A0A087XG78_POEFO Loading...

Olfactomedin 2a

AlphaFold DB , UniProt , Accession A0A087XG78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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	45.3	Very low	32.4	Very low	220 Å²	220	156.9 Å²	156.9	100%	1.084	82%	0.819	S	S	*	*				0	133.8	0	-110.4	163.8	80	0	0	107.7
2	H	38.2	Very low	32.5	Very low	160 Å²	160	157.9 Å²	157.9	74%	0.741	82%	0.82	S	S	*	*			trans	69.6	74.2	-178.4	-53.5	-63.4	0	0	0	116.8
3	L	27.1	Very low	32.7	Very low	164 Å²	164	159.2 Å²	159.2	86%	0.859	83%	0.827	S	S	*	*	S	Bend	trans	-167	-14.4	150.5	-102.9	145.6	0	0	0	111.8	S5	L3-S5 VanDerWaalsContact C-N 3.34Å; L3-S5 PolarHBondContact O-N 3.5Å
4	F	30.4	Very low	32.6	Very low	209 Å²	209	154.6 Å²	154.6	92%	0.917	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-1.4	176.8	-93.7	-85.5	0	0	0	116
5	S	31.1	Very low	32.5	Very low	100 Å²	100	150 Å²	150	70%	0.699	83%	0.828	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-7.2	-173.8	-165.1	0	0	0	0	115	L3	L3-S5 VanDerWaalsContact C-N 3.34Å; L3-S5 PolarHBondContact O-N 3.5Å
6	A	30.5	Very low	32.4	Very low	79 Å²	79	151.6 Å²	151.6	65%	0.653	83%	0.83	S	S	*	*	S	Bend	trans	-99.7	-17.4	-174.5	0	0	0	0	0	114.1	F8	A6-F8 VanDerWaalsContact C-N 3.29Å; A6-F8 PolarHBondContact O-N 3.03Å
7	M	28.5	Very low	32.4	Very low	174 Å²	174	149.8 Å²	149.8	86%	0.857	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	5.2	177.1	-119.5	-176.7	85.6	0	0	113.7
8	F	32.1	Very low	32.4	Very low	185 Å²	185	147.8 Å²	147.8	81%	0.811	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-7.5	178.1	-137.2	-93.7	0	0	0	112.9	A6	A6-F8 VanDerWaalsContact C-N 3.29Å; A6-F8 PolarHBondContact O-N 3.03Å
9	L	31	Very low	32.4	Very low	146 Å²	146	148.8 Å²	148.8	76%	0.764	82%	0.824	S	S	*	*	S	Bend	trans	-112.1	0.8	-171.6	-121.4	92.3	0	0	0	115.8
10	L	29.7	Very low	32.4	Very low	156 Å²	156	145.1 Å²	145.1	82%	0.817	81%	0.813	S	S	*	*	S	Bend	trans	-119.6	10.7	-170.6	-118.6	116.5	0	0	0	116.7
11	V	32.8	Very low	32.4	Very low	133 Å²	133	145.7 Å²	145.7	81%	0.806	81%	0.813	S	S	*	*	S	Bend	trans	-110.8	5.3	172.6	-171.2	0	0	0	0	112.3	L13	V11-L13 PolarHBondContact O-N 3.19Å
12	M	33	Very low	31.9	Very low	169 Å²	169	144.9 Å²	144.9	83%	0.833	80%	0.8	S	S	*	*	S	Bend	trans	-73.7	16.8	175.8	-86.9	-68.7	-137.6	0	0	115.1
13	L	35.9	Very low	31.7	Very low	175 Å²	175	141.7 Å²	141.7	92%	0.916	79%	0.793	S	S	*	*			trans	-143	70.7	-178.2	-74.9	169.1	0	0	0	112	V11	V11-L13 PolarHBondContact O-N 3.19Å
14	A	30.6	Very low	31.8	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	78%	0.777	S	S	*	*			trans	-156.2	72.2	151.8	0	0	0	0	0	108.5	M16	A14-M16 PolarHBondContact O-N 3.11Å
15	G	30.8	Very low	32.4	Very low	85 Å²	85	133.9 Å²	133.9	88%	0.876	78%	0.775	S	S	*	*			trans	-69.9	106.8	169.4	0	0	0	0	0	109.9
16	M	31.3	Very low	32.7	Very low	176 Å²	176	137.6 Å²	137.6	87%	0.867	78%	0.781	S	S	*	*			trans	-108	138	148	-77.7	-165.1	166.1	0	0	107.7	A14 S18	A14-M16 PolarHBondContact O-N 3.11Å; M16-S18 PolarHBondContact O-N 3.1Å; M16-S18 VanDerWaalsContact O-N 3.11Å
17	P	33.2	Very low	33.3	Very low	120 Å²	120	141.6 Å²	141.6	78%	0.779	79%	0.787	S	S	*	*			trans	-73.3	107	177	30	-29.6	0	0	0	108.1	E19	P17-E19 VanDerWaalsContact C-N 3.33Å; P17-E19 PolarHBondContact O-N 3.18Å
