobicContact CB-CE1 4.01Å; C296-Y326 WeakPolarHBondContact CB-OH 3.28Å; C296-Y326 PolarHBondContact SG-OH 2.61Å
297	L	96.3	Very high	94.8	Very high	42 Å²	42	36.5 Å²	36.5	22%	0.22	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-77.4	112.5	156.8	-179.8	60.1	0	0	0	107.8	I278 L279 L280 D281 F318 D464	I278-L297 HydrophobicContact CG2-CB 4.02Å; I278-L297 HydrophobicContact CG2-CD2 3.93Å; L279-L297 PolarHBondContact O-N 2.9Å; L280-L297 HydrophobicContact CD1-CB 4.35Å; L280-L297 HydrophobicContact CD1-CD2 4.09Å; L280-L297 HydrophobicContact CD1-CG 4.1Å; D281-L297 PolarHBondContact N-O 3.27Å; L297-F318 HydrophobicContact CD2-CE1 4.13Å; L297-F318 HydrophobicContact CD2-CZ 4.11Å; L297-D464 HydrophobicContact CD1-CB 4.33Å; L297-D464 WeakPolarHBondContact CD1-OD2 3.48Å
298	A	96.1	Very high	94.8	Very high	29 Å²	29	36.8 Å²	36.8	24%	0.24	18%	0.179	C	C	.	.			trans	-114.4	95.4	179	0	0	0	0	0	110	D281 N300	D281-A298 HydrophobicContact CB-CB 4.02Å; A298-N300 PolarHBondContact O-N 3.35Å
299	P	94.6	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.			trans	-56.5	131.7	-178.8	-23.3	34.5	0	0	0	110.6	L280 D281 I301 Y310	L280-P299 HydrophobicContact CD1-CG 3.73Å; D281-P299 WeakPolarHBondContact O-CD 3.4Å; P299-I301 HydrophobicContact CB-CG1 4.32Å; P299-I301 HydrophobicContact CB-CG2 4.07Å; P299-I301 PolarHBondContact O-N 2.81Å; P299-Y310 HydrophobicContact CB-CD1 4Å; P299-Y310 HydrophobicContact CB-CD2 4.06Å; P299-Y310 HydrophobicContact CB-CE1 3.76Å; P299-Y310 HydrophobicContact CB-CE2 3.79Å; P299-Y310 HydrophobicContact CB-CG 4.15Å; P299-Y310 HydrophobicContact CG-CD1 3.96Å; P299-Y310 HydrophobicContact CG-CE1 3.4Å; P299-Y310 VanDerWaalsContact CG-CE1 3.4Å; P299-Y310 HydrophobicContact CG-CE2 4.24Å
300	N	92.8	Very high	94.7	Very high	82 Å²	82	34.6 Å²	34.6	44%	0.439	17%	0.171	S	C	.	.			trans	-76.1	36.3	-179	-162.5	29.1	0	0	0	113.1	F285 A298 R458 P462	F285-N300 VanDerWaalsContact CB-OD1 3.31Å; F285-N300 WeakPolarHBondContact CB-OD1 2.97Å; A298-N300 PolarHBondContact O-N 3.35Å; N300-R458 PolarHBondContact O-NH2 2.88Å; N300-R458 PolarHBondContact OD1-NH2 2.96Å; N300-P462 HydrophobicContact CB-CB 3.86Å; N300-P462 HydrophobicContact CB-CG 4.05Å
301	I	93.3	Very high	94.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.			trans	-76.8	143.1	-178.3	61.6	174.5	0	0	0	111.4	N284 F285 P299 F307 Y310 P462	N284-I301 WeakPolarHBondContact CA-O 3.44Å; F285-I301 PolarHBondContact N-O 3.19Å; P299-I301 HydrophobicContact CB-CG1 4.32Å; P299-I301 HydrophobicContact CB-CG2 4.07Å; P299-I301 PolarHBondContact O-N 2.81Å; I301-F307 HydrophobicContact CD1-CB 3.95Å; I301-F307 HydrophobicContact CD1-CD2 4.05Å; I301-Y310 HydrophobicContact CG2-CG 4.4Å; I301-P462 HydrophobicContact CG2-CG 4.04Å
302	R	91.1	Very high	94.6	Very high	49 Å²	49	37.3 Å²	37.3	19%	0.185	19%	0.186	C	C	.	.	S	Bend	trans	-86.3	-32	178	-177.5	171.3	-179.3	-155.9	-3.6	113.5	N284 F285 Y306 Q411 E450 T455	N284-R302 PolarHBondContact OD1-O 3.19Å; F285-R302 HydrophobicContact CE1-CB 4.44Å; F285-R302 HydrophobicContact CE1-CG 4.26Å; R302-Y306 HydrophobicContact CB-CD2 4.43Å; R302-Y306 HydrophobicContact CB-CE2 4.07Å; R302-Q411 VanDerWaalsContact CZ-NE2 3.31Å; R302-E450 IonicContact CZ-OE2 3.84Å; R302-E450 VanDerWaalsContact CZ-OE2 3.32Å; R302-E450 IonicContact NH1-OE2 2.66Å; R302-E450 PolarHBondContact NH1-OE2 2.79Å; R302-E450 VanDerWaalsContact NH1-OE2 3.09Å; R302-E450 IonicContact NH2-OE1 3.67Å; R302-E450 PolarHBondContact NH2-OE1 3.16Å; R302-E450 IonicContact NH2-OE2 3.2Å; R302-E450 PolarHBondContact NH2-OE2 3.2Å; R302-T455 PolarHBondContact NH1-OG1 2.94Å
303	K	93.1	Very high	94.5	Very high	101 Å²	101	39.3 Å²	39.3	44%	0.439	20%	0.195	S	C	.	.	S	Bend	trans	-134.1	144.4	-177.8	-61.9	-177.7	-176.6	174.1	0	108.3	N284 S305 Y306	N284-K303 WeakPolarHBondContact OD1-CA 3.34Å; N284-K303 PolarHBondContact OD1-N 2.79Å; K303-S305 WeakPolarHBondContact CB-OG 3.27Å; K303-S305 PolarHBondContact O-N 3.08Å; K303-S305 VanDerWaalsContact O-N 3.16Å; K303-Y306 HydrophobicContact CB-CD1 4.29Å; K303-Y306 HydrophobicContact CB-CD2 4.33Å; K303-Y306 HydrophobicContact CB-CE1 4.18Å; K303-Y306 HydrophobicContact CB-CE2 4.27Å; K303-Y306 HydrophobicContact CB-CG 4.32Å; K303-Y306 HydrophobicContact CD-CE1 4.13Å; K303-Y306 HydrophobicContact CG-CE2 4.34Å; K303-Y306 WeakPolarHBondContact O-CB 3.29Å; K303-Y306 PolarHBondContact O-N 3.24Å
304	F	96.1	Very high	94.4	Very high	10 Å²	10	40 Å²	40	4%	0.044	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-60.1	-26.2	174.1	-175	-119.9	0	0	0	112.3	V237 M239 C282 N284 Y306 F307 R332 R335	V237-F304 HydrophobicContact CG1-CE1 4.43Å; V237-F304 HydrophobicContact CG2-CD1 4Å; V237-F304 HydrophobicContact CG2-CE1 4.36Å; M239-F304 HydrophobicContact CB-CD1 4.01Å; M239-F304 HydrophobicContact CB-CE1 3.63Å; M239-F304 HydrophobicContact CB-CZ 4.45Å; M239-F304 HydrophobicContact CG-CD1 4.26Å; M239-F304 HydrophobicContact CG-CE1 3.72Å; M239-F304 HydrophobicContact CG-CZ 4.07Å; M239-F304 HydrophobicContact SD-CE1 4.1Å; M239-F304 HydrophobicContact SD-CZ 4.02Å; C282-F304 HydrophobicContact CB-CE2 4.44Å; N284-F304 PolarHBondContact OD1-N 2.54Å; F304-Y306 PolarHBondContact O-N 2.8Å; F304-F307 HydrophobicContact CD2-CB 3.89Å; F304-F307 HydrophobicContact CD2-CG 4.26Å; F304-F307 HydrophobicContact CE2-CB 3.9Å; F304-F307 HydrophobicContact CE2-CD1 4.06Å; F304-F307 HydrophobicContact CE2-CD2 4.38Å; F304-F307 AromaticContact CE2-CG 3.86Å; F304-F307 HydrophobicContact CE2-CG 3.86Å; F304-F307 WeakPolarHBondContact O-CB 3.19Å; F304-F307 PolarHBondContact O-N 2.93Å; F304-R332 HydrophobicContact CD1-CG 3.84Å; F304-R332 HydrophobicContact CD2-CB 4.19Å; F304-R332 HydrophobicContact CD2-CG 3.92Å; F304-R332 HydrophobicContact CE1-CB 4.12Å; F304-R332 HydrophobicContact CE1-CG 3.9Å; F304-R332 HydrophobicContact CE2-CB 3.81Å; F304-R332 HydrophobicContact CE2-CG 4.02Å; F304-R332 HydrophobicContact CG-CG 3.84Å; F304-R332 HydrophobicContact CZ-CB 3.78Å; F304-R332 HydrophobicContact CZ-CG 4.01Å; F304-R332 VanDerWaalsContact CZ-O 3.26Å; F304-R332 WeakPolarHBondContact CZ-O 3.41Å; F304-R335 HydrophobicContact CE1-CB 4.4Å
305	S	95.3	Very high	94.6	Very high	36 Å²	36	39.6 Å²	39.6	25%	0.252	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-62.8	-9.7	172.6	65.1	0	0	0	0	115.2	P238 M239 K303	P238-S305 PolarHBondContact O-N 2.99Å; M239-S305 VanDerWaalsContact O-CA 3.26Å; M239-S305 WeakPolarHBondContact O-CA 3.12Å; K303-S305 WeakPolarHBondContact CB-OG 3.27Å; K303-S305 PolarHBondContact O-N 3.08Å; K303-S305 VanDerWaalsContact O-N 3.16Å
306	Y	95.1	Very high	94.8	Very high	44 Å²	44	38.9 Å²	38.9	17%	0.173	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-97.1	-7.4	175.8	-56.5	-10.8	0	0	0	111.8	R302 K303 F304 Y310 R460 I461	R302-Y306 HydrophobicContact CB-CD2 4.43Å; R302-Y306 HydrophobicContact CB-CE2 4.07Å; K303-Y306 HydrophobicContact CB-CD1 4.29Å; K303-Y306 HydrophobicContact CB-CD2 4.33Å; K303-Y306 HydrophobicContact CB-CE1 4.18Å; K303-Y306 HydrophobicContact CB-CE2 4.27Å; K303-Y306 HydrophobicContact CB-CG 4.32Å; K303-Y306 HydrophobicContact CD-CE1 4.13Å; K303-Y306 HydrophobicContact CG-CE2 4.34Å; K303-Y306 WeakPolarHBondContact O-CB 3.29Å; K303-Y306 PolarHBondContact O-N 3.24Å; F304-Y306 PolarHBondContact O-N 2.8Å; Y306-Y310 WeakPolarHBondContact O-CB 3.32Å; Y306-Y310 PolarHBondContact O-N 3.07Å; Y306-R460 HydrophobicContact CD1-CG 4.28Å; Y306-R460 HydrophobicContact CD2-CG 4.06Å; Y306-R460 WeakPolarHBondContact CD2-O 3.2Å; Y306-R460 HydrophobicContact CE1-CG 4.26Å; Y306-R460 HydrophobicContact CE2-CG 3.98Å; Y306-R460 HydrophobicContact CG-CG 4.22Å; Y306-I461 HydrophobicContact CG-CD1 4.42Å
307	F	96.1	Very high	94.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-43	179.9	-174.9	-94.9	0	0	0	112.9	L280 C282 I301 F304 D309 Y310 I311 M325	L280-F307 HydrophobicContact CD2-CE2 4.15Å; L280-F307 HydrophobicContact CD2-CZ 3.9Å; C282-F307 HydrophobicContact CB-CE2 4.48Å; I301-F307 HydrophobicContact CD1-CB 3.95Å; I301-F307 HydrophobicContact CD1-CD2 4.05Å; F304-F307 HydrophobicContact CD2-CB 3.89Å; F304-F307 HydrophobicContact CD2-CG 4.26Å; F304-F307 HydrophobicContact CE2-CB 3.9Å; F304-F307 HydrophobicContact CE2-CD1 4.06Å; F304-F307 HydrophobicContact CE2-CD2 4.38Å; F304-F307 AromaticContact CE2-CG 3.86Å; F304-F307 HydrophobicContact CE2-CG 3.86Å; F304-F307 WeakPolarHBondContact O-CB 3.19Å; F304-F307 PolarHBondContact O-N 2.93Å; F307-D309 PolarHBondContact O-N 3.28Å; F307-Y310 WeakPolarHBondContact O-CB 3.45Å; F307-Y310 PolarHBondContact O-N 3.45Å; F307-I311 HydrophobicContact CD1-CG1 4.05Å; F307-I311 HydrophobicContact CE1-CD1 4.03Å; F307-I311 HydrophobicContact CE1-CG1 3.65Å; F307-I311 HydrophobicContact CE2-CD1 4.22Å; F307-I311 HydrophobicContact CE2-CG1 4.49Å; F307-I311 HydrophobicContact CZ-CD1 3.74Å; F307-I311 HydrophobicContact CZ-CG1 3.91Å; F307-I311 WeakPolarHBondContact O-CG1 3.45Å; F307-I311 PolarHBondContact O-N 2.88Å; F307-M325 HydrophobicContact CE1-CE 4.15Å; F307-M325 HydrophobicContact CZ-CE 3.69Å
308	P	95.8	Very high	94.6	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.039	20%	0.195	C	C	.	.	H	α-helix	trans	-55.8	-52.7	176.3	-29.4	38.8	0	0	0	113.5	M239 V241 Y310 I311 D312 Y339	M239-P308 HydrophobicContact CG-CG 3.65Å; M239-P308 HydrophobicContact SD-CG 4.33Å; V241-P308 HydrophobicContact CG2-CB 3.91Å; V241-P308 HydrophobicContact CG2-CG 3.58Å; P308-Y310 VanDerWaalsContact C-N 3.26Å; P308-Y310 PolarHBondContact O-N 3.3Å; P308-I311 PolarHBondContact O-N 2.93Å; P308-I311 VanDerWaalsContact O-N 3.14Å; P308-D312 PolarHBondContact O-N 3.05Å; P308-Y339 HydrophobicContact CB-CD1 4.22Å; P308-Y339 HydrophobicContact CB-CD2 4.32Å; P308-Y339 HydrophobicContact CB-CE1 3.69Å; P308-Y339 HydrophobicContact CB-CE2 3.82Å; P308-Y339 VanDerWaalsContact CB-CZ 3.46Å; P308-Y339 HydrophobicContact CG-CE2 4.46Å; P308-Y339 WeakPolarHBondContact O-CE1 3.39Å
309	D	95.3	Very high	94.6	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.262	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-36.7	177.9	-66.7	-17.4	0	0	0	111.5	F307 D312 Q313 R460 I461	F307-D309 PolarHBondContact O-N 3.28Å; D309-D312 PolarHBondContact O-N 3.2Å; D309-Q313 WeakPolarHBondContact O-CG 3.26Å; D309-Q313 PolarHBondContact O-N 3.03Å; D309-Q313 VanDerWaalsContact O-N 3.1Å; D309-R460 IonicContact OD2-CZ 3.99Å; D309-R460 IonicContact OD2-NE 3.64Å; D309-R460 IonicContact OD2-NH2 3.47Å; D309-R460 PolarHBondContact OD2-NH2 3.01Å; D309-I461 HydrophobicContact CB-CD1 3.25Å; D309-I461 HydrophobicContact CB-CG1 3.73Å
310	Y	95.5	Very high	94.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-45.1	174.7	167.5	-92.8	0	0	0	112	P299 I301 Y306 F307 P308 D312 Q313 N314 F318 P462 D464	P299-Y310 HydrophobicContact CB-CD1 4Å; P299-Y310 HydrophobicContact CB-CD2 4.06Å; P299-Y310 HydrophobicContact CB-CE1 3.76Å; P299-Y310 HydrophobicContact CB-CE2 3.79Å; P299-Y310 HydrophobicContact CB-CG 4.15Å; P299-Y310 HydrophobicContact CG-CD1 3.96Å; P299-Y310 HydrophobicContact CG-CE1 3.4Å; P299-Y310 VanDerWaalsContact CG-CE1 3.4Å; P299-Y310 HydrophobicContact CG-CE2 4.24Å; I301-Y310 HydrophobicContact CG2-CG 4.4Å; Y306-Y310 WeakPolarHBondContact O-CB 3.32Å; Y306-Y310 PolarHBondContact O-N 3.07Å; F307-Y310 WeakPolarHBondContact O-CB 3.45Å; F307-Y310 PolarHBondContact O-N 3.45Å; P308-Y310 VanDerWaalsContact C-N 3.26Å; P308-Y310 PolarHBondContact O-N 3.3Å; Y310-D312 VanDerWaalsContact C-N 3.32Å; Y310-D312 PolarHBondContact O-N 2.95Å; Y310-Q313 PolarHBondContact O-N 2.84Å; Y310-N314 WeakPolarHBondContact CD2-ND2 3.36Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.3Å; Y310-N314 WeakPolarHBondContact O-CB 3.5Å; Y310-N314 PolarHBondContact O-N 3.05Å; Y310-N314 PolarHBondContact O-ND2 2.88Å; Y310-F318 HydrophobicContact CE1-CE2 4.44Å; Y310-F318 HydrophobicContact CE1-CZ 4.11Å; Y310-P462 HydrophobicContact CD2-CG 3.81Å; Y310-P462 HydrophobicContact CE2-CG 4.17Å; Y310-D464 WeakPolarHBondContact CE2-OD2 3.34Å; Y310-D464 PolarHBondContact OH-OD2 2.66Å
311	I	96.1	Very high	94.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-45.7	175.7	-66.4	-55	0	0	0	110.3	L280 F307 P308 Q313 N314 L315 F318 Y339 L340 K343	L280-I311 HydrophobicContact CD2-CD1 4.39Å; F307-I311 HydrophobicContact CD1-CG1 4.05Å; F307-I311 HydrophobicContact CE1-CD1 4.03Å; F307-I311 HydrophobicContact CE1-CG1 3.65Å; F307-I311 HydrophobicContact CE2-CD1 4.22Å; F307-I311 HydrophobicContact CE2-CG1 4.49Å; F307-I311 HydrophobicContact CZ-CD1 3.74Å; F307-I311 HydrophobicContact CZ-CG1 3.91Å; F307-I311 WeakPolarHBondContact O-CG1 3.45Å; F307-I311 PolarHBondContact O-N 2.88Å; P308-I311 PolarHBondContact O-N 2.93Å; P308-I311 VanDerWaalsContact O-N 3.14Å; I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 2.82Å; I311-N314 CarbonylContact O-C 3.52Å; I311-N314 PolarHBondContact O-N 2.82Å; I311-N314 VanDerWaalsContact O-N 3.11Å; I311-L315 HydrophobicContact CG2-CD2 3.98Å; I311-L315 WeakPolarHBondContact O-CG 3.34Å; I311-L315 PolarHBondContact O-N 3.46Å; I311-F318 HydrophobicContact CD1-CD2 4.3Å; I311-F318 HydrophobicContact CD1-CE1 4.48Å; I311-F318 HydrophobicContact CD1-CE2 3.55Å; I311-F318 HydrophobicContact CD1-CZ 3.66Å; I311-Y339 HydrophobicContact CB-CD1 4.19Å; I311-Y339 HydrophobicContact CB-CE1 4.05Å; I311-Y339 HydrophobicContact CG1-CD1 4.37Å; I311-Y339 HydrophobicContact CG2-CD1 4.24Å; I311-Y339 HydrophobicContact CG2-CE1 4.18Å; I311-L340 HydrophobicContact CD1-CD1 4.2Å; I311-L340 HydrophobicContact CG2-CD1 3.71Å; I311-K343 HydrophobicContact CG2-CG 4.15Å
312	D	95.3	Very high	95	Very high	58 Å²	58	47.8 Å²	47.8	31%	0.31	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-39	-178.1	-69	-26.9	0	0	0	112.9	P308 D309 Y310 N314 L315 Y339 K343	P308-D312 PolarHBondContact O-N 3.05Å; D309-D312 PolarHBondContact O-N 3.2Å; Y310-D312 VanDerWaalsContact C-N 3.32Å; Y310-D312 PolarHBondContact O-N 2.95Å; D312-N314 VanDerWaalsContact C-N 3.28Å; D312-N314 PolarHBondContact O-N 3.49Å; D312-L315 WeakPolarHBondContact O-CG 3.19Å; D312-Y339 PolarHBondContact OD1-OH 3.49Å; D312-Y339 PolarHBondContact OD2-OH 2.96Å; D312-K343 WeakPolarHBondContact OD1-CE 3.39Å; D312-K343 IonicContact OD1-NZ 3.54Å; D312-K343 PolarHBondContact OD1-NZ 2.84Å; D312-K343 IonicContact OD2-NZ 2.73Å