18	S	32.3	Very low	34	Very low	115 Å²	115	135 Å²	135	80%	0.804	76%	0.762	S	S	*	*			trans	-75	96.7	155.7	57.4	0	0	0	0	106.5	M16 A20	M16-S18 PolarHBondContact O-N 3.1Å; M16-S18 VanDerWaalsContact O-N 3.11Å; S18-A20 VanDerWaalsContact C-N 3.27Å; S18-A20 PolarHBondContact O-N 3.25Å
19	E	32	Very low	34.5	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	75%	0.748	S	S	*	*			trans	-56.5	95.4	164.7	-80.5	179.4	150.6	0	0	108.4	P17 L21	P17-E19 VanDerWaalsContact C-N 3.33Å; P17-E19 PolarHBondContact O-N 3.18Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 2.93Å; E19-L21 VanDerWaalsContact O-N 3.1Å
20	A	31.4	Very low	34.9	Very low	73 Å²	73	131.6 Å²	131.6	60%	0.603	74%	0.74	S	S	*	*			trans	-67.1	101.5	153.6	0	0	0	0	0	105.7	S18 Y22	S18-A20 VanDerWaalsContact C-N 3.27Å; S18-A20 PolarHBondContact O-N 3.25Å; A20-Y22 HydrophobicContact CB-CD2 3.99Å; A20-Y22 HydrophobicContact CB-CE2 4.17Å; A20-Y22 PolarHBondContact O-N 3.03Å
21	L	34	Very low	35.5	Very low	158 Å²	158	130.6 Å²	130.6	83%	0.827	73%	0.734	S	S	*	*			trans	-63.1	81.8	164.1	-98.2	102.5	0	0	0	108.1	E19	E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 2.93Å; E19-L21 VanDerWaalsContact O-N 3.1Å
22	Y	33.6	Very low	36.1	Very low	204 Å²	204	130.4 Å²	130.4	80%	0.8	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-76.3	126.9	151.4	-83.7	-85.4	0	0	0	106.6	A20 S24	A20-Y22 HydrophobicContact CB-CD2 3.99Å; A20-Y22 HydrophobicContact CB-CE2 4.17Å; A20-Y22 PolarHBondContact O-N 3.03Å; Y22-S24 PolarHBondContact O-N 3.35Å
23	P	33.4	Very low	36.7	Very low	93 Å²	93	127 Å²	127	60%	0.604	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-59.3	138.5	174.2	22.7	-29.5	0	0	0	109.6
24	S	30.8	Very low	37.3	Very low	73 Å²	73	122.4 Å²	122.4	51%	0.51	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-49.1	150.1	174.8	164.8	0	0	0	0	111.4	Y22 E26 E27	Y22-S24 PolarHBondContact O-N 3.35Å; S24-E26 PolarHBondContact O-N 3.43Å; S24-E26 PolarHBondContact OG-N 3.18Å; S24-E27 PolarHBondContact O-N 3.25Å
25	P	42	Very low	38.4	Very low	136 Å²	136	120.6 Å²	120.6	88%	0.883	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	-6.4	176	13.9	-24	0	0	0	115.9
26	E	36.8	Very low	39.4	Very low	177 Å²	177	123.3 Å²	123.3	83%	0.827	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-9	-178.5	-59.4	-155.7	162	0	0	115.7	S24 G28	S24-E26 PolarHBondContact O-N 3.43Å; S24-E26 PolarHBondContact OG-N 3.18Å; E26-G28 PolarHBondContact O-N 3.4Å
27	E	44	Very low	40.5	Very low	164 Å²	164	117.5 Å²	117.5	77%	0.766	64%	0.642	S	S	*	*	S	Bend	trans	-98.1	39.4	-176.8	-72.8	-170	150.8	0	0	114.7	S24	S24-E27 PolarHBondContact O-N 3.25Å
28	G	43.5	Very low	41.5	Very low	34 Å²	34	117 Å²	117	35%	0.351	65%	0.649	S	S	.	*	S	Bend	trans	-100.2	-33.4	-172.6	0	0	0	0	0	117.1	E26	E26-G28 PolarHBondContact O-N 3.4Å
29	W	41.9	Very low	42.9	Very low	132 Å²	132	118.3 Å²	118.3	50%	0.5	65%	0.646	S	S	.	*			trans	-148.9	118.8	-171.3	-62.2	85.5	0	0	0	109.5	V46 A48 L187	W29-V46 HydrophobicContact CE3-CG1 3.45Å; W29-V46 VanDerWaalsContact CE3-CG1 3.45Å; W29-V46 HydrophobicContact CZ3-CG1 3.52Å; W29-A48 HydrophobicContact CH2-CB 4.12Å; W29-A48 HydrophobicContact CZ3-CB 3.89Å; W29-L187 HydrophobicContact CH2-CD1 4.48Å; W29-L187 HydrophobicContact CZ2-CD1 3.94Å