313	Q	94.7	Very high	95.3	Very high	105 Å²	105	45.4 Å²	45.4	49%	0.491	22%	0.218	S	C	.	.	H	α-helix	trans	-76.7	-14.6	178.4	-70.1	176.7	32.1	0	0	113.7	D309 Y310 I311 I461	D309-Q313 WeakPolarHBondContact O-CG 3.26Å; D309-Q313 PolarHBondContact O-N 3.03Å; D309-Q313 VanDerWaalsContact O-N 3.1Å; Y310-Q313 PolarHBondContact O-N 2.84Å; I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 2.82Å; Q313-I461 HydrophobicContact CB-CG2 4.46Å; Q313-I461 VanDerWaalsContact CD-CG2 3.46Å; Q313-I461 HydrophobicContact CG-CG2 4.4Å
314	N	94	Very high	95.5	Very high	14 Å²	14	40.6 Å²	40.6	8%	0.075	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	23.9	-174.8	-63.4	-84.9	0	0	0	112.3	Y310 I311 D312 E316 L317 F318	Y310-N314 WeakPolarHBondContact CD2-ND2 3.36Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.3Å; Y310-N314 WeakPolarHBondContact O-CB 3.5Å; Y310-N314 PolarHBondContact O-N 3.05Å; Y310-N314 PolarHBondContact O-ND2 2.88Å; I311-N314 CarbonylContact O-C 3.52Å; I311-N314 PolarHBondContact O-N 2.82Å; I311-N314 VanDerWaalsContact O-N 3.11Å; D312-N314 VanDerWaalsContact C-N 3.28Å; D312-N314 PolarHBondContact O-N 3.49Å; N314-E316 PolarHBondContact O-N 3.02Å; N314-E316 VanDerWaalsContact O-N 3.14Å; N314-L317 HydrophobicContact CB-CD1 3.79Å; N314-L317 HydrophobicContact CB-CG 4.1Å; N314-L317 VanDerWaalsContact O-CB 3.29Å; N314-L317 WeakPolarHBondContact O-CB 3.31Å; N314-L317 PolarHBondContact O-N 3.38Å; N314-F318 HydrophobicContact CB-CE2 4.18Å; N314-F318 VanDerWaalsContact O-CD2 3.22Å; N314-F318 WeakPolarHBondContact O-CD2 3.49Å
315	L	94.3	Very high	95.7	Very high	45 Å²	45	40.1 Å²	40.1	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-54.1	-37.1	-176.1	-74.1	174.7	0	0	0	113.4	I311 D312 L317 F318 R319 K343 V345	I311-L315 HydrophobicContact CG2-CD2 3.98Å; I311-L315 WeakPolarHBondContact O-CG 3.34Å; I311-L315 PolarHBondContact O-N 3.46Å; D312-L315 WeakPolarHBondContact O-CG 3.19Å; L315-L317 VanDerWaalsContact C-N 3.25Å; L315-L317 PolarHBondContact O-N 2.91Å; L315-F318 PolarHBondContact O-N 2.89Å; L315-R319 PolarHBondContact O-N 2.88Å; L315-K343 HydrophobicContact CD2-CB 3.79Å; L315-K343 HydrophobicContact CD2-CD 4.21Å; L315-K343 HydrophobicContact CD2-CG 3.81Å; L315-V345 HydrophobicContact CD2-CG1 4.44Å; L315-V345 HydrophobicContact CD2-CG2 4.07Å
316	E	93.9	Very high	95.8	Very high	125 Å²	125	38.4 Å²	38.4	58%	0.584	18%	0.183	S	C	*	.	H	α-helix	trans	-63.4	-29.7	178.3	-65.1	-52.7	133.5	0	0	112.9	N314 F318 R319	N314-E316 PolarHBondContact O-N 3.02Å; N314-E316 VanDerWaalsContact O-N 3.14Å; E316-F318 PolarHBondContact O-N 2.89Å; E316-R319 PolarHBondContact O-N 2.83Å; E316-R319 IonicContact OE1-CZ 2.93Å; E316-R319 IonicContact OE1-NE 3.81Å; E316-R319 PolarHBondContact OE1-NE 2.92Å; E316-R319 IonicContact OE1-NH2 3.73Å; E316-R319 PolarHBondContact OE1-NH2 3.48Å; E316-R319 WeakPolarHBondContact OE2-CD 3.36Å; E316-R319 IonicContact OE2-CZ 3.37Å; E316-R319 IonicContact OE2-NE 3.22Å; E316-R319 PolarHBondContact OE2-NE 2.83Å; E316-R319 IonicContact OE2-NH2 2.68Å
317	L	93.2	Very high	95.9	Very high	61 Å²	61	36.3 Å²	36.3	32%	0.319	18%	0.175	S	C	.	.	H	α-helix	trans	-61.2	-34.9	174.1	-62.5	-175	0	0	0	111	I278 N314 L315 K321 D464	I278-L317 WeakPolarHBondContact CD1-O 3.47Å; N314-L317 HydrophobicContact CB-CD1 3.79Å; N314-L317 HydrophobicContact CB-CG 4.1Å; N314-L317 VanDerWaalsContact O-CB 3.29Å; N314-L317 WeakPolarHBondContact O-CB 3.31Å; N314-L317 PolarHBondContact O-N 3.38Å; L315-L317 VanDerWaalsContact C-N 3.25Å; L315-L317 PolarHBondContact O-N 2.91Å; L317-K321 WeakPolarHBondContact O-CG 3.29Å; L317-D464 HydrophobicContact CD1-CB 4.24Å
318	F	95.7	Very high	96	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-92.3	-8.5	-175	-56.5	-70.6	0	0	0	113.6	I278 L280 L297 Y310 I311 N314 L315 E316 N320 K321 V323 L340 V345	I278-F318 HydrophobicContact CD1-CD1 3.89Å; I278-F318 HydrophobicContact CD1-CE1 4.24Å; I278-F318 HydrophobicContact CG2-CE1 4.34Å; L280-F318 HydrophobicContact CD2-CE1 3.93Å; L280-F318 HydrophobicContact CD2-CZ 4.24Å; L297-F318 HydrophobicContact CD2-CE1 4.13Å; L297-F318 HydrophobicContact CD2-CZ 4.11Å; Y310-F318 HydrophobicContact CE1-CE2 4.44Å; Y310-F318 HydrophobicContact CE1-CZ 4.11Å; I311-F318 HydrophobicContact CD1-CD2 4.3Å; I311-F318 HydrophobicContact CD1-CE1 4.48Å; I311-F318 HydrophobicContact CD1-CE2 3.55Å; I311-F318 HydrophobicContact CD1-CZ 3.66Å; N314-F318 HydrophobicContact CB-CE2 4.18Å; N314-F318 VanDerWaalsContact O-CD2 3.22Å; N314-F318 WeakPolarHBondContact O-CD2 3.49Å; L315-F318 PolarHBondContact O-N 2.89Å; E316-F318 PolarHBondContact O-N 2.89Å; F318-N320 PolarHBondContact O-N 3.34Å; F318-K321 WeakPolarHBondContact O-CB 3.32Å; F318-K321 PolarHBondContact O-N 3.05Å; F318-K321 VanDerWaalsContact O-N 3.1Å; F318-V323 HydrophobicContact CD1-CG2 4.05Å; F318-L340 HydrophobicContact CB-CD1 4.22Å; F318-L340 HydrophobicContact CD1-CD1 4.44Å; F318-L340 HydrophobicContact CD1-CD2 4.45Å; F318-L340 HydrophobicContact CD2-CD1 4.23Å; F318-L340 HydrophobicContact CG-CD1 4.03Å; F318-V345 HydrophobicContact CB-CG2 4.09Å
319	R	95.7	Very high	96	Very high	106 Å²	106	36.8 Å²	36.8	40%	0.4	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	125	-174.7	-171.7	178.1	-65.8	-75.6	0.3	112	L315 E316 K321 V345	L315-R319 PolarHBondContact O-N 2.88Å; E316-R319 PolarHBondContact O-N 2.83Å; E316-R319 IonicContact OE1-CZ 2.93Å; E316-R319 IonicContact OE1-NE 3.81Å; E316-R319 PolarHBondContact OE1-NE 2.92Å; E316-R319 IonicContact OE1-NH2 3.73Å; E316-R319 PolarHBondContact OE1-NH2 3.48Å; E316-R319 WeakPolarHBondContact OE2-CD 3.36Å; E316-R319 IonicContact OE2-CZ 3.37Å; E316-R319 IonicContact OE2-NE 3.22Å; E316-R319 PolarHBondContact OE2-NE 2.83Å; E316-R319 IonicContact OE2-NH2 2.68Å; R319-K321 PolarHBondContact O-N 3.18Å; R319-K321 VanDerWaalsContact O-N 3.14Å; R319-V345 CarbonylContact C-O 3.5Å; R319-V345 VanDerWaalsContact CA-O 3.3Å; R319-V345 WeakPolarHBondContact CA-O 3.42Å
320	N	95.4	Very high	96.1	Very high	119 Å²	119	34.5 Å²	34.5	64%	0.636	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	20.3	-177.2	-59.6	-43.1	0	0	0	114.4	F318 V345	F318-N320 PolarHBondContact O-N 3.34Å; N320-V345 PolarHBondContact N-O 3.33Å
321	K	95.8	Very high	96.2	Very high	45 Å²	45	35.4 Å²	35.4	20%	0.196	17%	0.172	C	C	.	.			trans	-94.8	149.5	178.8	-58.2	-59.1	174.3	178.9	0	112.1	N275 D276 I278 L317 F318 R319 V323 K347 E348	N275-K321 WeakPolarHBondContact O-CD 3.16Å; N275-K321 WeakPolarHBondContact O-CE 3.48Å; N275-K321 PolarHBondContact O-NZ 2.68Å; D276-K321 IonicContact OD1-NZ 2.81Å; D276-K321 PolarHBondContact OD1-NZ 3.5Å; I278-K321 HydrophobicContact CD1-CB 4.1Å; I278-K321 HydrophobicContact CD1-CG 3.92Å; I278-K321 HydrophobicContact CG1-CB 4.34Å; I278-K321 HydrophobicContact CG1-CG 4.37Å; L317-K321 WeakPolarHBondContact O-CG 3.29Å; F318-K321 WeakPolarHBondContact O-CB 3.32Å; F318-K321 PolarHBondContact O-N 3.05Å; F318-K321 VanDerWaalsContact O-N 3.1Å; R319-K321 PolarHBondContact O-N 3.18Å; R319-K321 VanDerWaalsContact O-N 3.14Å; K321-V323 HydrophobicContact CB-CG2 4.41Å; K321-K347 PolarHBondContact O-N 3.29Å; K321-E348 PolarHBondContact O-N 2.64Å
322	K	96.7	Very high	96.3	Very high	30 Å²	30	36 Å²	36	13%	0.13	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.1	159.2	175.6	172.5	177.5	170.4	0	107.9	E263 D276 T277 I278 E348 Y350	E263-K322 IonicContact OE1-NZ 2.65Å; E263-K322 PolarHBondContact OE1-NZ 3.09Å; E263-K322 VanDerWaalsContact OE2-CE 3.3Å; E263-K322 WeakPolarHBondContact OE2-CE 3.21Å; E263-K322 IonicContact OE2-NZ 2.79Å; E263-K322 PolarHBondContact OE2-NZ 2.63Å; D276-K322 PolarHBondContact O-N 2.84Å; T277-K322 CarbonylContact C-O 3.48Å; T277-K322 WeakPolarHBondContact CA-O 3.27Å; T277-K322 HydrophobicContact CG2-CG 4.33Å; I278-K322 PolarHBondContact N-O 2.84Å; K322-E348 CarbonylContact C-O 3.55Å; K322-E348 WeakPolarHBondContact CA-O 3.37Å; K322-E348 HydrophobicContact CG-CB 4.37Å; K322-Y350 HydrophobicContact CD-CD2 4.35Å; K322-Y350 HydrophobicContact CD-CE2 3.95Å; K322-Y350 HydrophobicContact CG-CD2 3.98Å; K322-Y350 HydrophobicContact CG-CE2 3.9Å
323	V	98.1	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123	-177.9	-170.9	0	0	0	0	109.8	I278 L280 F318 K321 M325 L340 C346 E348 Y350	I278-V323 HydrophobicContact CB-CG1 4.45Å; I278-V323 HydrophobicContact CB-CG2 4.46Å; I278-V323 HydrophobicContact CG2-CG1 4.48Å; I278-V323 CarbonylContact O-C 3.54Å; I278-V323 WeakPolarHBondContact O-CA 3.28Å; L280-V323 HydrophobicContact CB-CG1 3.93Å; L280-V323 HydrophobicContact CD2-CG1 4.14Å; F318-V323 HydrophobicContact CD1-CG2 4.05Å; K321-V323 HydrophobicContact CB-CG2 4.41Å; V323-M325 HydrophobicContact CG1-CG 3.8Å; V323-M325 HydrophobicContact CG1-SD 4.49Å; V323-L340 HydrophobicContact CB-CD2 4.12Å; V323-L340 HydrophobicContact CG1-CD2 3.9Å; V323-L340 HydrophobicContact CG2-CD2 4.11Å; V323-C346 HydrophobicContact CG2-CB 4.49Å; V323-E348 PolarHBondContact N-O 2.91Å; V323-Y350 PolarHBondContact O-N 3.3Å
324	L	98.3	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108.6	173.9	-55.2	176.8	0	0	0	108.2	L255 F260 E263 V264 T277 I278 L279 L280 Y350	L255-L324 HydrophobicContact CD1-CD2 4.1Å; F260-L324 HydrophobicContact CE2-CB 3.88Å; F260-L324 HydrophobicContact CZ-CB 4.29Å; E263-L324 HydrophobicContact CB-CD1 3.68Å; E263-L324 HydrophobicContact CB-CD2 4.06Å; E263-L324 HydrophobicContact CG-CD2 4.36Å; V264-L324 HydrophobicContact CG2-CD1 4.43Å; T277-L324 HydrophobicContact CG2-CD1 3.81Å; T277-L324 HydrophobicContact CG2-CG 3.9Å; I278-L324 PolarHBondContact O-N 3.19Å; L279-L324 CarbonylContact C-O 3.53Å; L279-L324 WeakPolarHBondContact CA-O 3.36Å; L279-L324 HydrophobicContact CD1-CB 3.87Å; L280-L324 PolarHBondContact N-O 3.42Å; L324-Y350 HydrophobicContact CD2-CD2 4.02Å; L324-Y350 HydrophobicContact CD2-CG 4.23Å
325	M	98.6	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.7	-175.7	-60.9	179.7	68	0	0	111.4	L280 C282 F307 V323 S337 L340 V349 Y350 Q351 L352	L280-M325 HydrophobicContact CB-CG 4.27Å; L280-M325 HydrophobicContact CD2-CE 4.06Å; L280-M325 HydrophobicContact CD2-CG 4.24Å; L280-M325 HydrophobicContact CD2-SD 4.48Å; L280-M325 WeakPolarHBondContact O-CA 3.29Å; C282-M325 WeakPolarHBondContact SG-CE 3.35Å; F307-M325 HydrophobicContact CE1-CE 4.15Å; F307-M325 HydrophobicContact CZ-CE 3.69Å; V323-M325 HydrophobicContact CG1-CG 3.8Å; V323-M325 HydrophobicContact CG1-SD 4.49Å; M325-S337 VanDerWaalsContact SD-CA 3.54Å; M325-S337 VanDerWaalsContact SD-CB 3.54Å; M325-L340 HydrophobicContact SD-CD2 3.92Å; M325-V349 HydrophobicContact CG-CG1 4.43Å; M325-V349 HydrophobicContact SD-CG1 3.63Å; M325-Y350 WeakPolarHBondContact CB-O 3.4Å; M325-Y350 PolarHBondContact N-O 3.09Å; M325-Q351 HydrophobicContact CB-CB 4.38Å; M325-Q351 CarbonylContact O-C 3.58Å; M325-Q351 VanDerWaalsContact O-CA 3.3Å; M325-Q351 WeakPolarHBondContact O-CA 3.49Å; M325-L352 PolarHBondContact O-N 3.44Å
326	Y	98.6	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.1	173.1	70.8	-90.3	0	0	0	112.4	F260 L279 L280 D281 C282 F293 C296 C333 I356	F260-Y326 HydrophobicContact CZ-CD1 4.29Å; L279-Y326 HydrophobicContact CD1-CD1 3.71Å; L279-Y326 HydrophobicContact CD1-CE1 3.9Å; L279-Y326 HydrophobicContact CG-CD1 4.29Å; L279-Y326 HydrophobicContact CG-CE1 3.95Å; L280-Y326 WeakPolarHBondContact O-CD1 3.31Å; L280-Y326 PolarHBondContact O-N 3.19Å; D281-Y326 HydrophobicContact CB-CE1 4.07Å; D281-Y326 HydrophobicContact CB-CE2 3.94Å; D281-Y326 VanDerWaalsContact CB-CZ 3.5Å; D281-Y326 VanDerWaalsContact CB-OH 3.28Å; D281-Y326 WeakPolarHBondContact CB-OH 3.45Å; D281-Y326 VanDerWaalsContact CG-OH 3.23Å; D281-Y326 WeakPolarHBondContact OD1-CE2 3.17Å; D281-Y326 WeakPolarHBondContact OD2-CE2 3.24Å; D281-Y326 PolarHBondContact OD2-OH 2.65Å; C282-Y326 WeakPolarHBondContact CB-O 2.93Å; C282-Y326 PolarHBondContact N-O 3.31Å; F293-Y326 HydrophobicContact CB-CE1 4.16Å; F293-Y326 AromaticContact CD2-CD1 3.77Å; F293-Y326 HydrophobicContact CD2-CD1 3.77Å; F293-Y326 AromaticContact CD2-CD2 3.82Å; F293-Y326 HydrophobicContact CD2-CD2 3.82Å; F293-Y326 AromaticContact CD2-CE1 3.6Å; F293-Y326 HydrophobicContact CD2-CE1 3.6Å; F293-Y326 AromaticContact CD2-CE2 3.67Å; F293-Y326 HydrophobicContact CD2-CE2 3.67Å; F293-Y326 AromaticContact CD2-CG 3.86Å; F293-Y326 HydrophobicContact CD2-CG 3.86Å; F293-Y326 AromaticContact CD2-CZ 3.55Å; F293-Y326 HydrophobicContact CE2-CD1 4.19Å; F293-Y326 AromaticContact CE2-CD2 3.91Å; F293-Y326 HydrophobicContact CE2-CD2 3.91Å; F293-Y326 HydrophobicContact CE2-CE1 4.44Å; F293-Y326 HydrophobicContact CE2-CE2 4.2Å; F293-Y326 AromaticContact CE2-CG 3.9Å; F293-Y326 HydrophobicContact CE2-CG 3.9Å; F293-Y326 HydrophobicContact CG-CE1 4.27Å; F293-Y326 PolarHBondContact N-OH 2.86Å; C296-Y326 HydrophobicContact CB-CE1 4.01Å; C296-Y326 WeakPolarHBondContact CB-OH 3.28Å; C296-Y326 PolarHBondContact SG-OH 2.61Å; Y326-C333 WeakPolarHBondContact CA-SG 3.47Å; Y326-I356 HydrophobicContact CD2-CD1 3.69Å; Y326-I356 HydrophobicContact CD2-CG1 3.69Å; Y326-I356 HydrophobicContact CE2-CD1 3.88Å; Y326-I356 HydrophobicContact CE2-CG1 4.25Å
327	C	98.1	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.			trans	-151.9	-173.7	167.2	70.2	0	0	0	0	109.4	C282 R283 G329 G330 R332 C333 G355 I356	C282-C327 HydrophobicContact CB-CB 4.24Å; R283-C327 HydrophobicContact CG-CB 3.92Å; C327-G329 PolarHBondContact O-N 3.18Å; C327-G330 WeakPolarHBondContact SG-CA 3.3Å; C327-G330 PolarHBondContact SG-N 3.07Å; C327-R332 HydrophobicContact CB-CB 4.09Å; C327-C333 PolarHBondContact N-SG 2.88Å; C327-C333 VanDerWaalsContact N-SG 3.41Å; C327-C333 VanDerWaalsContact SG-SG 3.61Å; C327-G355 VanDerWaalsContact O-CA 3.3Å; C327-G355 WeakPolarHBondContact O-CA 3.45Å; C327-I356 WeakPolarHBondContact O-CG1 3.4Å; C327-I356 PolarHBondContact O-N 2.82Å
328	T	96.8	Very high	97.3	Very high	9 Å²	9	17.4 Å²	17.4	6%	0.055	8%	0.082	C	C	.	.	S	Bend	trans	-52.8	-55.6	-176.2	-46	0	0	0	0	113.3	E287 R332 I356 H357 L372	E287-T328 PolarHBondContact OE2-OG1 3.37Å; T328-R332 PolarHBondContact OG1-NH2 2.79Å; T328-R332 VanDerWaalsContact OG1-NH2 3.14Å; T328-I356 PolarHBondContact O-N 3.14Å; T328-I356 VanDerWaalsContact O-N 3.12Å; T328-H357 PolarHBondContact O-N 2.9Å; T328-H357 VanDerWaalsContact O-N 3.09Å; T328-L372 HydrophobicContact CG2-CD1 3.84Å; T328-L372 HydrophobicContact CG2-CD2 4.14Å; T328-L372 HydrophobicContact CG2-CG 4.07Å
329	G	95.6	Very high	97.4	Very high	7 Å²	7	18.3 Å²	18.3	7%	0.072	9%	0.085	C	C	.	.	S	Bend	trans	-125.1	-2	-172.6	0	0	0	0	0	115.7	Y149 K216 C327 G354	Y149-G329 VanDerWaalsContact CE1-O 3.29Å; Y149-G329 WeakPolarHBondContact CE1-O 3.38Å; K216-G329 WeakPolarHBondContact CE-O 3.33Å; C327-G329 PolarHBondContact O-N 3.18Å; G329-G354 CarbonylContact O-C 3.6Å
330	G	96.9	Very high	97.5	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.01	7%	0.066	C	C	.	.	S	Bend	trans	107.6	-33.5	180	0	0	0	0	0	114.8	C327 R332 C333 E334	C327-G330 WeakPolarHBondContact SG-CA 3.3Å; C327-G330 PolarHBondContact SG-N 3.07Å; G330-R332 VanDerWaalsContact C-N 3.32Å; G330-R332 PolarHBondContact O-N 3.39Å; G330-R332 VanDerWaalsContact O-N 3.08Å; G330-C333 WeakPolarHBondContact O-CA 3.49Å; G330-C333 WeakPolarHBondContact O-CB 3.48Å; G330-C333 PolarHBondContact O-N 2.66Å; G330-E334 PolarHBondContact O-N 2.68Å
331	I	97.9	Very high	97.6	Very high	18 Å²	18	13.3 Å²	13.3	9%	0.092	6%	0.058	C	C	.	.	H	α-helix	trans	-53	-38.7	-170.3	-166.9	179.1	0	0	0	115.9	Y149 Y151 N185 I236 V237	Y149-I331 HydrophobicContact CD1-CB 3.74Å; Y149-I331 HydrophobicContact CD1-CG1 4.37Å; Y149-I331 HydrophobicContact CD2-CB 4.04Å; Y149-I331 HydrophobicContact CD2-CD1 4.48Å; Y149-I331 HydrophobicContact CD2-CG1 3.89Å; Y149-I331 HydrophobicContact CE1-CB 4.09Å; Y149-I331 HydrophobicContact CE2-CB 4.36Å; Y149-I331 HydrophobicContact CE2-CG1 4.49Å; Y149-I331 HydrophobicContact CG-CB 3.71Å; Y149-I331 HydrophobicContact CG-CD1 4.11Å; Y149-I331 HydrophobicContact CG-CG1 3.81Å; Y151-I331 HydrophobicContact CE2-CG1 3.85Å; Y151-I331 PolarHBondContact OH-O 3.43Å; N185-I331 HydrophobicContact CB-CD1 3.49Å; N185-I331 VanDerWaalsContact CB-CD1 3.49Å; N185-I331 WeakPolarHBondContact ND2-CD1 3.47Å; I236-I331 HydrophobicContact CD1-CD1 4.1Å; I236-I331 HydrophobicContact CG1-CD1 4.13Å; V237-I331 HydrophobicContact CB-CD1 3.92Å; V237-I331 HydrophobicContact CB-CG1 4.14Å; V237-I331 HydrophobicContact CG1-CD1 4.22Å; V237-I331 HydrophobicContact CG1-CG1 3.96Å
332	R	98.3	Very high	97.6	Very high	13 Å²	13	14 Å²	14	5%	0.049	7%	0.069	C	C	.	.	H	α-helix	trans	-71	-33.6	178.2	-78.2	179.1	-78.8	-159.6	-9.9	111.9	V237 C282 R283 E287 F304 C327 T328 G330 E334 R335 G336	V237-R332 HydrophobicContact CG2-CG 3.71Å; C282-R332 HydrophobicContact CB-CB 4.37Å; C282-R332 WeakPolarHBondContact O-CD 3Å; R283-R332 VanDerWaalsContact CA-NH1 3.32Å; E287-R332 IonicContact OE1-CZ 2.69Å; E287-R332 IonicContact OE1-NH1 3.09Å; E287-R332 PolarHBondContact OE1-NH1 3.23Å; E287-R332 IonicContact OE1-NH2 2.65Å; E287-R332 IonicContact OE2-CZ 3.24Å; E287-R332 IonicContact OE2-NH1 3.75Å; E287-R332 PolarHBondContact OE2-NH1 2.94Å; E287-R332 IonicContact OE2-NH2 3.95Å; E287-R332 PolarHBondContact OE2-NH2 3.15Å; F304-R332 HydrophobicContact CD1-CG 3.84Å; F304-R332 HydrophobicContact CD2-CB 4.19Å; F304-R332 HydrophobicContact CD2-CG 3.92Å; F304-R332 HydrophobicContact CE1-CB 4.12Å; F304-R332 HydrophobicContact CE1-CG 3.9Å; F304-R332 HydrophobicContact CE2-CB 3.81Å; F304-R332 HydrophobicContact CE2-CG 4.02Å; F304-R332 HydrophobicContact CG-CG 3.84Å; F304-R332 HydrophobicContact CZ-CB 3.78Å; F304-R332 HydrophobicContact CZ-CG 4.01Å; F304-R332 VanDerWaalsContact CZ-O 3.26Å; F304-R332 WeakPolarHBondContact CZ-O 3.41Å; C327-R332 HydrophobicContact CB-CB 4.09Å; T328-R332 PolarHBondContact OG1-NH2 2.79Å; T328-R332 VanDerWaalsContact OG1-NH2 3.14Å; G330-R332 VanDerWaalsContact C-N 3.32Å; G330-R332 PolarHBondContact O-N 3.39Å; G330-R332 VanDerWaalsContact O-N 3.08Å; R332-E334 VanDerWaalsContact C-N 3.27Å; R332-E334 PolarHBondContact O-N 2.9Å; R332-R335 PolarHBondContact O-N 3.2Å; R332-G336 PolarHBondContact O-N 3.4Å
333	C	98.3	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-33.1	179.9	-60.4	0	0	0	0	110.8	Y326 C327 G330 R335 G336 S337 Q351	Y326-C333 WeakPolarHBondContact CA-SG 3.47Å; C327-C333 PolarHBondContact N-SG 2.88Å; C327-C333 VanDerWaalsContact N-SG 3.41Å; C327-C333 VanDerWaalsContact SG-SG 3.61Å; G330-C333 WeakPolarHBondContact O-CA 3.49Å; G330-C333 WeakPolarHBondContact O-CB 3.48Å; G330-C333 PolarHBondContact O-N 2.66Å; C333-R335 PolarHBondContact O-N 3.27Å; C333-G336 PolarHBondContact O-N 3Å; C333-S337 WeakPolarHBondContact O-CB 3.47Å; C333-S337 PolarHBondContact O-N 3.07Å; C333-S337 PolarHBondContact O-OG 3.17Å; C333-Q351 HydrophobicContact CB-CB 3.88Å; C333-Q351 PolarHBondContact O-OE1 3.5Å
334	E	97.9	Very high	97.4	Very high	17 Å²	17	22.6 Å²	22.6	8%	0.079	11%	0.113	C	C	.	.	H	α-helix	trans	-57.1	-49.6	178	-55.1	-63.7	176.4	0	0	111.7	Y149 Y151 H254 G330 R332 A338 Q351	Y149-E334 HydrophobicContact CE2-CG 3.83Å; Y149-E334 PolarHBondContact OH-OE1 3.25Å; Y151-E334 HydrophobicContact CD2-CB 4.07Å; Y151-E334 HydrophobicContact CD2-CG 3.88Å; Y151-E334 HydrophobicContact CE2-CB 3.5Å; Y151-E334 VanDerWaalsContact CE2-CB 3.5Å; Y151-E334 HydrophobicContact CE2-CG 3.51Å; H254-E334 IonicContact CD2-OE1 2.92Å; H254-E334 IonicContact CE1-OE1 3.9Å; H254-E334 IonicContact CE1-OE2 3.54Å; H254-E334 PolarHBondContact CE1-OE2 3.37Å; H254-E334 IonicContact NE2-OE1 2.88Å; H254-E334 PolarHBondContact NE2-OE1 2.52Å; H254-E334 IonicContact NE2-OE2 3.32Å; H254-E334 PolarHBondContact NE2-OE2 3.2Å; H254-E334 VanDerWaalsContact NE2-OE2 3.15Å; G330-E334 PolarHBondContact O-N 2.68Å; R332-E334 VanDerWaalsContact C-N 3.27Å; R332-E334 PolarHBondContact O-N 2.9Å; E334-A338 WeakPolarHBondContact O-CB 3.15Å; E334-A338 PolarHBondContact O-N 3.34Å; E334-Q351 PolarHBondContact OE2-NE2 3.19Å
335	R	97.3	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-76.5	-43.6	177.7	-63	-78.2	-64.3	170.9	14.6	112	Y151 E182 V237 M239 V241 D242 P243 V246 F304 R332 C333 A338 Y339	Y151-R335 HydrophobicContact CE1-CG 4.26Å; Y151-R335 VanDerWaalsContact OH-CG 3.23Å; Y151-R335 WeakPolarHBondContact OH-CG 3.46Å; E182-R335 IonicContact OE2-CZ 2.92Å; E182-R335 IonicContact OE2-NE 3.28Å; E182-R335 IonicContact OE2-NH1 3.88Å; E182-R335 PolarHBondContact OE2-NH1 2.95Å; E182-R335 VanDerWaalsContact OE2-NH1 3.09Å; V237-R335 HydrophobicContact CG1-CG 4.03Å; M239-R335 HydrophobicContact CE-CB 4.04Å; M239-R335 HydrophobicContact SD-CB 3.61Å; V241-R335 PolarHBondContact O-NH2 3.02Å; D242-R335 PolarHBondContact O-NH2 3.28Å; P243-R335 VanDerWaalsContact CA-NH1 3.3Å; V246-R335 PolarHBondContact O-NH1 3.21Å; V246-R335 PolarHBondContact O-NH2 3.08Å; F304-R335 HydrophobicContact CE1-CB 4.4Å; R332-R335 PolarHBondContact O-N 3.2Å; C333-R335 PolarHBondContact O-N 3.27Å; R335-A338 PolarHBondContact O-N 2.86Å; R335-Y339 PolarHBondContact O-N 3.33Å
336	G	97.8	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.8	-41.1	-175.2	0	0	0	0	0	112.8	R332 C333 Y339 L340	R332-G336 PolarHBondContact O-N 3.4Å; C333-G336 PolarHBondContact O-N 3Å; G336-Y339 PolarHBondContact O-N 3.44Å; G336-L340 PolarHBondContact O-N 2.82Å
337	S	98.1	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-71.2	-36.7	175.9	66.4	0	0	0	0	111.7	A251 G252 M325 C333 Y339 L340 R341 Q351	A251-S337 WeakPolarHBondContact CA-OG 3.19Å; G252-S337 PolarHBondContact N-OG 3.16Å; M325-S337 VanDerWaalsContact SD-CA 3.54Å; M325-S337 VanDerWaalsContact SD-CB 3.54Å; C333-S337 WeakPolarHBondContact O-CB 3.47Å; C333-S337 PolarHBondContact O-N 3.07Å; C333-S337 PolarHBondContact O-OG 3.17Å; S337-Y339 VanDerWaalsContact C-N 3.31Å; S337-Y339 PolarHBondContact O-N 3.33Å; S337-L340 PolarHBondContact O-N 2.66Å; S337-R341 WeakPolarHBondContact O-CB 3.25Å; S337-R341 WeakPolarHBondContact O-CG 3.36Å; S337-R341 PolarHBondContact O-N 3.09Å; S337-Q351 PolarHBondContact OG-OE1 3.11Å
338	A	97.8	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-42.4	170.7	0	0	0	0	0	112	V246 S247 L250 E334 R335 S342	V246-A338 HydrophobicContact CG1-CB 3.9Å; S247-A338 WeakPolarHBondContact O-CB 3.4Å; L250-A338 HydrophobicContact CB-CB 3.97Å; L250-A338 WeakPolarHBondContact O-CA 3.4Å; E334-A338 WeakPolarHBondContact O-CB 3.15Å; E334-A338 PolarHBondContact O-N 3.34Å; R335-A338 PolarHBondContact O-N 2.86Å; A338-S342 PolarHBondContact O-N 2.82Å
339	Y	98.1	Very high	96.9	Very high	19 Å²	19	35 Å²	35	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-45.7	174.8	-169.3	-95.1	0	0	0	112.1	M239 V241 V246 P308 I311 D312 R335 G336 S337 R341 S342 K343	M239-Y339 HydrophobicContact CE-CD2 4.15Å; M239-Y339 HydrophobicContact CE-CG 4.43Å; V241-Y339 HydrophobicContact CG2-CD2 4.19Å; V241-Y339 HydrophobicContact CG2-CE2 3.97Å; V246-Y339 HydrophobicContact CG2-CD2 4.08Å; P308-Y339 HydrophobicContact CB-CD1 4.22Å; P308-Y339 HydrophobicContact CB-CD2 4.32Å; P308-Y339 HydrophobicContact CB-CE1 3.69Å; P308-Y339 HydrophobicContact CB-CE2 3.82Å; P308-Y339 VanDerWaalsContact CB-CZ 3.46Å; P308-Y339 HydrophobicContact CG-CE2 4.46Å; P308-Y339 WeakPolarHBondContact O-CE1 3.39Å; I311-Y339 HydrophobicContact CB-CD1 4.19Å; I311-Y339 HydrophobicContact CB-CE1 4.05Å; I311-Y339 HydrophobicContact CG1-CD1 4.37Å; I311-Y339 HydrophobicContact CG2-CD1 4.24Å; I311-Y339 HydrophobicContact CG2-CE1 4.18Å; D312-Y339 PolarHBondContact OD1-OH 3.49Å; D312-Y339 PolarHBondContact OD2-OH 2.96Å; R335-Y339 PolarHBondContact O-N 3.33Å; G336-Y339 PolarHBondContact O-N 3.44Å; S337-Y339 VanDerWaalsContact C-N 3.31Å; S337-Y339 PolarHBondContact O-N 3.33Å; Y339-R341 VanDerWaalsContact C-N 3.35Å; Y339-R341 PolarHBondContact O-N 3.12Å; Y339-S342 PolarHBondContact O-N 3.49Å; Y339-S342 PolarHBondContact O-OG 3.1Å; Y339-K343 VanDerWaalsContact CZ-NZ 3.34Å; Y339-K343 WeakPolarHBondContact OH-CE 3.32Å; Y339-K343 PolarHBondContact OH-NZ 3Å
340	L	97.6	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-40.5	178.9	-177.4	58.7	0	0	0	111.9	I311 F318 V323 M325 G336 S337 S342 K343 V349	I311-L340 HydrophobicContact CD1-CD1 4.2Å; I311-L340 HydrophobicContact CG2-CD1 3.71Å; F318-L340 HydrophobicContact CB-CD1 4.22Å; F318-L340 HydrophobicContact CD1-CD1 4.44Å; F318-L340 HydrophobicContact CD1-CD2 4.45Å; F318-L340 HydrophobicContact CD2-CD1 4.23Å; F318-L340 HydrophobicContact CG-CD1 4.03Å; V323-L340 HydrophobicContact CB-CD2 4.12Å; V323-L340 HydrophobicContact CG1-CD2 3.9Å; V323-L340 HydrophobicContact CG2-CD2 4.11Å; M325-L340 HydrophobicContact SD-CD2 3.92Å; G336-L340 PolarHBondContact O-N 2.82Å; S337-L340 PolarHBondContact O-N 2.66Å; L340-S342 VanDerWaalsContact C-N 3.33Å; L340-S342 PolarHBondContact O-N 2.84Å; L340-K343 WeakPolarHBondContact O-CB 3.42Å; L340-K343 PolarHBondContact O-N 3.28Å; L340-V349 HydrophobicContact CD2-CG1 4.3Å; L340-V349 HydrophobicContact CD2-CG2 4.15Å; L340-V349 HydrophobicContact CG-CG2 4.24Å
341	R	97.1	Very high	97.2	Very high	120 Å²	120	36.4 Å²	36.4	45%	0.453	18%	0.175	S	C	.	.	H	α-helix	trans	-64.4	-35.2	175.5	-76.9	-171.7	63.2	-140.3	-3	112.8	L250 A251 S337 Y339 K343 D344 V349	L250-R341 WeakPolarHBondContact O-CD 3.41Å; L250-R341 PolarHBondContact O-NH1 2.81Å; A251-R341 PolarHBondContact O-NH1 3.45Å; S337-R341 WeakPolarHBondContact O-CB 3.25Å; S337-R341 WeakPolarHBondContact O-CG 3.36Å; S337-R341 PolarHBondContact O-N 3.09Å; Y339-R341 VanDerWaalsContact C-N 3.35Å; Y339-R341 PolarHBondContact O-N 3.12Å; R341-K343 PolarHBondContact O-N 3.03Å; R341-D344 PolarHBondContact O-N 3.31Å; R341-D344 VanDerWaalsContact O-N 3.11Å; R341-V349 HydrophobicContact CG-CB 3.75Å; R341-V349 HydrophobicContact CG-CG1 4.29Å; R341-V349 HydrophobicContact CG-CG2 3.75Å
342	S	96.3	Very high	97.2	Very high	61 Å²	61	35.7 Å²	35.7	43%	0.427	17%	0.171	S	C	.	.	H	α-helix	trans	-67	-13.8	178.3	77	0	0	0	0	113.6	A338 Y339 L340	A338-S342 PolarHBondContact O-N 2.82Å; Y339-S342 PolarHBondContact O-N 3.49Å; Y339-S342 PolarHBondContact O-OG 3.1Å; L340-S342 VanDerWaalsContact C-N 3.33Å; L340-S342 PolarHBondContact O-N 2.84Å
343	K	96.1	Very high	97.2	Very high	61 Å²	61	40 Å²	40	27%	0.265	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.6	174.2	-55.9	-62.8	165.6	168.9	0	113.9	I311 D312 L315 Y339 L340 R341 V345	I311-K343 HydrophobicContact CG2-CG 4.15Å; D312-K343 WeakPolarHBondContact OD1-CE 3.39Å; D312-K343 IonicContact OD1-NZ 3.54Å; D312-K343 PolarHBondContact OD1-NZ 2.84Å; D312-K343 IonicContact OD2-NZ 2.73Å; L315-K343 HydrophobicContact CD2-CB 3.79Å; L315-K343 HydrophobicContact CD2-CD 4.21Å; L315-K343 HydrophobicContact CD2-CG 3.81Å; Y339-K343 VanDerWaalsContact CZ-NZ 3.34Å; Y339-K343 WeakPolarHBondContact OH-CE 3.32Å; Y339-K343 PolarHBondContact OH-NZ 3Å; L340-K343 WeakPolarHBondContact O-CB 3.42Å; L340-K343 PolarHBondContact O-N 3.28Å; R341-K343 PolarHBondContact O-N 3.03Å; K343-V345 HydrophobicContact CB-CG2 4.26Å; K343-V345 WeakPolarHBondContact O-CG1 3.29Å; K343-V345 PolarHBondContact O-N 2.85Å; K343-V345 VanDerWaalsContact O-N 3.15Å
344	D	94.8	Very high	97	Very high	148 Å²	148	40.4 Å²	40.4	79%	0.791	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	34.6	175.7	-159.3	38.7	0	0	0	114.4	R341	R341-D344 PolarHBondContact O-N 3.31Å; R341-D344 VanDerWaalsContact O-N 3.11Å
345	V	95.2	Very high	97	Very high	14 Å²	14	39.6 Å²	39.6	9%	0.085	19%	0.191	C	C	.	.			trans	-105.3	-24.8	176.8	-63.2	0	0	0	0	113	L315 F318 R319 N320 K343	L315-V345 HydrophobicContact CD2-CG1 4.44Å; L315-V345 HydrophobicContact CD2-CG2 4.07Å; F318-V345 HydrophobicContact CB-CG2 4.09Å; R319-V345 CarbonylContact C-O 3.5Å; R319-V345 VanDerWaalsContact CA-O 3.3Å; R319-V345 WeakPolarHBondContact CA-O 3.42Å; N320-V345 PolarHBondContact N-O 3.33Å; K343-V345 HydrophobicContact CB-CG2 4.26Å; K343-V345 WeakPolarHBondContact O-CG1 3.29Å; K343-V345 PolarHBondContact O-N 2.85Å; K343-V345 VanDerWaalsContact O-N 3.15Å
346	C	95.5	Very high	97	Very high	23 Å²	23	39.6 Å²	39.6	16%	0.155	19%	0.191	C	C	.	.			trans	-81.7	149.9	-177.3	-58.5	0	0	0	0	111.4	V323 V349	V323-C346 HydrophobicContact CG2-CB 4.49Å; C346-V349 HydrophobicContact CB-CG2 3.67Å
347	K	94.7	Very high	96.9	Very high	151 Å²	151	40.5 Å²	40.5	66%	0.657	20%	0.195	S	C	*	.	S	Bend	trans	-70.6	-50.1	168.9	-174.5	-170.7	173.3	-173.9	0	110.6	K321	K321-K347 PolarHBondContact O-N 3.29Å
348	E	96.5	Very high	96.8	Very high	73 Å²	73	42.7 Å²	42.7	34%	0.341	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	144.1	-178.4	-68.6	171.3	132.9	0	0	109.7	K321 K322 V323 Y350	K321-E348 PolarHBondContact O-N 2.64Å; K322-E348 CarbonylContact C-O 3.55Å; K322-E348 WeakPolarHBondContact CA-O 3.37Å; K322-E348 HydrophobicContact CG-CB 4.37Å; V323-E348 PolarHBondContact N-O 2.91Å; E348-Y350 HydrophobicContact CB-CD2 4.2Å; E348-Y350 HydrophobicContact CB-CE2 3.49Å; E348-Y350 VanDerWaalsContact CB-CE2 3.49Å; E348-Y350 VanDerWaalsContact CD-OH 3.28Å; E348-Y350 HydrophobicContact CG-CE2 4.24Å; E348-Y350 PolarHBondContact OE1-OH 3.17Å; E348-Y350 VanDerWaalsContact OE1-OH 3.05Å
349	V	98.3	Very high	96.8	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.3	176.1	-176.8	0	0	0	0	108.7	G252 T253 M325 L340 R341 C346	G252-V349 CarbonylContact C-O 3.57Å; G252-V349 VanDerWaalsContact CA-O 3.23Å; G252-V349 WeakPolarHBondContact CA-O 3.24Å; T253-V349 PolarHBondContact N-O 3.34Å; M325-V349 HydrophobicContact CG-CG1 4.43Å; M325-V349 HydrophobicContact SD-CG1 3.63Å; L340-V349 HydrophobicContact CD2-CG1 4.3Å; L340-V349 HydrophobicContact CD2-CG2 4.15Å; L340-V349 HydrophobicContact CG-CG2 4.24Å; R341-V349 HydrophobicContact CG-CB 3.75Å; R341-V349 HydrophobicContact CG-CG1 4.29Å; R341-V349 HydrophobicContact CG-CG2 3.75Å; C346-V349 HydrophobicContact CB-CG2 3.67Å
350	Y	98.6	Very high	96.6	Very high	35 Å²	35	43 Å²	43	14%	0.137	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	157.2	178.2	-62.2	-83.4	0	0	0	110.7	T253 L255 K322 V323 L324 M325 E348	T253-Y350 HydrophobicContact CG2-CD1 3.94Å; T253-Y350 HydrophobicContact CG2-CE1 3.96Å; T253-Y350 CarbonylContact O-C 3.53Å; T253-Y350 WeakPolarHBondContact O-CA 3.46Å; L255-Y350 HydrophobicContact CD1-CD1 3.92Å; L255-Y350 HydrophobicContact CD1-CG 3.9Å; L255-Y350 HydrophobicContact CD2-CD1 3.67Å; L255-Y350 HydrophobicContact CD2-CE1 4.13Å; L255-Y350 HydrophobicContact CD2-CG 4.49Å; L255-Y350 HydrophobicContact CG-CD1 3.76Å; L255-Y350 HydrophobicContact CG-CG 4.17Å; K322-Y350 HydrophobicContact CD-CD2 4.35Å; K322-Y350 HydrophobicContact CD-CE2 3.95Å; K322-Y350 HydrophobicContact CG-CD2 3.98Å; K322-Y350 HydrophobicContact CG-CE2 3.9Å; V323-Y350 PolarHBondContact O-N 3.3Å; L324-Y350 HydrophobicContact CD2-CD2 4.02Å; L324-Y350 HydrophobicContact CD2-CG 4.23Å; M325-Y350 WeakPolarHBondContact CB-O 3.4Å; M325-Y350 PolarHBondContact N-O 3.09Å; E348-Y350 HydrophobicContact CB-CD2 4.2Å; E348-Y350 HydrophobicContact CB-CE2 3.49Å; E348-Y350 VanDerWaalsContact CB-CE2 3.49Å; E348-Y350 VanDerWaalsContact CD-OH 3.28Å; E348-Y350 HydrophobicContact CG-CE2 4.24Å; E348-Y350 PolarHBondContact OE1-OH 3.17Å; E348-Y350 VanDerWaalsContact OE1-OH 3.05Å
351	Q	98.5	Very high	96.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.1	176	55.8	178.4	-5.2	0	0	112.6	G252 T253 H254 L255 M325 C333 E334 S337 K353	G252-Q351 PolarHBondContact O-NE2 2.94Å; G252-Q351 VanDerWaalsContact O-NE2 3.16Å; T253-Q351 PolarHBondContact O-N 3.45Å; H254-Q351 WeakPolarHBondContact CA-O 3.49Å; H254-Q351 PolarHBondContact CD2-NE2 2.79Å; H254-Q351 PolarHBondContact CE1-NE2 3.38Å; H254-Q351 PolarHBondContact NE2-NE2 2.85Å; L255-Q351 PolarHBondContact N-O 3.35Å; M325-Q351 HydrophobicContact CB-CB 4.38Å; M325-Q351 CarbonylContact O-C 3.58Å; M325-Q351 VanDerWaalsContact O-CA 3.3Å; M325-Q351 WeakPolarHBondContact O-CA 3.49Å; C333-Q351 HydrophobicContact CB-CB 3.88Å; C333-Q351 PolarHBondContact O-OE1 3.5Å; E334-Q351 PolarHBondContact OE2-NE2 3.19Å; S337-Q351 PolarHBondContact OG-OE1 3.11Å; Q351-K353 PolarHBondContact O-N 2.94Å
352	L	98.6	Very high	96.4	Very high	2 Å²	2	49 Å²	49	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	111.5	177	175.2	58.5	0	0	0	111.1	F260 F293 M325 G354 G355 Y359	F260-L352 HydrophobicContact CB-CD1 3.73Å; F260-L352 HydrophobicContact CD1-CB 4.41Å; F260-L352 HydrophobicContact CD1-CD1 4.03Å; F260-L352 HydrophobicContact CD1-CD2 4.23Å; F260-L352 HydrophobicContact CD1-CG 4.45Å; F260-L352 HydrophobicContact CD2-CB 3.72Å; F260-L352 HydrophobicContact CD2-CD1 4.24Å; F260-L352 HydrophobicContact CD2-CG 4.48Å; F260-L352 HydrophobicContact CE1-CB 4.42Å; F260-L352 HydrophobicContact CE1-CD2 4.19Å; F260-L352 HydrophobicContact CE2-CB 3.73Å; F260-L352 HydrophobicContact CG-CB 4.06Å; F260-L352 HydrophobicContact CG-CD1 3.75Å; F260-L352 HydrophobicContact CG-CG 4.33Å; F260-L352 HydrophobicContact CZ-CB 4.09Å; F293-L352 HydrophobicContact CE2-CD2 4.41Å; F293-L352 HydrophobicContact CZ-CD2 4.33Å; M325-L352 PolarHBondContact O-N 3.44Å; L352-G354 PolarHBondContact O-N 3.41Å; L352-G355 WeakPolarHBondContact CD2-O 3.29Å; L352-G355 PolarHBondContact O-N 3.47Å; L352-G355 VanDerWaalsContact O-N 3.12Å; L352-Y359 HydrophobicContact CD2-CG 4.44Å
353	K	97.6	Very high	96.3	Very high	105 Å²	105	48.3 Å²	48.3	46%	0.457	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	130.3	176.3	-168.1	-166.8	-177.4	177.6	0	110.6	H254 L255 D256 Q351 G355	H254-K353 HydrophobicContact CB-CB 4.31Å; L255-K353 WeakPolarHBondContact O-CB 3.45Å; L255-K353 PolarHBondContact O-N 2.93Å; D256-K353 WeakPolarHBondContact OD1-CD 3.35Å; D256-K353 WeakPolarHBondContact OD1-CE 3.41Å; D256-K353 IonicContact OD1-NZ 3.68Å; D256-K353 PolarHBondContact OD1-NZ 2.83Å; Q351-K353 PolarHBondContact O-N 2.94Å; K353-G355 PolarHBondContact O-N 3.03Å
354	G	95.8	Very high	96.1	Very high	8 Å²	8	48.5 Å²	48.5	8%	0.082	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	0.8	-176.2	0	0	0	0	0	115.1	K216 G329 L352	K216-G354 WeakPolarHBondContact CE-O 3.25Å; G329-G354 CarbonylContact O-C 3.6Å; L352-G354 PolarHBondContact O-N 3.41Å
355	G	97.3	Very high	95.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	64.9	-167.8	176.3	0	0	0	0	0	114.6	C327 L352 K353 H357 K358 Y359	C327-G355 VanDerWaalsContact O-CA 3.3Å; C327-G355 WeakPolarHBondContact O-CA 3.45Å; L352-G355 WeakPolarHBondContact CD2-O 3.29Å; L352-G355 PolarHBondContact O-N 3.47Å; L352-G355 VanDerWaalsContact O-N 3.12Å; K353-G355 PolarHBondContact O-N 3.03Å; G355-H357 PolarHBondContact O-N 3.47Å; G355-H357 VanDerWaalsContact O-N 3.15Å; G355-K358 PolarHBondContact O-N 2.91Å; G355-Y359 PolarHBondContact O-N 3.11Å
356	I	97.6	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-53.8	-36.3	179.3	-60.7	156.4	0	0	0	110.8	R283 F293 Y326 C327 T328 K358 Y359 L360 Y368 L372	R283-I356 VanDerWaalsContact CZ-CD1 3.49Å; F293-I356 HydrophobicContact CE2-CG1 4.06Å; Y326-I356 HydrophobicContact CD2-CD1 3.69Å; Y326-I356 HydrophobicContact CD2-CG1 3.69Å; Y326-I356 HydrophobicContact CE2-CD1 3.88Å; Y326-I356 HydrophobicContact CE2-CG1 4.25Å; C327-I356 WeakPolarHBondContact O-CG1 3.4Å; C327-I356 PolarHBondContact O-N 2.82Å; T328-I356 PolarHBondContact O-N 3.14Å; T328-I356 VanDerWaalsContact O-N 3.12Å; I356-K358 PolarHBondContact O-N 3.46Å; I356-Y359 PolarHBondContact O-N 3.46Å; I356-L360 HydrophobicContact CG2-CD1 3.62Å; I356-L360 HydrophobicContact CG2-CG 3.84Å; I356-L360 VanDerWaalsContact O-CG 3.3Å; I356-L360 WeakPolarHBondContact O-CG 3.33Å; I356-L360 PolarHBondContact O-N 3.02Å; I356-Y368 HydrophobicContact CB-CE2 4.49Å; I356-Y368 HydrophobicContact CD1-CD2 4.37Å; I356-Y368 HydrophobicContact CD1-CE2 3.61Å; I356-Y368 HydrophobicContact CG1-CD2 4.23Å; I356-Y368 HydrophobicContact CG1-CE2 3.96Å; I356-Y368 HydrophobicContact CG2-CD1 4.28Å; I356-Y368 HydrophobicContact CG2-CD2 3.76Å; I356-Y368 HydrophobicContact CG2-CE1 4.22Å; I356-Y368 HydrophobicContact CG2-CE2 3.68Å; I356-Y368 HydrophobicContact CG2-CG 4.06Å; I356-L372 HydrophobicContact CB-CD1 3.89Å; I356-L372 HydrophobicContact CB-CD2 4.43Å; I356-L372 HydrophobicContact CD1-CD1 3.77Å; I356-L372 HydrophobicContact CG1-CD1 4.47Å; I356-L372 HydrophobicContact CG2-CD1 3.76Å; I356-L372 HydrophobicContact CG2-CD2 4.19Å; I356-L372 HydrophobicContact CG2-CG 4.48Å
357	H	95.4	Very high	95.9	Very high	18 Å²	18	48.9 Å²	48.9	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-54.9	-52.6	179.5	-162.5	-65	0	0	0	112.7	K216 T217 T328 G355 Y359 L360 E361 L372	K216-H357 HydrophobicContact CD-CB 3.97Å; K216-H357 HydrophobicContact CG-CB 4.34Å; T217-H357 PolarHBondContact O-CE1 2.68Å; T217-H357 PolarHBondContact O-NE2 2.64Å; T328-H357 PolarHBondContact O-N 2.9Å; T328-H357 VanDerWaalsContact O-N 3.09Å; G355-H357 PolarHBondContact O-N 3.47Å; G355-H357 VanDerWaalsContact O-N 3.15Å; H357-Y359 VanDerWaalsContact C-N 3.34Å; H357-L360 PolarHBondContact O-N 3.02Å; H357-E361 IonicContact CE1-OE1 3.57Å; H357-E361 PolarHBondContact CE1-OE1 2.86Å; H357-E361 IonicContact ND1-OE1 3.7Å; H357-E361 PolarHBondContact ND1-OE1 3.26Å; H357-E361 WeakPolarHBondContact O-CG 3.35Å; H357-E361 PolarHBondContact O-N 3.29Å; H357-E361 VanDerWaalsContact O-N 3.16Å; H357-L372 HydrophobicContact CB-CD2 4.45Å
358	K	95.6	Very high	96	Very high	46 Å²	46	41.7 Å²	41.7	20%	0.2	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-31.4	178.6	-70.7	-55.6	-172.5	-174.9	0	112.6	E213 P257 G355 I356 E361 R362	E213-K358 VanDerWaalsContact O-CE 3.26Å; E213-K358 WeakPolarHBondContact O-CE 3.43Å; P257-K358 HydrophobicContact CG-CB 4.22Å; G355-K358 PolarHBondContact O-N 2.91Å; I356-K358 PolarHBondContact O-N 3.46Å; K358-E361 WeakPolarHBondContact CD-OE2 3.48Å; K358-E361 IonicContact NZ-OE1 3.15Å; K358-E361 PolarHBondContact NZ-OE1 3.03Å; K358-E361 IonicContact NZ-OE2 3.41Å; K358-E361 PolarHBondContact NZ-OE2 2.72Å; K358-R362 PolarHBondContact O-N 2.82Å
359	Y	97.1	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-43.4	172.9	179.8	-87.1	0	0	0	112.2	F260 H261 F293 L352 G355 I356 H357 R362 F363 F367	F260-Y359 HydrophobicContact CD1-CD2 4.29Å; F260-Y359 HydrophobicContact CD1-CE2 4.38Å; H261-Y359 HydrophobicContact CB-CE2 3.93Å; H261-Y359 AromaticContact ND1-CE2 3.76Å; H261-Y359 AromaticContact ND1-CZ 3.64Å; H261-Y359 PolarHBondContact ND1-OH 2.79Å; F293-Y359 AromaticContact CE1-CD1 3.92Å; F293-Y359 HydrophobicContact CE1-CD1 3.92Å; F293-Y359 HydrophobicContact CE1-CD2 4.31Å; F293-Y359 AromaticContact CE1-CE1 3.53Å; F293-Y359 HydrophobicContact CE1-CE1 3.53Å; F293-Y359 AromaticContact CE1-CE2 3.95Å; F293-Y359 HydrophobicContact CE1-CE2 3.95Å; F293-Y359 HydrophobicContact CE1-CG 4.29Å; F293-Y359 AromaticContact CE1-CZ 3.55Å; F293-Y359 AromaticContact CZ-CD1 3.67Å; F293-Y359 HydrophobicContact CZ-CD1 3.67Å; F293-Y359 HydrophobicContact CZ-CD2 4.08Å; F293-Y359 AromaticContact CZ-CE1 3.81Å; F293-Y359 HydrophobicContact CZ-CE1 3.81Å; F293-Y359 HydrophobicContact CZ-CE2 4.19Å; F293-Y359 AromaticContact CZ-CG 3.82Å; F293-Y359 HydrophobicContact CZ-CG 3.82Å; L352-Y359 HydrophobicContact CD2-CG 4.44Å; G355-Y359 PolarHBondContact O-N 3.11Å; I356-Y359 PolarHBondContact O-N 3.46Å; H357-Y359 VanDerWaalsContact C-N 3.34Å; Y359-R362 PolarHBondContact O-N 2.79Å; Y359-F363 HydrophobicContact CD1-CB 4.46Å; Y359-F363 HydrophobicContact CD2-CD2 4.07Å; Y359-F363 HydrophobicContact CE1-CB 3.99Å; Y359-F363 HydrophobicContact CE2-CB 4.42Å; Y359-F363 AromaticContact CE2-CD2 3.88Å; Y359-F363 HydrophobicContact CE2-CD2 3.88Å; Y359-F363 HydrophobicContact CE2-CG 4.42Å; Y359-F363 WeakPolarHBondContact O-CA 3.4Å; Y359-F363 PolarHBondContact O-N 3.2Å; Y359-F367 WeakPolarHBondContact OH-CD2 3.15Å; Y359-F367 PolarHBondContact OH-N 3.42Å
360	L	95.1	Very high	95.8	Very high	25 Å²	25	41.5 Å²	41.5	13%	0.131	19%	0.189	C	C	.	.	H	α-helix	trans	-72.1	-32.9	-179.4	-67.8	177.5	0	0	0	113.5	I356 H357 R362 P364 Y368 L372 S383	I356-L360 HydrophobicContact CG2-CD1 3.62Å; I356-L360 HydrophobicContact CG2-CG 3.84Å; I356-L360 VanDerWaalsContact O-CG 3.3Å; I356-L360 WeakPolarHBondContact O-CG 3.33Å; I356-L360 PolarHBondContact O-N 3.02Å; H357-L360 PolarHBondContact O-N 3.02Å; L360-R362 PolarHBondContact O-N 2.97Å; L360-P364 WeakPolarHBondContact O-CA 3.24Å; L360-P364 WeakPolarHBondContact O-CD 3.28Å; L360-Y368 HydrophobicContact CD1-CD1 4.32Å; L360-Y368 HydrophobicContact CD2-CD1 4.07Å; L360-Y368 HydrophobicContact CD2-CG 4.25Å; L360-L372 HydrophobicContact CD1-CB 4.41Å; L360-L372 HydrophobicContact CD1-CD2 4.36Å; L360-S383 VanDerWaalsContact CD1-CB 3.45Å; L360-S383 WeakPolarHBondContact CD1-OG 3.2Å; L360-S383 WeakPolarHBondContact CD2-OG 3.5Å
361	E	93.6	Very high	95.6	Very high	101 Å²	101	41.3 Å²	41.3	47%	0.472	19%	0.189	S	C	.	.	H	α-helix	trans	-57.3	-37.3	169.5	-74.2	171.6	-154.9	0	0	111.1	H357 K358	H357-E361 IonicContact CE1-OE1 3.57Å; H357-E361 PolarHBondContact CE1-OE1 2.86Å; H357-E361 IonicContact ND1-OE1 3.7Å; H357-E361 PolarHBondContact ND1-OE1 3.26Å; H357-E361 WeakPolarHBondContact O-CG 3.35Å; H357-E361 PolarHBondContact O-N 3.29Å; H357-E361 VanDerWaalsContact O-N 3.16Å; K358-E361 WeakPolarHBondContact CD-OE2 3.48Å; K358-E361 IonicContact NZ-OE1 3.15Å; K358-E361 PolarHBondContact NZ-OE1 3.03Å; K358-E361 IonicContact NZ-OE2 3.41Å; K358-E361 PolarHBondContact NZ-OE2 2.72Å
362	R	95.7	Very high	95.4	Very high	145 Å²	145	41.2 Å²	41.2	55%	0.547	19%	0.189	S	C	.	.	H	α-helix	trans	-89.2	-36.9	-176.8	-170.8	53.4	164.4	145	-1.2	114.1	P257 E258 K358 Y359 L360	P257-R362 HydrophobicContact CB-CB 4.09Å; P257-R362 HydrophobicContact CB-CG 4.27Å; E258-R362 IonicContact OE1-CZ 3.65Å; E258-R362 VanDerWaalsContact OE1-CZ 3.24Å; E258-R362 IonicContact OE1-NE 3.88Å; E258-R362 PolarHBondContact OE1-NE 2.9Å; E258-R362 IonicContact OE1-NH2 2.69Å; E258-R362 PolarHBondContact OE1-NH2 2.75Å; K358-R362 PolarHBondContact O-N 2.82Å; Y359-R362 PolarHBondContact O-N 2.79Å; L360-R362 PolarHBondContact O-N 2.97Å
363	F	95.1	Very high	95.3	Very high	47 Å²	47	41.5 Å²	41.5	21%	0.206	19%	0.19	C	C	.	.			trans	-133.7	70.3	-174.5	-59.8	-77.7	0	0	0	110.4	P257 E258 H261 Y359 E365 G366	P257-F363 HydrophobicContact CB-CE2 4.24Å; P257-F363 WeakPolarHBondContact O-CE2 3.12Å; E258-F363 HydrophobicContact CB-CZ 4.49Å; E258-F363 HydrophobicContact CG-CE2 4.35Å; E258-F363 HydrophobicContact CG-CZ 4.06Å; H261-F363 HydrophobicContact CB-CD2 4.12Å; H261-F363 HydrophobicContact CB-CE1 4.32Å; H261-F363 HydrophobicContact CB-CE2 3.65Å; H261-F363 HydrophobicContact CB-CZ 3.76Å; H261-F363 AromaticContact CE1-CD1 3.61Å; H261-F363 AromaticContact CE1-CE1 3.97Å; H261-F363 AromaticContact CE1-CG 3.98Å; H261-F363 AromaticContact CG-CE1 3.85Å; H261-F363 AromaticContact CG-CE2 3.99Å; H261-F363 AromaticContact CG-CZ 3.81Å; H261-F363 AromaticContact ND1-CD1 3.37Å; H261-F363 WeakPolarHBondContact ND1-CD1 3.32Å; H261-F363 AromaticContact ND1-CD2 3.68Å; H261-F363 AromaticContact ND1-CE1 3.64Å; H261-F363 AromaticContact ND1-CE2 3.94Å; H261-F363 AromaticContact ND1-CG 3.38Å; H261-F363 WeakPolarHBondContact ND1-CG 3.31Å; H261-F363 AromaticContact ND1-CZ 3.91Å; Y359-F363 HydrophobicContact CD1-CB 4.46Å; Y359-F363 HydrophobicContact CD2-CD2 4.07Å; Y359-F363 HydrophobicContact CE1-CB 3.99Å; Y359-F363 HydrophobicContact CE2-CB 4.42Å; Y359-F363 AromaticContact CE2-CD2 3.88Å; Y359-F363 HydrophobicContact CE2-CD2 3.88Å; Y359-F363 HydrophobicContact CE2-CG 4.42Å; Y359-F363 WeakPolarHBondContact O-CA 3.4Å; Y359-F363 PolarHBondContact O-N 3.2Å; F363-E365 PolarHBondContact O-N 3.02Å; F363-G366 PolarHBondContact O-N 3.44Å
364	P	91.9	Very high	95.1	Very high	66 Å²	66	37.1 Å²	37.1	43%	0.429	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.9	-179.3	22	-33	0	0	0	112.3	L360 G366	L360-P364 WeakPolarHBondContact O-CA 3.24Å; L360-P364 WeakPolarHBondContact O-CD 3.28Å; P364-G366 VanDerWaalsContact C-N 3.34Å
365	E	90.9	Very high	94.9	Very high	153 Å²	153	41.2 Å²	41.2	72%	0.715	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	25.7	175.8	-56.7	-56.9	136	0	0	112.4	F363	F363-E365 PolarHBondContact O-N 3.02Å
366	G	93.9	Very high	94.7	Very high	5 Å²	5	41.8 Å²	41.8	5%	0.052	19%	0.191	C	C	.	.	S	Bend	trans	-70.3	-143.6	-176.6	0	0	0	0	0	114	F363 P364 R369	F363-G366 PolarHBondContact O-N 3.44Å; P364-G366 VanDerWaalsContact C-N 3.34Å; G366-R369 PolarHBondContact O-NH1 2.99Å; G366-R369 PolarHBondContact O-NH2 2.97Å
367	F	95.8	Very high	94.3	Very high	34 Å²	34	47 Å²	47	15%	0.149	22%	0.215	C	C	.	.	S	Bend	trans	-96	-7.2	-178.6	-60.1	-61.8	0	0	0	114.7	H261 V264 E265 L268 F293 T294 Y359	H261-F367 AromaticContact CD2-CE2 3.63Å; H261-F367 AromaticContact CE1-CD2 3.83Å; H261-F367 AromaticContact CE1-CE2 3.5Å; H261-F367 AromaticContact ND1-CE2 3.97Å; H261-F367 AromaticContact NE2-CE2 3.28Å; H261-F367 VanDerWaalsContact NE2-CE2 3.28Å; H261-F367 WeakPolarHBondContact NE2-CE2 2.89Å; H261-F367 AromaticContact NE2-CZ 3.77Å; V264-F367 HydrophobicContact CB-CD2 3.92Å; V264-F367 HydrophobicContact CB-CE2 4.43Å; V264-F367 HydrophobicContact CG1-CB 3.78Å; V264-F367 HydrophobicContact CG1-CD2 3.49Å; V264-F367 VanDerWaalsContact CG1-CD2 3.49Å; V264-F367 HydrophobicContact CG1-CE2 4.26Å; V264-F367 HydrophobicContact CG1-CG 3.76Å; E265-F367 HydrophobicContact CB-CE2 3.77Å; E265-F367 HydrophobicContact CB-CZ 3.78Å; E265-F367 HydrophobicContact CG-CZ 4.06Å; L268-F367 HydrophobicContact CD1-CB 4.38Å; L268-F367 HydrophobicContact CD1-CD1 3.36Å; L268-F367 HydrophobicContact CD1-CD2 4.48Å; L268-F367 HydrophobicContact CD1-CE1 3.65Å; L268-F367 HydrophobicContact CD1-CG 3.84Å; L268-F367 HydrophobicContact CD1-CZ 4.32Å; F293-F367 HydrophobicContact CD1-CB 3.99Å; F293-F367 HydrophobicContact CE1-CB 4.4Å; T294-F367 PolarHBondContact N-O 3.23Å; T294-F367 VanDerWaalsContact N-O 3.15Å; T294-F367 PolarHBondContact OG1-O 2.79Å; T294-F367 VanDerWaalsContact OG1-O 3.12Å; Y359-F367 WeakPolarHBondContact OH-CD2 3.15Å; Y359-F367 PolarHBondContact OH-N 3.42Å
368	Y	96.7	Very high	94.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.3	172.8	-170.5	-91.9	0	0	0	109.5	R283 G291 F293 I356 L360 K371 N384	R283-Y368 PolarHBondContact NH1-OH 3.38Å; G291-Y368 VanDerWaalsContact C-CZ 3.49Å; G291-Y368 PolarHBondContact O-OH 3.24Å; G291-Y368 VanDerWaalsContact O-OH 3.07Å; F293-Y368 AromaticContact CD2-CD2 3.77Å; F293-Y368 HydrophobicContact CD2-CD2 3.77Å; F293-Y368 AromaticContact CE2-CD2 3.87Å; F293-Y368 HydrophobicContact CE2-CD2 3.87Å; F293-Y368 HydrophobicContact CG-CD2 4.23Å; F293-Y368 HydrophobicContact CZ-CD2 4.38Å; I356-Y368 HydrophobicContact CB-CE2 4.49Å; I356-Y368 HydrophobicContact CD1-CD2 4.37Å; I356-Y368 HydrophobicContact CD1-CE2 3.61Å; I356-Y368 HydrophobicContact CG1-CD2 4.23Å; I356-Y368 HydrophobicContact CG1-CE2 3.96Å; I356-Y368 HydrophobicContact CG2-CD1 4.28Å; I356-Y368 HydrophobicContact CG2-CD2 3.76Å; I356-Y368 HydrophobicContact CG2-CE1 4.22Å; I356-Y368 HydrophobicContact CG2-CE2 3.68Å; I356-Y368 HydrophobicContact CG2-CG 4.06Å; L360-Y368 HydrophobicContact CD1-CD1 4.32Å; L360-Y368 HydrophobicContact CD2-CD1 4.07Å; L360-Y368 HydrophobicContact CD2-CG 4.25Å; Y368-K371 PolarHBondContact OH-O 3.17Å; Y368-N384 PolarHBondContact O-ND2 3.48Å
369	R	95.8	Very high	93.8	Very high	79 Å²	79	49.3 Å²	49.3	30%	0.298	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.2	-177.7	-62	-71.4	171.7	-98.7	5.1	109	G291 Q292 G366 D386 I388	G291-R369 CarbonylContact C-O 3.42Å; G291-R369 WeakPolarHBondContact CA-O 3.22Å; Q292-R369 PolarHBondContact N-O 3.24Å; Q292-R369 PolarHBondContact O-N 2.85Å; G366-R369 PolarHBondContact O-NH1 2.99Å; G366-R369 PolarHBondContact O-NH2 2.97Å; R369-D386 HydrophobicContact CB-CB 4.48Å; R369-D386 WeakPolarHBondContact CD-OD2 3.4Å; R369-D386 IonicContact NE-OD2 2.84Å; R369-I388 HydrophobicContact CB-CG2 3.86Å
370	G	95.1	Very high	93.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.9	-153.3	177.9	0	0	0	0	0	113.7	I290 S383 N384 D386	I290-G370 CarbonylContact O-C 3.51Å; I290-G370 WeakPolarHBondContact O-CA 3.39Å; G370-S383 WeakPolarHBondContact O-CB 3.36Å; G370-N384 PolarHBondContact N-OD1 3.03Å; G370-N384 PolarHBondContact O-OD1 2.96Å; G370-D386 WeakPolarHBondContact CA-O 3.28Å
371	K	94.8	Very high	93.2	Very high	31 Å²	31	51.1 Å²	51.1	14%	0.135	23%	0.233	C	C	.	.			trans	-105.1	154.8	-177	-68.3	178.8	176.3	160.8	0	112.5	I290 G291 Y368 T380 D399	I290-K371 HydrophobicContact CD1-CB 4.34Å; I290-K371 PolarHBondContact O-N 3.03Å; G291-K371 WeakPolarHBondContact CA-O 3.16Å; Y368-K371 PolarHBondContact OH-O 3.17Å; K371-T380 HydrophobicContact CB-CG2 4.36Å; K371-T380 HydrophobicContact CD-CG2 4.39Å; K371-D399 HydrophobicContact CD-CB 4.45Å; K371-D399 VanDerWaalsContact CD-OD2 3.24Å; K371-D399 WeakPolarHBondContact CD-OD2 3.28Å; K371-D399 WeakPolarHBondContact CE-OD2 3.48Å; K371-D399 IonicContact NZ-OD1 2.99Å; K371-D399 PolarHBondContact NZ-OD1 3.18Å; K371-D399 IonicContact NZ-OD2 3.77Å; K371-D399 PolarHBondContact NZ-OD2 3.27Å
372	L	95.3	Very high	92.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.6	173.2	-177.1	58.1	0	0	0	109.7	T328 I356 H357 L360 T380 I381	T328-L372 HydrophobicContact CG2-CD1 3.84Å; T328-L372 HydrophobicContact CG2-CD2 4.14Å; T328-L372 HydrophobicContact CG2-CG 4.07Å; I356-L372 HydrophobicContact CB-CD1 3.89Å; I356-L372 HydrophobicContact CB-CD2 4.43Å; I356-L372 HydrophobicContact CD1-CD1 3.77Å; I356-L372 HydrophobicContact CG1-CD1 4.47Å; I356-L372 HydrophobicContact CG2-CD1 3.76Å; I356-L372 HydrophobicContact CG2-CD2 4.19Å; I356-L372 HydrophobicContact CG2-CG 4.48Å; H357-L372 HydrophobicContact CB-CD2 4.45Å; L360-L372 HydrophobicContact CD1-CB 4.41Å; L360-L372 HydrophobicContact CD1-CD2 4.36Å; L372-T380 CarbonylContact O-C 3.4Å; L372-T380 VanDerWaalsContact O-CA 3.28Å; L372-T380 WeakPolarHBondContact O-CA 3.38Å; L372-I381 HydrophobicContact CB-CG1 3.89Å; L372-I381 HydrophobicContact CD2-CD1 4.14Å; L372-I381 HydrophobicContact CD2-CG1 4.3Å; L372-I381 HydrophobicContact CG-CG1 4.35Å; L372-I381 PolarHBondContact N-O 3.28Å; L372-I381 PolarHBondContact O-N 2.77Å
373	F	95.8	Very high	91	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.8	175.7	-171.5	-87.6	0	0	0	111.8	Y286 E287 I290 F375 Y379 Y401 L412	Y286-F373 HydrophobicContact CD2-CD1 4.39Å; Y286-F373 HydrophobicContact CD2-CD2 4.23Å; Y286-F373 HydrophobicContact CD2-CE1 4.1Å; Y286-F373 AromaticContact CD2-CE2 3.94Å; Y286-F373 HydrophobicContact CD2-CE2 3.94Å; Y286-F373 HydrophobicContact CD2-CG 4.46Å; Y286-F373 AromaticContact CD2-CZ 3.86Å; Y286-F373 HydrophobicContact CD2-CZ 3.86Å; Y286-F373 HydrophobicContact CE2-CD1 4.1Å; Y286-F373 AromaticContact CE2-CE1 3.62Å; Y286-F373 HydrophobicContact CE2-CE1 3.62Å; Y286-F373 HydrophobicContact CE2-CE2 4.28Å; Y286-F373 AromaticContact CE2-CZ 3.73Å; Y286-F373 HydrophobicContact CE2-CZ 3.73Å; E287-F373 HydrophobicContact CB-CB 3.83Å; E287-F373 HydrophobicContact CB-CG 4.24Å; E287-F373 HydrophobicContact CG-CB 3.93Å; E287-F373 HydrophobicContact CG-CD1 3.68Å; E287-F373 HydrophobicContact CG-CE1 4.4Å; E287-F373 HydrophobicContact CG-CG 3.82Å; I290-F373 HydrophobicContact CD1-CB 4.1Å; I290-F373 HydrophobicContact CD1-CD2 4Å; F373-F375 HydrophobicContact CD1-CE1 4.33Å; F373-F375 HydrophobicContact CD1-CE2 4.34Å; F373-F375 HydrophobicContact CD1-CZ 4.26Å; F373-F375 AromaticContact CE1-CD1 3.85Å; F373-F375 HydrophobicContact CE1-CD1 3.85Å; F373-F375 AromaticContact CE1-CE1 3.91Å; F373-F375 HydrophobicContact CE1-CE1 3.91Å; F373-F375 HydrophobicContact CE1-CG 4.2Å; F373-F375 HydrophobicContact CE1-CZ 4.3Å; F373-Y379 CarbonylContact C-O 3.53Å; F373-Y379 VanDerWaalsContact CA-O 3.29Å; F373-Y379 WeakPolarHBondContact CA-O 2.88Å; F373-Y379 WeakPolarHBondContact CD2-O 3.31Å; F373-Y379 HydrophobicContact CE2-CD1 4.08Å; F373-Y379 WeakPolarHBondContact CG-O 3.11Å; F373-Y379 HydrophobicContact CZ-CD1 4.15Å; F373-Y401 HydrophobicContact CD2-CD2 4.2Å; F373-Y401 HydrophobicContact CD2-CE2 4.22Å; F373-Y401 HydrophobicContact CE2-CD2 4.09Å; F373-Y401 HydrophobicContact CE2-CE2 4.35Å; F373-L412 HydrophobicContact CE2-CD1 3.53Å; F373-L412 HydrophobicContact CZ-CD1 3.74Å
374	V	93.6	Very high	90.5	Very high	14 Å²	14	42.9 Å²	42.9	9%	0.085	21%	0.214	C	C	.	.			trans	-126.7	149.7	175.7	-63	0	0	0	0	111.1	D376 R378 Y379 I381	V374-D376 VanDerWaalsContact C-N 3.28Å; V374-D376 PolarHBondContact O-N 3.08Å; V374-R378 HydrophobicContact CG2-CB 4.15Å; V374-Y379 PolarHBondContact N-O 2.89Å; V374-I381 HydrophobicContact CG1-CD1 4.2Å; V374-I381 HydrophobicContact CG1-CG1 4.08Å; V374-I381 HydrophobicContact CG1-CG2 4.03Å; V374-I381 HydrophobicContact CG2-CG2 4.27Å
375	F	91	Very high	90.3	Very high	94 Å²	94	47.1 Å²	47.1	41%	0.412	23%	0.233	S	C	.	.	S	Bend	trans	-93.1	42.3	-168.7	-65.5	-90	0	0	0	113.7	K176 Y286 E287 F373	K176-F375 PolarHBondContact NZ-O 2.88Å; Y286-F375 HydrophobicContact CE2-CE1 4.38Å; E287-F375 HydrophobicContact CG-CZ 4.48Å; E287-F375 WeakPolarHBondContact OE1-CZ 3.19Å; E287-F375 WeakPolarHBondContact OE2-CZ 3Å; F373-F375 HydrophobicContact CD1-CE1 4.33Å; F373-F375 HydrophobicContact CD1-CE2 4.34Å; F373-F375 HydrophobicContact CD1-CZ 4.26Å; F373-F375 AromaticContact CE1-CD1 3.85Å; F373-F375 HydrophobicContact CE1-CD1 3.85Å; F373-F375 AromaticContact CE1-CE1 3.91Å; F373-F375 HydrophobicContact CE1-CE1 3.91Å; F373-F375 HydrophobicContact CE1-CG 4.2Å; F373-F375 HydrophobicContact CE1-CZ 4.3Å
376	D	92.2	Very high	90.4	Very high	12 Å²	12	43 Å²	43	6%	0.064	22%	0.216	C	C	.	.	S	Bend	trans	-142.3	-179.8	-177.9	62	62.7	0	0	0	110.6	C224 F225 V374 R378 Y379	C224-D376 HydrophobicContact CB-CB 4.4Å; C224-D376 WeakPolarHBondContact O-CB 3.3Å; F225-D376 HydrophobicContact CD1-CB 3.87Å; F225-D376 HydrophobicContact CE1-CB 3.45Å; F225-D376 VanDerWaalsContact CE1-CB 3.45Å; F225-D376 HydrophobicContact CZ-CB 3.84Å; V374-D376 VanDerWaalsContact C-N 3.28Å; V374-D376 PolarHBondContact O-N 3.08Å; D376-R378 PolarHBondContact O-N 3.1Å; D376-R378 WeakPolarHBondContact OD1-CB 3.25Å; D376-R378 WeakPolarHBondContact OD1-CG 3.43Å; D376-R378 IonicContact OD1-CZ 3.83Å; D376-R378 PolarHBondContact OD1-N 3.24Å; D376-R378 IonicContact OD1-NE 3.45Å; D376-R378 PolarHBondContact OD1-NE 3.32Å; D376-R378 IonicContact OD1-NH2 2.78Å; D376-R378 IonicContact OD2-CZ 3.84Å; D376-R378 IonicContact OD2-NE 3.32Å; D376-R378 PolarHBondContact OD2-NE 3.5Å; D376-R378 IonicContact OD2-NH2 2.92Å; D376-R378 PolarHBondContact OD2-NH2 2.92Å; D376-Y379 PolarHBondContact O-N 3.1Å
377	E	90.5	Very high	90.5	Very high	109 Å²	109	45.9 Å²	45.9	51%	0.509	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.5	-171.6	-67.2	-173.9	-171	0	0	114	C224 T226 Y379	C224-E377 WeakPolarHBondContact O-CB 3.43Å; C224-E377 WeakPolarHBondContact O-CG 3.38Å; C224-E377 PolarHBondContact O-N 3.19Å; T226-E377 PolarHBondContact OG1-OE1 3.24Å; E377-Y379 VanDerWaalsContact C-N 3.29Å; E377-Y379 PolarHBondContact O-N 3.23Å
378	R	91.5	Very high	90.5	Very high	57 Å²	57	47.3 Å²	47.3	22%	0.215	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.2	175	-58	171.2	-68.5	171.6	3.5	112.4	S218 D219 C224 V374 D376 T380	S218-R378 PolarHBondContact OG-NH1 3.48Å; D219-R378 PolarHBondContact O-NH1 3.41Å; C224-R378 VanDerWaalsContact SG-CD 3.58Å; V374-R378 HydrophobicContact CG2-CB 4.15Å; D376-R378 PolarHBondContact O-N 3.1Å; D376-R378 WeakPolarHBondContact OD1-CB 3.25Å; D376-R378 WeakPolarHBondContact OD1-CG 3.43Å; D376-R378 IonicContact OD1-CZ 3.83Å; D376-R378 PolarHBondContact OD1-N 3.24Å; D376-R378 IonicContact OD1-NE 3.45Å; D376-R378 PolarHBondContact OD1-NE 3.32Å; D376-R378 IonicContact OD1-NH2 2.78Å; D376-R378 IonicContact OD2-CZ 3.84Å; D376-R378 IonicContact OD2-NE 3.32Å; D376-R378 PolarHBondContact OD2-NE 3.5Å; D376-R378 IonicContact OD2-NH2 2.92Å; D376-R378 PolarHBondContact OD2-NH2 2.92Å; R378-T380 PolarHBondContact O-N 3.34Å
379	Y	89.3	Confident	90.4	Very high	56 Å²	56	47.5 Å²	47.5	22%	0.22	24%	0.242	C	C	.	.			trans	56.3	-33	-169.1	-65.9	-61.4	0	0	0	116.6	F373 V374 D376 E377 L403 L412	F373-Y379 CarbonylContact C-O 3.53Å; F373-Y379 VanDerWaalsContact CA-O 3.29Å; F373-Y379 WeakPolarHBondContact CA-O 2.88Å; F373-Y379 WeakPolarHBondContact CD2-O 3.31Å; F373-Y379 HydrophobicContact CE2-CD1 4.08Å; F373-Y379 WeakPolarHBondContact CG-O 3.11Å; F373-Y379 HydrophobicContact CZ-CD1 4.15Å; V374-Y379 PolarHBondContact N-O 2.89Å; D376-Y379 PolarHBondContact O-N 3.1Å; E377-Y379 VanDerWaalsContact C-N 3.29Å; E377-Y379 PolarHBondContact O-N 3.23Å; Y379-L403 WeakPolarHBondContact OH-CG 3.35Å; Y379-L412 HydrophobicContact CD1-CD1 4.42Å; Y379-L412 HydrophobicContact CD1-CD2 3.96Å; Y379-L412 HydrophobicContact CE1-CD2 3.4Å; Y379-L412 VanDerWaalsContact CE1-CD2 3.4Å
380	T	90.3	Very high	90.5	Very high	27 Å²	27	47.7 Å²	47.7	17%	0.166	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.4	-173.2	69.2	0	0	0	0	110.6	I290 K371 L372 R378	I290-T380 HydrophobicContact CD1-CG2 3.24Å; K371-T380 HydrophobicContact CB-CG2 4.36Å; K371-T380 HydrophobicContact CD-CG2 4.39Å; L372-T380 CarbonylContact O-C 3.4Å; L372-T380 VanDerWaalsContact O-CA 3.28Å; L372-T380 WeakPolarHBondContact O-CA 3.38Å; R378-T380 PolarHBondContact O-N 3.34Å
381	I	88	Confident	90.6	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.179	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.2	160.6	63.6	178.7	0	0	0	108.8	L372 V374	L372-I381 HydrophobicContact CB-CG1 3.89Å; L372-I381 HydrophobicContact CD2-CD1 4.14Å; L372-I381 HydrophobicContact CD2-CG1 4.3Å; L372-I381 HydrophobicContact CG-CG1 4.35Å; L372-I381 PolarHBondContact N-O 3.28Å; L372-I381 PolarHBondContact O-N 2.77Å; V374-I381 HydrophobicContact CG1-CD1 4.2Å; V374-I381 HydrophobicContact CG1-CG1 4.08Å; V374-I381 HydrophobicContact CG1-CG2 4.03Å; V374-I381 HydrophobicContact CG2-CG2 4.27Å
382	S	72.2	Confident	90.6	Very high	92 Å²	92	52.1 Å²	52.1	64%	0.643	27%	0.265	S	S	*	.			trans	-71	133.8	-175.4	-160.3	0	0	0	0	110.2
383	S	71.8	Confident	90.6	Very high	18 Å²	18	54.9 Å²	54.9	13%	0.126	28%	0.276	C	S	.	.			trans	-111.6	-47.6	177.1	166.1	0	0	0	0	110.8	L360 G370	L360-S383 VanDerWaalsContact CD1-CB 3.45Å; L360-S383 WeakPolarHBondContact CD1-OG 3.2Å; L360-S383 WeakPolarHBondContact CD2-OG 3.5Å; G370-S383 WeakPolarHBondContact O-CB 3.36Å
384	N	84.3	Confident	90.6	Very high	10 Å²	10	57 Å²	57	5%	0.053	29%	0.291	C	S	.	.			trans	-151.7	-176.8	172.2	52	51	0	0	0	109	Y368 G370 D386	Y368-N384 PolarHBondContact O-ND2 3.48Å; G370-N384 PolarHBondContact N-OD1 3.03Å; G370-N384 PolarHBondContact O-OD1 2.96Å; N384-D386 VanDerWaalsContact C-N 3.31Å; N384-D386 WeakPolarHBondContact OD1-CB 3.4Å; N384-D386 PolarHBondContact OD1-N 2.87Å; N384-D386 PolarHBondContact OD1-OD2 3.23Å
385	N	88.6	Confident	90.7	Very high	156 Å²	156	60.5 Å²	60.5	83%	0.834	32%	0.316	S	S	*	.	S	Bend	trans	-86.1	3.1	-176.8	-66.5	-41.5	0	0	0	114
386	D	92.9	Very high	91	Very high	66 Å²	66	61.1 Å²	61.1	35%	0.353	32%	0.323	S	S	.	.			trans	-72.3	135.3	-178.3	-62.8	-42.4	0	0	0	110.8	R369 G370 N384 I388	R369-D386 HydrophobicContact CB-CB 4.48Å; R369-D386 WeakPolarHBondContact CD-OD2 3.4Å; R369-D386 IonicContact NE-OD2 2.84Å; G370-D386 WeakPolarHBondContact CA-O 3.28Å; N384-D386 VanDerWaalsContact C-N 3.31Å; N384-D386 WeakPolarHBondContact OD1-CB 3.4Å; N384-D386 PolarHBondContact OD1-N 2.87Å; N384-D386 PolarHBondContact OD1-OD2 3.23Å; D386-I388 HydrophobicContact CB-CG2 4.3Å
387	V	95.3	Very high	91.3	Very high	66 Å²	66	64.6 Å²	64.6	40%	0.4	35%	0.346	S	S	.	.			trans	-113	98.6	172.9	-178.4	0	0	0	0	107.3	P397 D399	V387-P397 HydrophobicContact CB-CB 4.15Å; V387-P397 HydrophobicContact CG1-CB 3.65Å; V387-D399 HydrophobicContact CG1-CB 4.1Å
388	I	94.9	Very high	91.5	Very high	64 Å²	64	61.4 Å²	61.4	33%	0.328	33%	0.329	S	S	.	.			trans	-95.7	2.3	-176.1	69.7	162.5	0	0	0	113.6	Q292 R369 D386	Q292-I388 HydrophobicContact CG-CD1 3.82Å; R369-I388 HydrophobicContact CB-CG2 3.86Å; D386-I388 HydrophobicContact CB-CG2 4.3Å
389	A	95.9	Very high	91.7	Very high	3 Å²	3	59.2 Å²	59.2	3%	0.025	32%	0.322	C	S	.	.			trans	-116.9	156	-177.5	0	0	0	0	0	110.5	K289 I290 P397 W398 D399 L414	K289-A389 VanDerWaalsContact O-CB 3.29Å; K289-A389 WeakPolarHBondContact O-CB 3.44Å; I290-A389 HydrophobicContact CG2-CB 4.16Å; A389-P397 WeakPolarHBondContact O-CA 3.41Å; A389-W398 CarbonylContact C-O 3.53Å; A389-W398 VanDerWaalsContact C-O 3.31Å; A389-W398 WeakPolarHBondContact CB-O 3.14Å; A389-W398 CarbonylContact O-C 3.53Å; A389-W398 PolarHBondContact O-N 3.12Å; A389-D399 HydrophobicContact CB-CB 4.33Å; A389-L414 HydrophobicContact CB-CD1 3.76Å
390	D	96.9	Very high	91.9	Very high	83 Å²	83	61 Å²	61	44%	0.444	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-117.2	148.3	-179.8	-60.2	-50.6	0	0	0	112.2	R392	D390-R392 PolarHBondContact O-N 2.99Å
391	C	96.9	Very high	92.1	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.007	33%	0.327	C	S	.	.			trans	-57.2	125.2	166.2	175.4	0	0	0	0	109.1	Y393 S395 L396 W398 C416	C391-Y393 PolarHBondContact O-N 3.33Å; C391-S395 VanDerWaalsContact O-CA 3.31Å; C391-S395 WeakPolarHBondContact O-CA 3.44Å; C391-S395 PolarHBondContact O-N 3.21Å; C391-L396 VanDerWaalsContact CB-O 3.32Å; C391-L396 WeakPolarHBondContact CB-O 3.44Å; C391-L396 PolarHBondContact N-O 2.62Å; C391-W398 HydrophobicContact CB-CB 3.87Å; C391-C416 HydrophobicContact CB-CB 4.12Å; C391-C416 PolarHBondContact SG-N 2.69Å; C391-C416 VanDerWaalsContact SG-N 3.38Å; C391-C416 VanDerWaalsContact SG-SG 3.7Å
392	R	94.6	Very high	92.4	Very high	123 Å²	123	62.8 Å²	62.8	46%	0.464	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27	-178.1	-174.1	173.2	-158.5	124.6	1.4	114	D390 L414 C427	D390-R392 PolarHBondContact O-N 2.99Å; R392-L414 WeakPolarHBondContact CB-O 3.45Å; R392-L414 PolarHBondContact N-O 2.9Å; R392-C427 PolarHBondContact NE-O 3.27Å; R392-C427 PolarHBondContact NH1-O 2.8Å; R392-C427 PolarHBondContact NH2-O 3.34Å; R392-C427 VanDerWaalsContact NH2-O 3.11Å
393	Y	95.3	Very high	93.3	Very high	60 Å²	60	62.7 Å²	62.7	24%	0.235	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-23.8	-167.2	-67.9	-77.1	0	0	0	115.5	C391 V413 S415 C419 R424 T425 A426 Q432	C391-Y393 PolarHBondContact O-N 3.33Å; Y393-V413 HydrophobicContact CE2-CG1 4.35Å; Y393-S415 WeakPolarHBondContact CD2-OG 3.43Å; Y393-C419 HydrophobicContact CD2-CB 4.28Å; Y393-C419 HydrophobicContact CG-CB 4.49Å; Y393-R424 HydrophobicContact CD1-CB 3.83Å; Y393-R424 HydrophobicContact CD1-CG 4.05Å; Y393-R424 HydrophobicContact CD2-CB 3.74Å; Y393-R424 HydrophobicContact CE1-CB 3.69Å; Y393-R424 HydrophobicContact CE1-CG 4.12Å; Y393-R424 HydrophobicContact CE2-CB 3.62Å; Y393-R424 WeakPolarHBondContact CE2-O 3.28Å; Y393-R424 HydrophobicContact CG-CB 3.79Å; Y393-R424 HydrophobicContact CG-CG 4.3Å; Y393-R424 PolarHBondContact O-NH1 3.08Å; Y393-R424 VanDerWaalsContact OH-C 3.27Å; Y393-T425 PolarHBondContact OH-N 3.49Å; Y393-A426 PolarHBondContact OH-N 3.18Å; Y393-A426 PolarHBondContact OH-O 2.87Å; Y393-Q432 PolarHBondContact OH-OE1 3.25Å
394	C	96.7	Very high	94.3	Very high	50 Å²	50	62.2 Å²	62.2	34%	0.338	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-0.3	-178.6	70.8	0	0	0	0	113.2	L396	C394-L396 PolarHBondContact O-N 3.31Å
395	S	96.8	Very high	94.5	Very high	89 Å²	89	64.6 Å²	64.6	62%	0.622	34%	0.344	S	S	*	.			trans	57.1	17.9	179.1	-48.9	0	0	0	0	115.1	C391	C391-S395 VanDerWaalsContact O-CA 3.31Å; C391-S395 WeakPolarHBondContact O-CA 3.44Å; C391-S395 PolarHBondContact O-N 3.21Å
396	L	97.1	Very high	94.4	Very high	106 Å²	106	57.3 Å²	57.3	56%	0.555	31%	0.305	S	S	*	.			trans	-76.2	146.5	168.8	-69.5	176.2	0	0	0	109.3	C391 C394 W398	C391-L396 VanDerWaalsContact CB-O 3.32Å; C391-L396 WeakPolarHBondContact CB-O 3.44Å; C391-L396 PolarHBondContact N-O 2.62Å; C394-L396 PolarHBondContact O-N 3.31Å; L396-W398 PolarHBondContact O-N 2.89Å
397	P	97.3	Very high	93.8	Very high	85 Å²	85	60.4 Å²	60.4	55%	0.552	32%	0.317	S	S	*	.	B	Isolated β-bridge	trans	-50.7	123.8	177.5	-28.5	35.2	0	0	0	111.8	V387 A389	V387-P397 HydrophobicContact CB-CB 4.15Å; V387-P397 HydrophobicContact CG1-CB 3.65Å; A389-P397 WeakPolarHBondContact O-CA 3.41Å
398	W	96.1	Very high	93.1	Very high	42 Å²	42	59.1 Å²	59.1	16%	0.159	31%	0.306	C	S	.	.			trans	-162	127.8	-179.6	-169.6	-97.2	0	0	0	111.7	A389 C391 L396 Q400 S415 C416 P417	A389-W398 CarbonylContact C-O 3.53Å; A389-W398 VanDerWaalsContact C-O 3.31Å; A389-W398 WeakPolarHBondContact CB-O 3.14Å; A389-W398 CarbonylContact O-C 3.53Å; A389-W398 PolarHBondContact O-N 3.12Å; C391-W398 HydrophobicContact CB-CB 3.87Å; L396-W398 PolarHBondContact O-N 2.89Å; W398-Q400 HydrophobicContact CH2-CB 4.47Å; W398-Q400 HydrophobicContact CH2-CG 4.4Å; W398-Q400 VanDerWaalsContact CH2-OE1 3.28Å; W398-Q400 HydrophobicContact CZ2-CB 3.64Å; W398-Q400 HydrophobicContact CZ2-CG 4.04Å; W398-Q400 PolarHBondContact NE1-O 2.92Å; W398-S415 PolarHBondContact NE1-O 3.16Å; W398-C416 HydrophobicContact CB-CB 4.42Å; W398-C416 HydrophobicContact CD2-CB 3.76Å; W398-C416 HydrophobicContact CE3-CB 3.83Å; W398-C416 HydrophobicContact CG-CB 4.03Å; W398-C416 HydrophobicContact CZ3-CB 4.47Å; W398-P417 HydrophobicContact CH2-CG 3.64Å; W398-P417 HydrophobicContact CZ2-CG 4.24Å; W398-P417 VanDerWaalsContact CZ3-CD 3.46Å; W398-P417 HydrophobicContact CZ3-CG 4.08Å
399	D	94.6	Very high	92.7	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.059	29%	0.293	C	S	.	.			trans	-128.7	6.6	-173	61.6	1.7	0	0	0	113.8	I290 K371 V387 A389	I290-D399 HydrophobicContact CG2-CB 4.37Å; K371-D399 HydrophobicContact CD-CB 4.45Å; K371-D399 VanDerWaalsContact CD-OD2 3.24Å; K371-D399 WeakPolarHBondContact CD-OD2 3.28Å; K371-D399 WeakPolarHBondContact CE-OD2 3.48Å; K371-D399 IonicContact NZ-OD1 2.99Å; K371-D399 PolarHBondContact NZ-OD1 3.18Å; K371-D399 IonicContact NZ-OD2 3.77Å; K371-D399 PolarHBondContact NZ-OD2 3.27Å; V387-D399 HydrophobicContact CG1-CB 4.1Å; A389-D399 HydrophobicContact CB-CB 4.33Å
400	Q	93.8	Very high	92.3	Very high	94 Å²	94	60.7 Å²	60.7	44%	0.439	32%	0.322	S	S	.	.			trans	-91	120.4	176	-61.5	-176.9	-15.3	0	0	110.7	W398	W398-Q400 HydrophobicContact CH2-CB 4.47Å; W398-Q400 HydrophobicContact CH2-CG 4.4Å; W398-Q400 VanDerWaalsContact CH2-OE1 3.28Å; W398-Q400 HydrophobicContact CZ2-CB 3.64Å; W398-Q400 HydrophobicContact CZ2-CG 4.04Å; W398-Q400 PolarHBondContact NE1-O 2.92Å
401	Y	95	Very high	91.9	Very high	15 Å²	15	57.6 Å²	57.6	6%	0.059	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	142	173.4	-77.3	-58.4	0	0	0	111.7	Y286 I290 F373 L412 L414	Y286-Y401 WeakPolarHBondContact CA-OH 3.35Å; Y286-Y401 VanDerWaalsContact O-CE2 3.27Å; Y286-Y401 WeakPolarHBondContact O-CE2 3.35Å; Y286-Y401 PolarHBondContact O-OH 2.76Å; I290-Y401 HydrophobicContact CB-CE2 4.29Å; I290-Y401 HydrophobicContact CD1-CD2 4.1Å; I290-Y401 HydrophobicContact CD1-CE2 3.84Å; I290-Y401 HydrophobicContact CG1-CE2 3.99Å; I290-Y401 HydrophobicContact CG2-CD2 4.1Å; I290-Y401 HydrophobicContact CG2-CE2 3.37Å; F373-Y401 HydrophobicContact CD2-CD2 4.2Å; F373-Y401 HydrophobicContact CD2-CE2 4.22Å; F373-Y401 HydrophobicContact CE2-CD2 4.09Å; F373-Y401 HydrophobicContact CE2-CE2 4.35Å; Y401-L412 HydrophobicContact CD1-CB 3.37Å; Y401-L412 HydrophobicContact CD1-CG 4.49Å; Y401-L412 HydrophobicContact CD2-CB 4.48Å; Y401-L412 HydrophobicContact CD2-CD1 4.24Å; Y401-L412 HydrophobicContact CE1-CB 3.72Å; Y401-L412 HydrophobicContact CG-CB 3.79Å; Y401-L412 HydrophobicContact CG-CD1 4.24Å; Y401-L412 HydrophobicContact CG-CG 4.5Å; Y401-L414 HydrophobicContact CD1-CD2 3.52Å; Y401-L414 HydrophobicContact CD1-CG 3.78Å; Y401-L414 HydrophobicContact CD2-CD2 4.41Å; Y401-L414 HydrophobicContact CE1-CD1 4.12Å; Y401-L414 HydrophobicContact CE1-CD2 3.59Å; Y401-L414 HydrophobicContact CE1-CG 3.46Å; Y401-L414 VanDerWaalsContact CE1-CG 3.46Å; Y401-L414 HydrophobicContact CE2-CD2 4.42Å; Y401-L414 HydrophobicContact CG-CD2 3.98Å
402	E	92.9	Very high	91.7	Very high	84 Å²	84	59 Å²	59	39%	0.393	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	164.9	154	-39	170.4	-153.9	0	0	108.7	V413 R420	E402-V413 PolarHBondContact N-O 3.05Å; E402-V413 VanDerWaalsContact N-O 3.16Å; E402-V413 PolarHBondContact O-N 3.33Å; E402-R420 VanDerWaalsContact CB-NH2 3.31Å; E402-R420 VanDerWaalsContact CD-NH1 3.31Å; E402-R420 WeakPolarHBondContact OE1-CD 3.34Å; E402-R420 IonicContact OE1-CZ 3.31Å; E402-R420 IonicContact OE1-NE 3.1Å; E402-R420 PolarHBondContact OE1-NE 2.93Å; E402-R420 IonicContact OE1-NH1 2.69Å; E402-R420 IonicContact OE2-CZ 3.63Å; E402-R420 IonicContact OE2-NE 2.73Å; E402-R420 PolarHBondContact OE2-NE 2.98Å; E402-R420 IonicContact OE2-NH1 3.64Å; E402-R420 PolarHBondContact OE2-NH1 3.36Å; E402-R420 IonicContact OE2-NH2 3.62Å
403	L	91.6	Very high	91.7	Very high	90 Å²	90	53.2 Å²	53.2	47%	0.471	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	151.4	177.6	-68.7	169	0	0	0	111.7	Y379 L412	Y379-L403 WeakPolarHBondContact OH-CG 3.35Å; L403-L412 HydrophobicContact CD2-CD2 4.01Å
404	C	91.9	Very high	91.8	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.054	28%	0.28	C	S	.	.			trans	-57.2	136.5	163.9	-177.3	0	0	0	0	109.5	T406 C409 Q411 V413 C427	C404-T406 PolarHBondContact O-N 3.37Å; C404-C409 HydrophobicContact CB-CB 3.99Å; C404-C409 VanDerWaalsContact SG-SG 3.62Å; C404-Q411 HydrophobicContact CB-CB 4.42Å; C404-Q411 PolarHBondContact N-O 3.33Å; C404-V413 HydrophobicContact CB-CG2 3.93Å; C404-C427 HydrophobicContact CB-CB 4.35Å; C404-C427 PolarHBondContact SG-N 3.36Å; C404-C427 VanDerWaalsContact SG-SG 3.6Å
405	S	88.8	Confident	91.7	Very high	61 Å²	61	48.2 Å²	48.2	43%	0.427	26%	0.264	S	S	.	.	S	Bend	trans	-65.7	-21.7	-178.8	47.4	0	0	0	0	114.7	T425	S405-T425 VanDerWaalsContact CB-OG1 3.24Å; S405-T425 WeakPolarHBondContact CB-OG1 3.25Å; S405-T425 PolarHBondContact N-O 3.2Å; S405-T425 PolarHBondContact OG-OG1 3.25Å
406	T	87.8	Confident	91.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	24%	0.237	C	C	.	.	S	Bend	trans	-73.7	129	178.5	-42.2	0	0	0	0	112	C404 F408 C409 C431 K434	C404-T406 PolarHBondContact O-N 3.37Å; T406-F408 PolarHBondContact O-N 2.9Å; T406-F408 VanDerWaalsContact O-N 3.13Å; T406-C409 PolarHBondContact O-N 3.4Å; T406-C431 VanDerWaalsContact OG1-C 3.3Å; T406-C431 WeakPolarHBondContact OG1-CA 3.19Å; T406-C431 WeakPolarHBondContact OG1-CB 2.95Å; T406-C431 PolarHBondContact OG1-O 3.3Å; T406-K434 HydrophobicContact CG2-CB 3.81Å; T406-K434 HydrophobicContact CG2-CD 4.49Å
407	Q	80.5	Confident	91.7	Very high	131 Å²	131	42.6 Å²	42.6	61%	0.612	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.1	-175.6	-167.3	177.7	5.5	0	0	114.4	C409	Q407-C409 VanDerWaalsContact C-N 3.33Å
408	F	80.6	Confident	91.7	Very high	40 Å²	40	41.7 Å²	41.7	18%	0.175	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	16.4	179.7	-48.8	-43.5	0	0	0	113.3	T406 P448 E450 E451	T406-F408 PolarHBondContact O-N 2.9Å; T406-F408 VanDerWaalsContact O-N 3.13Å; F408-P448 HydrophobicContact CB-CB 4.43Å; F408-P448 HydrophobicContact CD1-CB 3.2Å; F408-P448 HydrophobicContact CD1-CG 3.23Å; F408-P448 HydrophobicContact CE1-CB 3.56Å; F408-P448 HydrophobicContact CE1-CG 3.23Å; F408-P448 HydrophobicContact CG-CB 4Å; F408-P448 HydrophobicContact CG-CG 4.42Å; F408-P448 HydrophobicContact CZ-CG 4.44Å; F408-E450 VanDerWaalsContact O-CA 3.31Å; F408-E450 WeakPolarHBondContact O-CA 3.41Å; F408-E451 PolarHBondContact O-N 3.32Å
409	C	86.3	Confident	91.7	Very high	7 Å²	7	39.8 Å²	39.8	5%	0.047	22%	0.221	C	C	.	.			trans	-129.6	125.1	-177.8	-173.6	0	0	0	0	110.9	C404 T406 Q407 Q411 C427	C404-C409 HydrophobicContact CB-CB 3.99Å; C404-C409 VanDerWaalsContact SG-SG 3.62Å; T406-C409 PolarHBondContact O-N 3.4Å; Q407-C409 VanDerWaalsContact C-N 3.33Å; C409-Q411 VanDerWaalsContact SG-CG 3.51Å; C409-C427 PolarHBondContact SG-SG 2.87Å
410	C	86.8	Confident	91.7	Very high	93 Å²	93	41.1 Å²	41.1	63%	0.628	23%	0.225	S	C	*	.			trans	-107.1	21	178.3	-55.2	0	0	0	0	112.1
411	Q	89.4	Confident	91.8	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.079	24%	0.242	C	C	.	.			trans	-72.2	140.5	178.1	-66.1	-61.7	-49.4	0	0	111.1	R302 C404 C409 C427 E450 T455	R302-Q411 VanDerWaalsContact CZ-NE2 3.31Å; C404-Q411 HydrophobicContact CB-CB 4.42Å; C404-Q411 PolarHBondContact N-O 3.33Å; C409-Q411 VanDerWaalsContact SG-CG 3.51Å; Q411-C427 HydrophobicContact CB-CB 3.6Å; Q411-C427 HydrophobicContact CG-CB 4.09Å; Q411-E450 PolarHBondContact NE2-OE1 3.16Å; Q411-T455 PolarHBondContact NE2-OG1 3.22Å; Q411-T455 VanDerWaalsContact NE2-OG1 3.1Å
412	L	92.6	Very high	91.8	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.168	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.9	170.4	-59.1	174.6	0	0	0	110	Y286 F373 Y379 Y401 L403	Y286-L412 HydrophobicContact CD2-CD1 4.03Å; Y286-L412 HydrophobicContact CG-CD1 4.35Å; F373-L412 HydrophobicContact CE2-CD1 3.53Å; F373-L412 HydrophobicContact CZ-CD1 3.74Å; Y379-L412 HydrophobicContact CD1-CD1 4.42Å; Y379-L412 HydrophobicContact CD1-CD2 3.96Å; Y379-L412 HydrophobicContact CE1-CD2 3.4Å; Y379-L412 VanDerWaalsContact CE1-CD2 3.4Å; Y401-L412 HydrophobicContact CD1-CB 3.37Å; Y401-L412 HydrophobicContact CD1-CG 4.49Å; Y401-L412 HydrophobicContact CD2-CB 4.48Å; Y401-L412 HydrophobicContact CD2-CD1 4.24Å; Y401-L412 HydrophobicContact CE1-CB 3.72Å; Y401-L412 HydrophobicContact CG-CB 3.79Å; Y401-L412 HydrophobicContact CG-CD1 4.24Å; Y401-L412 HydrophobicContact CG-CG 4.5Å; L403-L412 HydrophobicContact CD2-CD2 4.01Å
413	V	94.4	Very high	91.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.3	-172.7	-172.8	0	0	0	0	110.3	Y393 E402 C404 S415 R420 C427	Y393-V413 HydrophobicContact CE2-CG1 4.35Å; E402-V413 PolarHBondContact N-O 3.05Å; E402-V413 VanDerWaalsContact N-O 3.16Å; E402-V413 PolarHBondContact O-N 3.33Å; C404-V413 HydrophobicContact CB-CG2 3.93Å; V413-S415 PolarHBondContact O-N 3.36Å; V413-R420 PolarHBondContact O-NH2 3.01Å; V413-C427 HydrophobicContact CG2-CB 3.78Å
414	L	95.9	Very high	91.8	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	95.2	166.3	-63.5	173.8	0	0	0	108.5	K289 I290 A389 R392 Y401	K289-L414 HydrophobicContact CD-CD1 4.04Å; K289-L414 HydrophobicContact CG-CD1 4.23Å; I290-L414 HydrophobicContact CG2-CD1 4.28Å; I290-L414 HydrophobicContact CG2-CD2 4Å; A389-L414 HydrophobicContact CB-CD1 3.76Å; R392-L414 WeakPolarHBondContact CB-O 3.45Å; R392-L414 PolarHBondContact N-O 2.9Å; Y401-L414 HydrophobicContact CD1-CD2 3.52Å; Y401-L414 HydrophobicContact CD1-CG 3.78Å; Y401-L414 HydrophobicContact CD2-CD2 4.41Å; Y401-L414 HydrophobicContact CE1-CD1 4.12Å; Y401-L414 HydrophobicContact CE1-CD2 3.59Å; Y401-L414 HydrophobicContact CE1-CG 3.46Å; Y401-L414 VanDerWaalsContact CE1-CG 3.46Å; Y401-L414 HydrophobicContact CE2-CD2 4.42Å; Y401-L414 HydrophobicContact CG-CD2 3.98Å
415	S	96.1	Very high	91.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.			trans	-132.1	118	176.2	-173.3	0	0	0	0	109.6	Y393 W398 V413 C419 R420 R424	Y393-S415 WeakPolarHBondContact CD2-OG 3.43Å; W398-S415 PolarHBondContact NE1-O 3.16Å; V413-S415 PolarHBondContact O-N 3.36Å; S415-C419 WeakPolarHBondContact OG-CB 3.43Å; S415-R420 PolarHBondContact O-NE 3.28Å; S415-R420 VanDerWaalsContact O-NE 3.1Å; S415-R420 WeakPolarHBondContact OG-CG 3.48Å; S415-R424 WeakPolarHBondContact CB-O 3.48Å; S415-R424 PolarHBondContact OG-O 2.77Å
416	C	96.6	Very high	92.1	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.061	25%	0.249	C	C	.	.			trans	-68.7	161.3	-178.1	75.3	0	0	0	0	111.8	C391 W398 S418 C419 R420	C391-C416 HydrophobicContact CB-CB 4.12Å; C391-C416 PolarHBondContact SG-N 2.69Å; C391-C416 VanDerWaalsContact SG-N 3.38Å; C391-C416 VanDerWaalsContact SG-SG 3.7Å; W398-C416 HydrophobicContact CB-CB 4.42Å; W398-C416 HydrophobicContact CD2-CB 3.76Å; W398-C416 HydrophobicContact CE3-CB 3.83Å; W398-C416 HydrophobicContact CG-CB 4.03Å; W398-C416 HydrophobicContact CZ3-CB 4.47Å; C416-S418 PolarHBondContact O-N 3.37Å; C416-S418 VanDerWaalsContact O-N 3.13Å; C416-C419 PolarHBondContact O-N 3.1Å; C416-R420 PolarHBondContact O-N 3.28Å
417	P	96.7	Very high	92.2	Very high	67 Å²	67	47.8 Å²	47.8	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-58.6	-34.9	-174.9	-27	36.1	0	0	0	113	W398 K421	W398-P417 HydrophobicContact CH2-CG 3.64Å; W398-P417 HydrophobicContact CZ2-CG 4.24Å; W398-P417 VanDerWaalsContact CZ3-CD 3.46Å; W398-P417 HydrophobicContact CZ3-CG 4.08Å; P417-K421 WeakPolarHBondContact O-CB 3.37Å; P417-K421 VanDerWaalsContact O-CG 3.25Å; P417-K421 WeakPolarHBondContact O-CG 3.48Å; P417-K421 PolarHBondContact O-N 3.24Å
418	S	97.1	Very high	92.6	Very high	66 Å²	66	42 Å²	42	46%	0.462	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-39.4	176	-178.9	0	0	0	0	112.5	C416 K422	C416-S418 PolarHBondContact O-N 3.37Å; C416-S418 VanDerWaalsContact O-N 3.13Å; S418-K422 WeakPolarHBondContact O-CG 3.22Å
419	C	96.4	Very high	93	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-73.4	-42.2	176.7	-74.7	0	0	0	0	111.5	Y393 S415 C416 K421 K422 R424	Y393-C419 HydrophobicContact CD2-CB 4.28Å; Y393-C419 HydrophobicContact CG-CB 4.49Å; S415-C419 WeakPolarHBondContact OG-CB 3.43Å; C416-C419 PolarHBondContact O-N 3.1Å; C419-K421 VanDerWaalsContact C-N 3.34Å; C419-K421 PolarHBondContact O-N 2.86Å; C419-K422 CarbonylContact O-C 3.52Å; C419-K422 WeakPolarHBondContact O-CA 3.36Å; C419-K422 WeakPolarHBondContact O-CB 3.42Å; C419-K422 PolarHBondContact O-N 3.38Å; C419-R424 HydrophobicContact CB-CB 4.09Å; C419-R424 VanDerWaalsContact O-CB 3.27Å; C419-R424 WeakPolarHBondContact O-CB 3.45Å; C419-R424 PolarHBondContact O-N 2.68Å; C419-R424 VanDerWaalsContact O-N 3.1Å
420	R	94.8	Very high	93.1	Very high	39 Å²	39	45.5 Å²	45.5	15%	0.147	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-41.5	176	-69.4	-169.9	172.1	-94.6	-10.9	112.6	E402 V413 S415 C416 K422 G423 T425	E402-R420 VanDerWaalsContact CB-NH2 3.31Å; E402-R420 VanDerWaalsContact CD-NH1 3.31Å; E402-R420 WeakPolarHBondContact OE1-CD 3.34Å; E402-R420 IonicContact OE1-CZ 3.31Å; E402-R420 IonicContact OE1-NE 3.1Å; E402-R420 PolarHBondContact OE1-NE 2.93Å; E402-R420 IonicContact OE1-NH1 2.69Å; E402-R420 IonicContact OE2-CZ 3.63Å; E402-R420 IonicContact OE2-NE 2.73Å; E402-R420 PolarHBondContact OE2-NE 2.98Å; E402-R420 IonicContact OE2-NH1 3.64Å; E402-R420 PolarHBondContact OE2-NH1 3.36Å; E402-R420 IonicContact OE2-NH2 3.62Å; V413-R420 PolarHBondContact O-NH2 3.01Å; S415-R420 PolarHBondContact O-NE 3.28Å; S415-R420 VanDerWaalsContact O-NE 3.1Å; S415-R420 WeakPolarHBondContact OG-CG 3.48Å; C416-R420 PolarHBondContact O-N 3.28Å; R420-K422 PolarHBondContact O-N 3.21Å; R420-K422 VanDerWaalsContact O-N 3.13Å; R420-G423 PolarHBondContact O-N 2.81Å; R420-T425 HydrophobicContact CB-CG2 4.4Å; R420-T425 HydrophobicContact CG-CG2 4.3Å
421	K	95.4	Very high	93.2	Very high	186 Å²	186	41.1 Å²	41.1	81%	0.809	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.8	172.5	-75.9	175.7	-177.7	-176.4	0	113.8	P417 C419 G423	P417-K421 WeakPolarHBondContact O-CB 3.37Å; P417-K421 VanDerWaalsContact O-CG 3.25Å; P417-K421 WeakPolarHBondContact O-CG 3.48Å; P417-K421 PolarHBondContact O-N 3.24Å; C419-K421 VanDerWaalsContact C-N 3.34Å; C419-K421 PolarHBondContact O-N 2.86Å; K421-G423 VanDerWaalsContact C-N 3.33Å
422	K	94.9	Very high	93.1	Very high	141 Å²	141	42.1 Å²	42.1	61%	0.613	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	15.5	175	-62.7	173.7	-175.5	-179.6	0	112.8	S418 C419 R420 R424	S418-K422 WeakPolarHBondContact O-CG 3.22Å; C419-K422 CarbonylContact O-C 3.52Å; C419-K422 WeakPolarHBondContact O-CA 3.36Å; C419-K422 WeakPolarHBondContact O-CB 3.42Å; C419-K422 PolarHBondContact O-N 3.38Å; R420-K422 PolarHBondContact O-N 3.21Å; R420-K422 VanDerWaalsContact O-N 3.13Å; K422-R424 VanDerWaalsContact C-N 3.28Å; K422-R424 HydrophobicContact CB-CG 4.46Å; K422-R424 PolarHBondContact O-N 3.13Å
423	G	92	Very high	92.8	Very high	35 Å²	35	48.1 Å²	48.1	36%	0.361	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	6.7	-179.5	0	0	0	0	0	114.8	R420 K421 T425 Q432	R420-G423 PolarHBondContact O-N 2.81Å; K421-G423 VanDerWaalsContact C-N 3.33Å; G423-T425 PolarHBondContact O-N 3.2Å; G423-Q432 PolarHBondContact O-NE2 3.35Å; G423-Q432 PolarHBondContact O-OE1 3.38Å
424	R	93.3	Very high	92.2	Very high	97 Å²	97	51 Å²	51	37%	0.366	26%	0.258	S	S	.	.			trans	-84.5	79.7	-177.4	-59.8	-178.6	178.1	-176.9	-6.2	110.8	Y393 S415 C419 K422	Y393-R424 HydrophobicContact CD1-CB 3.83Å; Y393-R424 HydrophobicContact CD1-CG 4.05Å; Y393-R424 HydrophobicContact CD2-CB 3.74Å; Y393-R424 HydrophobicContact CE1-CB 3.69Å; Y393-R424 HydrophobicContact CE1-CG 4.12Å; Y393-R424 HydrophobicContact CE2-CB 3.62Å; Y393-R424 WeakPolarHBondContact CE2-O 3.28Å; Y393-R424 HydrophobicContact CG-CB 3.79Å; Y393-R424 HydrophobicContact CG-CG 4.3Å; Y393-R424 PolarHBondContact O-NH1 3.08Å; Y393-R424 VanDerWaalsContact OH-C 3.27Å; S415-R424 WeakPolarHBondContact CB-O 3.48Å; S415-R424 PolarHBondContact OG-O 2.77Å; C419-R424 HydrophobicContact CB-CB 4.09Å; C419-R424 VanDerWaalsContact O-CB 3.27Å; C419-R424 WeakPolarHBondContact O-CB 3.45Å; C419-R424 PolarHBondContact O-N 2.68Å; C419-R424 VanDerWaalsContact O-N 3.1Å; K422-R424 VanDerWaalsContact C-N 3.28Å; K422-R424 HydrophobicContact CB-CG 4.46Å; K422-R424 PolarHBondContact O-N 3.13Å
425	T	93.1	Very high	91.3	Very high	34 Å²	34	51.5 Å²	51.5	21%	0.209	26%	0.264	C	S	.	.			trans	-119.2	-7.6	-171	54.1	0	0	0	0	113.9	Y393 S405 R420 G423	Y393-T425 PolarHBondContact OH-N 3.49Å; S405-T425 VanDerWaalsContact CB-OG1 3.24Å; S405-T425 WeakPolarHBondContact CB-OG1 3.25Å; S405-T425 PolarHBondContact N-O 3.2Å; S405-T425 PolarHBondContact OG-OG1 3.25Å; R420-T425 HydrophobicContact CB-CG2 4.4Å; R420-T425 HydrophobicContact CG-CG2 4.3Å; G423-T425 PolarHBondContact O-N 3.2Å
426	A	93.3	Very high	90.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-93.5	160.6	-176.8	0	0	0	0	0	114	Y393 C431 Q432	Y393-A426 PolarHBondContact OH-N 3.18Å; Y393-A426 PolarHBondContact OH-O 2.87Å; A426-C431 HydrophobicContact CB-CB 3.8Å; A426-Q432 HydrophobicContact CB-CB 3.85Å; A426-Q432 VanDerWaalsContact CB-N 3.29Å
427	C	90.8	Very high	88.8	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.007	32%	0.317	C	S	.	.	S	Bend	trans	-78.6	-23.1	175.4	59.8	0	0	0	0	113.7	R392 C404 C409 Q411 V413 C452 C454	R392-C427 PolarHBondContact NE-O 3.27Å; R392-C427 PolarHBondContact NH1-O 2.8Å; R392-C427 PolarHBondContact NH2-O 3.34Å; R392-C427 VanDerWaalsContact NH2-O 3.11Å; C404-C427 HydrophobicContact CB-CB 4.35Å; C404-C427 PolarHBondContact SG-N 3.36Å; C404-C427 VanDerWaalsContact SG-SG 3.6Å; C409-C427 PolarHBondContact SG-SG 2.87Å; Q411-C427 HydrophobicContact CB-CB 3.6Å; Q411-C427 HydrophobicContact CG-CB 4.09Å; V413-C427 HydrophobicContact CG2-CB 3.78Å; C427-C452 PolarHBondContact SG-SG 3.33Å; C427-C454 PolarHBondContact O-SG 3.39Å
428	C	89.1	Confident	87.1	Confident	10 Å²	10	60.7 Å²	60.7	7%	0.068	31%	0.307	C	S	.	.	S	Bend	trans	-151.4	166.1	179.7	66.8	0	0	0	0	112	S430 C431 Q432	C428-S430 PolarHBondContact O-N 2.83Å; C428-C431 PolarHBondContact O-N 3.43Å; C428-C431 PolarHBondContact SG-N 3.42Å; C428-Q432 PolarHBondContact O-N 3.05Å
429	P	87.8	Confident	85	Confident	91 Å²	91	64.9 Å²	64.9	59%	0.591	33%	0.325	S	S	*	.	H	α-helix	trans	-58	-33.8	176.8	-25	35.4	0	0	0	113.4	Q432 R433	P429-Q432 PolarHBondContact O-N 3.28Å; P429-R433 WeakPolarHBondContact O-CG 3.42Å; P429-R433 PolarHBondContact O-N 3.47Å; P429-R433 PolarHBondContact O-NE 3.26Å
430	S	87.9	Confident	82.7	Confident	29 Å²	29	73.4 Å²	73.4	20%	0.203	36%	0.361	C	S	.	.	H	α-helix	trans	-67.1	-43.1	177.4	-60.8	0	0	0	0	111.8	C428 R433 K434 E453	C428-S430 PolarHBondContact O-N 2.83Å; S430-R433 PolarHBondContact OG-NH2 3.41Å; S430-K434 WeakPolarHBondContact O-CG 3.21Å; S430-K434 PolarHBondContact O-N 2.88Å; S430-K434 VanDerWaalsContact O-N 3.08Å; S430-E453 PolarHBondContact OG-OE2 3.32Å
431	C	89.4	Confident	80.4	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-66.4	-39.7	172.3	-76.7	0	0	0	0	112.1	T406 A426 C428 R433 K434 G435 C452	T406-C431 VanDerWaalsContact OG1-C 3.3Å; T406-C431 WeakPolarHBondContact OG1-CA 3.19Å; T406-C431 WeakPolarHBondContact OG1-CB 2.95Å; T406-C431 PolarHBondContact OG1-O 3.3Å; A426-C431 HydrophobicContact CB-CB 3.8Å; C428-C431 PolarHBondContact O-N 3.43Å; C428-C431 PolarHBondContact SG-N 3.42Å; C431-R433 PolarHBondContact O-N 3.04Å; C431-K434 PolarHBondContact O-N 3.18Å; C431-G435 PolarHBondContact O-N 3.12Å; C431-C452 VanDerWaalsContact SG-SG 3.62Å
432	Q	87.5	Confident	77.7	Confident	38 Å²	38	75.9 Å²	75.9	18%	0.178	40%	0.396	C	S	.	.	H	α-helix	trans	-57.1	-49.1	177.2	-173.1	66.9	46	0	0	111.2	Y393 G423 A426 C428 P429 G435 E436	Y393-Q432 PolarHBondContact OH-OE1 3.25Å; G423-Q432 PolarHBondContact O-NE2 3.35Å; G423-Q432 PolarHBondContact O-OE1 3.38Å; A426-Q432 HydrophobicContact CB-CB 3.85Å; A426-Q432 VanDerWaalsContact CB-N 3.29Å; C428-Q432 PolarHBondContact O-N 3.05Å; P429-Q432 PolarHBondContact O-N 3.28Å; Q432-G435 PolarHBondContact O-N 3.03Å; Q432-E436 PolarHBondContact NE2-OE1 3.35Å; Q432-E436 WeakPolarHBondContact O-CG 3.41Å; Q432-E436 PolarHBondContact O-N 3.49Å
433	R	85.6	Confident	75.4	Confident	158 Å²	158	72.6 Å²	72.6	60%	0.596	39%	0.391	S	S	*	.	H	α-helix	trans	-62.9	-44.9	176.5	-71.3	-179.7	-68.7	169.3	-0.2	112.7	P429 S430 C431 G435 E436 T437	P429-R433 WeakPolarHBondContact O-CG 3.42Å; P429-R433 PolarHBondContact O-N 3.47Å; P429-R433 PolarHBondContact O-NE 3.26Å; S430-R433 PolarHBondContact OG-NH2 3.41Å; C431-R433 PolarHBondContact O-N 3.04Å; R433-G435 VanDerWaalsContact C-N 3.31Å; R433-G435 PolarHBondContact O-N 3.05Å; R433-E436 PolarHBondContact O-N 3.3Å; R433-T437 PolarHBondContact O-N 2.76Å; R433-T437 PolarHBondContact O-OG1 2.96Å
434	K	82.9	Confident	73.2	Confident	63 Å²	63	78.6 Å²	78.6	27%	0.274	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-40	178.3	-75.2	-176.5	180	-172.6	0	111.9	T406 S430 C431 T437 Q438 E451	T406-K434 HydrophobicContact CG2-CB 3.81Å; T406-K434 HydrophobicContact CG2-CD 4.49Å; S430-K434 WeakPolarHBondContact O-CG 3.21Å; S430-K434 PolarHBondContact O-N 2.88Å; S430-K434 VanDerWaalsContact O-N 3.08Å; C431-K434 PolarHBondContact O-N 3.18Å; K434-T437 WeakPolarHBondContact CA-OG1 3.42Å; K434-T437 PolarHBondContact O-N 3.19Å; K434-T437 PolarHBondContact O-OG1 2.94Å; K434-Q438 VanDerWaalsContact O-CG 3.32Å; K434-Q438 WeakPolarHBondContact O-CG 3.27Å; K434-Q438 PolarHBondContact O-N 2.66Å; K434-Q438 VanDerWaalsContact O-N 3.14Å; K434-E451 VanDerWaalsContact NZ-CB 3.28Å; K434-E451 PolarHBondContact NZ-O 2.97Å; K434-E451 IonicContact NZ-OE2 3.41Å; K434-E451 PolarHBondContact NZ-OE2 2.73Å
435	G	77.1	Confident	71	Confident	15 Å²	15	78.1 Å²	78.1	16%	0.155	42%	0.422	C	S	.	.	H	α-helix	trans	-61.9	-43.5	177	0	0	0	0	0	112.6	C431 Q432 R433 T437 Q438	C431-G435 PolarHBondContact O-N 3.12Å; Q432-G435 PolarHBondContact O-N 3.03Å; R433-G435 VanDerWaalsContact C-N 3.31Å; R433-G435 PolarHBondContact O-N 3.05Å; G435-T437 VanDerWaalsContact C-N 3.27Å; G435-T437 PolarHBondContact O-N 3.33Å; G435-Q438 PolarHBondContact O-N 2.96Å
436	E	73.6	Confident	68.7	Low	122 Å²	122	85 Å²	85	57%	0.57	45%	0.452	S	S	*	.	H	α-helix	trans	-64.8	-28.2	177.7	-69.4	164.7	-165.5	0	0	113.4	Q432 R433	Q432-E436 PolarHBondContact NE2-OE1 3.35Å; Q432-E436 WeakPolarHBondContact O-CG 3.41Å; Q432-E436 PolarHBondContact O-N 3.49Å; R433-E436 PolarHBondContact O-N 3.3Å
437	T	65.4	Low	66.6	Low	96 Å²	96	93.5 Å²	93.5	59%	0.589	49%	0.491	S	S	*	.	H	α-helix	trans	-83.4	-24.4	176.3	43.9	0	0	0	0	114.1	R433 K434 G435	R433-T437 PolarHBondContact O-N 2.76Å; R433-T437 PolarHBondContact O-OG1 2.96Å; K434-T437 WeakPolarHBondContact CA-OG1 3.42Å; K434-T437 PolarHBondContact O-N 3.19Å; K434-T437 PolarHBondContact O-OG1 2.94Å; G435-T437 VanDerWaalsContact C-N 3.27Å; G435-T437 PolarHBondContact O-N 3.33Å
438	Q	60.8	Low	64.8	Low	50 Å²	50	95.9 Å²	95.9	23%	0.234	51%	0.507	C	S	.	.	H	α-helix	trans	-76.4	-19.4	-174.5	-82.8	179.8	-22	0	0	114.2	K434 G435 K440 E441	K434-Q438 VanDerWaalsContact O-CG 3.32Å; K434-Q438 WeakPolarHBondContact O-CG 3.27Å; K434-Q438 PolarHBondContact O-N 2.66Å; K434-Q438 VanDerWaalsContact O-N 3.14Å; G435-Q438 PolarHBondContact O-N 2.96Å; Q438-K440 PolarHBondContact O-N 3.42Å; Q438-E441 PolarHBondContact O-N 3.1Å
439	D	53.9	Low	63.3	Low	155 Å²	155	104.1 Å²	104.1	83%	0.829	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-3.4	171.9	-78.1	-21.8	0	0	0	113.5
440	K	48	Very low	62.3	Low	182 Å²	182	101.8 Å²	101.8	79%	0.791	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-15.3	-176	-65.9	-175	179.1	178.6	0	116.3	Q438	Q438-K440 PolarHBondContact O-N 3.42Å
441	E	45.9	Very low	61.5	Low	167 Å²	167	105.3 Å²	105.3	78%	0.78	54%	0.536	S	S	*	.			trans	-144.4	98.4	-177.4	-71.1	-176.7	172.6	0	0	111.1	Q438 S443	Q438-E441 PolarHBondContact O-N 3.1Å; E441-S443 PolarHBondContact O-N 3.39Å
442	A	39.9	Very low	61.2	Low	110 Å²	110	105.3 Å²	105.3	91%	0.909	54%	0.536	S	S	*	.			trans	-77.1	113	169.7	0	0	0	0	0	109.1
443	S	46.3	Very low	61	Low	72 Å²	72	107.6 Å²	107.6	50%	0.503	55%	0.547	S	S	.	.			trans	-115.3	129.7	168.5	59.7	0	0	0	0	110.5	E441 V445	E441-S443 PolarHBondContact O-N 3.39Å; S443-V445 PolarHBondContact O-N 2.95Å
444	D	45.9	Very low	60.8	Low	161 Å²	161	101.2 Å²	101.2	86%	0.861	53%	0.526	S	S	*	.			trans	-80	96.8	-179.2	-166.9	14	0	0	0	109
445	V	47	Very low	60.7	Low	86 Å²	86	99.7 Å²	99.7	52%	0.521	52%	0.522	S	S	.	.			trans	-130.1	110.5	172.3	-175.5	0	0	0	0	109.2	S443 H447 P448	S443-V445 PolarHBondContact O-N 2.95Å; V445-H447 PolarHBondContact O-N 3.13Å; V445-P448 HydrophobicContact CB-CG 4.39Å; V445-P448 HydrophobicContact CG1-CG 4.35Å
446	Q	45.7	Very low	60.7	Low	178 Å²	178	104.7 Å²	104.7	83%	0.832	55%	0.546	S	S	*	.	S	Bend	trans	-69	110.4	170.9	-85.6	170.1	-25.6	0	0	110.1
447	H	48.9	Very low	60.9	Low	179 Å²	179	103.8 Å²	103.8	83%	0.829	55%	0.548	S	S	*	.	S	Bend	trans	68.3	70.9	174.4	-55.5	-19.6	0	0	0	116.7	V445	V445-H447 PolarHBondContact O-N 3.13Å
448	P	52.8	Low	61.5	Low	52 Å²	52	102 Å²	102	34%	0.338	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-65.4	138.1	171.5	-15.9	33.8	0	0	0	110	F408 V445 E450	F408-P448 HydrophobicContact CB-CB 4.43Å; F408-P448 HydrophobicContact CD1-CB 3.2Å; F408-P448 HydrophobicContact CD1-CG 3.23Å; F408-P448 HydrophobicContact CE1-CB 3.56Å; F408-P448 HydrophobicContact CE1-CG 3.23Å; F408-P448 HydrophobicContact CG-CB 4Å; F408-P448 HydrophobicContact CG-CG 4.42Å; F408-P448 HydrophobicContact CZ-CG 4.44Å; V445-P448 HydrophobicContact CB-CG 4.39Å; V445-P448 HydrophobicContact CG1-CG 4.35Å; P448-E450 PolarHBondContact O-N 2.99Å
449	K	57.6	Low	62.2	Low	183 Å²	183	102.7 Å²	102.7	80%	0.796	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-58.6	138	169.2	-171.1	179.7	177.4	-169.9	0	108	E451	K449-E451 PolarHBondContact O-N 3.27Å
450	E	66.3	Low	63.3	Low	42 Å²	42	102.5 Å²	102.5	20%	0.196	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-61.8	121.4	179.2	-170.8	-172.9	-171.4	0	0	110	R302 F408 Q411 P448 C452 T455	R302-E450 IonicContact CZ-OE2 3.84Å; R302-E450 VanDerWaalsContact CZ-OE2 3.32Å; R302-E450 IonicContact NH1-OE2 2.66Å; R302-E450 PolarHBondContact NH1-OE2 2.79Å; R302-E450 VanDerWaalsContact NH1-OE2 3.09Å; R302-E450 IonicContact NH2-OE1 3.67Å; R302-E450 PolarHBondContact NH2-OE1 3.16Å; R302-E450 IonicContact NH2-OE2 3.2Å; R302-E450 PolarHBondContact NH2-OE2 3.2Å; F408-E450 VanDerWaalsContact O-CA 3.31Å; F408-E450 WeakPolarHBondContact O-CA 3.41Å; Q411-E450 PolarHBondContact NE2-OE1 3.16Å; P448-E450 PolarHBondContact O-N 2.99Å; E450-C452 HydrophobicContact CG-CB 4.29Å; E450-T455 PolarHBondContact OE1-OG1 2.83Å; E450-T455 PolarHBondContact OE2-OG1 3.14Å; E450-T455 VanDerWaalsContact OE2-OG1 3.12Å
451	E	71.2	Confident	64.7	Low	103 Å²	103	94.8 Å²	94.8	48%	0.481	50%	0.5	S	S	.	.			trans	-117.3	74.2	-178.8	-67.5	-176.3	-178.3	0	0	110.3	F408 K434 K449	F408-E451 PolarHBondContact O-N 3.32Å; K434-E451 VanDerWaalsContact NZ-CB 3.28Å; K434-E451 PolarHBondContact NZ-O 2.97Å; K434-E451 IonicContact NZ-OE2 3.41Å; K434-E451 PolarHBondContact NZ-OE2 2.73Å; K449-E451 PolarHBondContact O-N 3.27Å
452	C	82.1	Confident	66	Low	0 Å²	0	87.5 Å²	87.5	0%	0	47%	0.467	C	S	.	.			trans	-129.9	129.3	-177.7	177.2	0	0	0	0	110.6	C427 C431 E450 C454 T455 D456	C427-C452 PolarHBondContact SG-SG 3.33Å; C431-C452 VanDerWaalsContact SG-SG 3.62Å; E450-C452 HydrophobicContact CG-CB 4.29Å; C452-C454 PolarHBondContact O-N 3.24Å; C452-C454 VanDerWaalsContact SG-CB 3.56Å; C452-C454 PolarHBondContact SG-N 3.44Å; C452-T455 WeakPolarHBondContact O-CA 3.42Å; C452-T455 WeakPolarHBondContact O-CB 3.32Å; C452-T455 PolarHBondContact O-N 3.28Å; C452-D456 PolarHBondContact O-N 3.13Å
453	E	83.4	Confident	67.2	Low	85 Å²	85	89.6 Å²	89.6	40%	0.397	46%	0.458	S	S	.	.	H	α-helix	trans	-55.2	-34.6	174.6	-173.8	-176.8	166.3	0	0	113	S430 T455 D456 T457	S430-E453 PolarHBondContact OG-OE2 3.32Å; E453-T455 PolarHBondContact O-N 3.19Å; E453-D456 PolarHBondContact O-N 2.91Å; E453-T457 HydrophobicContact CG-CG2 3.86Å; E453-T457 WeakPolarHBondContact O-CB 3.4Å; E453-T457 WeakPolarHBondContact O-CG2 3.25Å; E453-T457 PolarHBondContact O-N 3.29Å; E453-T457 PolarHBondContact O-OG1 3.4Å
454	C	82.8	Confident	67.9	Low	24 Å²	24	88.3 Å²	88.3	16%	0.162	45%	0.445	C	S	.	.	H	α-helix	trans	-63.7	-26.7	174.7	-67.2	0	0	0	0	113.2	C427 C452 R458	C427-C454 PolarHBondContact O-SG 3.39Å; C452-C454 PolarHBondContact O-N 3.24Å; C452-C454 VanDerWaalsContact SG-CB 3.56Å; C452-C454 PolarHBondContact SG-N 3.44Å; C454-R458 VanDerWaalsContact O-CB 3.26Å; C454-R458 WeakPolarHBondContact O-CB 3.24Å
455	T	81	Confident	67.8	Low	32 Å²	32	90.1 Å²	90.1	20%	0.196	46%	0.462	C	S	.	.	H	α-helix	trans	-83.4	-42.6	175.7	-71.2	0	0	0	0	110.6	R302 Q411 E450 C452 E453	R302-T455 PolarHBondContact NH1-OG1 2.94Å; Q411-T455 PolarHBondContact NE2-OG1 3.22Å; Q411-T455 VanDerWaalsContact NE2-OG1 3.1Å; E450-T455 PolarHBondContact OE1-OG1 2.83Å; E450-T455 PolarHBondContact OE2-OG1 3.14Å; E450-T455 VanDerWaalsContact OE2-OG1 3.12Å; C452-T455 WeakPolarHBondContact O-CA 3.42Å; C452-T455 WeakPolarHBondContact O-CB 3.32Å; C452-T455 PolarHBondContact O-N 3.28Å; E453-T455 PolarHBondContact O-N 3.19Å
456	D	77	Confident	68.9	Low	120 Å²	120	90.4 Å²	90.4	64%	0.642	46%	0.459	S	S	*	.	H	α-helix	trans	-71.4	-38.9	-175.5	-64.8	-28.3	0	0	0	112.9	C452 E453	C452-D456 PolarHBondContact O-N 3.13Å; E453-D456 PolarHBondContact O-N 2.91Å
457	T	77.8	Confident	70.1	Confident	102 Å²	102	85.7 Å²	85.7	63%	0.626	44%	0.439	S	S	*	.	S	Bend	trans	-86.1	-12.9	-176.7	58.1	0	0	0	0	113.6	E453 A459	E453-T457 HydrophobicContact CG-CG2 3.86Å; E453-T457 WeakPolarHBondContact O-CB 3.4Å; E453-T457 WeakPolarHBondContact O-CG2 3.25Å; E453-T457 PolarHBondContact O-N 3.29Å; E453-T457 PolarHBondContact O-OG1 3.4Å; T457-A459 PolarHBondContact O-N 3.4Å
458	R	77.6	Confident	71.2	Confident	59 Å²	59	80.6 Å²	80.6	22%	0.223	42%	0.418	C	S	.	.	S	Bend	trans	-75.3	119.8	-176.7	-174.4	178.2	-167.6	118.6	8	109.8	F285 N300 C454 R460	F285-R458 VanDerWaalsContact CD1-NH1 3.33Å; F285-R458 VanDerWaalsContact CE1-CZ 3.42Å; F285-R458 VanDerWaalsContact CG-CZ 3.49Å; N300-R458 PolarHBondContact O-NH2 2.88Å; N300-R458 PolarHBondContact OD1-NH2 2.96Å; C454-R458 VanDerWaalsContact O-CB 3.26Å; C454-R458 WeakPolarHBondContact O-CB 3.24Å; R458-R460 PolarHBondContact O-N 2.87Å; R458-R460 VanDerWaalsContact O-N 3.15Å
459	A	75.9	Confident	72.3	Confident	64 Å²	64	82.2 Å²	82.2	53%	0.529	42%	0.422	S	S	.	.			trans	-50.3	125	170.1	0	0	0	0	0	109.3	T457 I461	T457-A459 PolarHBondContact O-N 3.4Å; A459-I461 PolarHBondContact O-N 3.26Å
460	R	77.2	Confident	73.3	Confident	152 Å²	152	75.9 Å²	75.9	57%	0.574	40%	0.399	S	S	*	.	S	Bend	trans	-56.5	-44	179	178.2	-178.8	159.9	-174.6	-9.5	109.8	Y306 D309 R458	Y306-R460 HydrophobicContact CD1-CG 4.28Å; Y306-R460 HydrophobicContact CD2-CG 4.06Å; Y306-R460 WeakPolarHBondContact CD2-O 3.2Å; Y306-R460 HydrophobicContact CE1-CG 4.26Å; Y306-R460 HydrophobicContact CE2-CG 3.98Å; Y306-R460 HydrophobicContact CG-CG 4.22Å; D309-R460 IonicContact OD2-CZ 3.99Å; D309-R460 IonicContact OD2-NE 3.64Å; D309-R460 IonicContact OD2-NH2 3.47Å; D309-R460 PolarHBondContact OD2-NH2 3.01Å; R458-R460 PolarHBondContact O-N 2.87Å; R458-R460 VanDerWaalsContact O-N 3.15Å
461	I	77.3	Confident	73.7	Confident	20 Å²	20	78.2 Å²	78.2	10%	0.103	41%	0.413	C	S	.	.	S	Bend	trans	-117.3	118.9	177.9	-48.3	-55.6	0	0	0	108.3	Y306 D309 Q313 A459	Y306-I461 HydrophobicContact CG-CD1 4.42Å; D309-I461 HydrophobicContact CB-CD1 3.25Å; D309-I461 HydrophobicContact CB-CG1 3.73Å; Q313-I461 HydrophobicContact CB-CG2 4.46Å; Q313-I461 VanDerWaalsContact CD-CG2 3.46Å; Q313-I461 HydrophobicContact CG-CG2 4.4Å; A459-I461 PolarHBondContact O-N 3.26Å
462	P	71.8	Confident	73.9	Confident	13 Å²	13	76.4 Å²	76.4	8%	0.084	41%	0.408	C	S	.	.			trans	-75.2	145.3	175.5	31.1	-32.2	0	0	0	110.7	N300 I301 Y310	N300-P462 HydrophobicContact CB-CB 3.86Å; N300-P462 HydrophobicContact CB-CG 4.05Å; I301-P462 HydrophobicContact CG2-CG 4.04Å; Y310-P462 HydrophobicContact CD2-CG 3.81Å; Y310-P462 HydrophobicContact CE2-CG 4.17Å
463	Q	65.9	Low	73.3	Confident	154 Å²	154	82.3 Å²	82.3	72%	0.72	44%	0.439	S	S	*	.			trans	-98.1	117.9	165.3	-69.4	-178.7	-21.2	0	0	107.2
464	D	60.1	Low	72.4	Confident	45 Å²	45	82.1 Å²	82.1	24%	0.241	44%	0.443	C	S	.	.			trans	-88.3	107.1	171.5	-67	-31.2	0	0	0	106.5	L297 Y310 L317	L297-D464 HydrophobicContact CD1-CB 4.33Å; L297-D464 WeakPolarHBondContact CD1-OD2 3.48Å; Y310-D464 WeakPolarHBondContact CE2-OD2 3.34Å; Y310-D464 PolarHBondContact OH-OD2 2.66Å; L317-D464 HydrophobicContact CD1-CB 4.24Å
465	V	44.7	Very low	71.5	Confident	200 Å²	200	87.4 Å²	87.4	100%	1.212	47%	0.468	S	S	*	.			trans	-79.7	0	-179	-173.5	0	0	0	0	110.8

Retrieved 465 of 465 residues in 1146.4 ms (Link to these results)

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