30	Q	39.7	Very low	43.9	Very low	129 Å²	129	112.5 Å²	112.5	60%	0.603	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107	114.1	169.3	-70.1	-176.7	-15.1	0	0	108.3	Y32	Q30-Y32 HydrophobicContact CB-CD2 4.28Å; Q30-Y32 HydrophobicContact CB-CE2 3.61Å; Q30-Y32 WeakPolarHBondContact O-CD2 3.45Å; Q30-Y32 PolarHBondContact O-N 3.34Å; Q30-Y32 PolarHBondContact OE1-OH 3.17Å
31	I	43.2	Very low	44.6	Very low	135 Å²	135	116 Å²	116	69%	0.692	63%	0.633	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.3	112	173.4	-60.4	173.4	0	0	0	106.6
32	Y	43.8	Very low	45.4	Very low	129 Å²	129	112.5 Å²	112.5	51%	0.506	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.7	130.9	168.3	-68.4	-91.9	0	0	0	107.2	Q30 V47	Q30-Y32 HydrophobicContact CB-CD2 4.28Å; Q30-Y32 HydrophobicContact CB-CE2 3.61Å; Q30-Y32 WeakPolarHBondContact O-CD2 3.45Å; Q30-Y32 PolarHBondContact O-N 3.34Å; Q30-Y32 PolarHBondContact OE1-OH 3.17Å; Y32-V47 HydrophobicContact CD2-CG2 4.08Å; Y32-V47 HydrophobicContact CE2-CG2 4.34Å
33	S	47.5	Very low	46.1	Very low	96 Å²	96	106.7 Å²	106.7	67%	0.671	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-26.5	150.4	-172.1	62.4	0	0	0	0	117.9	A35	S33-A35 PolarHBondContact O-N 3.01Å
34	S	48	Very low	46.8	Very low	80 Å²	80	106 Å²	106	56%	0.559	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.2	111.5	163	55.3	0	0	0	0	111	I43	S34-I43 WeakPolarHBondContact CA-O 3.41Å
35	A	53.2	Low	47.5	Very low	56 Å²	56	106.3 Å²	106.3	46%	0.463	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.7	143.2	167	0	0	0	0	0	109.4	S33 I43	S33-A35 PolarHBondContact O-N 3.01Å; A35-I43 PolarHBondContact N-O 3.44Å; A35-I43 VanDerWaalsContact N-O 3.16Å; A35-I43 PolarHBondContact O-N 3.09Å
36	Q	51.9	Low	47.7	Very low	143 Å²	143	103.7 Å²	103.7	67%	0.668	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.6	135.6	171	-82.1	175.6	-3.1	0	0	110.2	K41	Q36-K41 CarbonylContact C-O 3.58Å; Q36-K41 VanDerWaalsContact CA-O 3.32Å; Q36-K41 WeakPolarHBondContact CA-O 3.48Å
37	D	53.5	Low	48.1	Very low	53 Å²	53	99.3 Å²	99.3	28%	0.283	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-73.8	173.2	166.6	72.1	10.6	0	0	0	111.6	D39 G40 K41 I43	D37-D39 PolarHBondContact O-N 3.06Å; D37-D39 VanDerWaalsContact O-N 3.07Å; D37-D39 WeakPolarHBondContact OD1-CA 3.44Å; D37-D39 PolarHBondContact OD1-N 2.93Å; D37-G40 PolarHBondContact O-N 3.24Å; D37-G40 PolarHBondContact OD1-N 2.64Å; D37-K41 PolarHBondContact N-O 3.03Å; D37-K41 PolarHBondContact OD1-N 3Å; D37-I43 HydrophobicContact CB-CD1 3.83Å; D37-I43 HydrophobicContact CB-CG1 4.48Å
38	A	55.6	Low	48.1	Very low	111 Å²	111	94.1 Å²	94.1	92%	0.917	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.7	-179.3	0	0	0	0	0	113.8
39	D	61.9	Low	48.2	Very low	141 Å²	141	96 Å²	96	75%	0.754	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	6.5	177.8	-61.5	-42.1	0	0	0	112.3	D37	D37-D39 PolarHBondContact O-N 3.06Å; D37-D39 VanDerWaalsContact O-N 3.07Å; D37-D39 WeakPolarHBondContact OD1-CA 3.44Å; D37-D39 PolarHBondContact OD1-N 2.93Å
40	G	52.3	Low	48.5	Very low	45 Å²	45	93 Å²	93	46%	0.464	56%	0.56	S	S	.	*	S	Bend	trans	80.5	11.9	177	0	0	0	0	0	115.1	D37	D37-G40 PolarHBondContact O-N 3.24Å; D37-G40 PolarHBondContact OD1-N 2.64Å
41	K	45.6	Very low	48.8	Very low	146 Å²	146	95.4 Å²	95.4	64%	0.635	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-83.5	132.7	175.4	-70.3	176.5	178.2	169	0	110.9	Q36 D37 I43	Q36-K41 CarbonylContact C-O 3.58Å; Q36-K41 VanDerWaalsContact CA-O 3.32Å; Q36-K41 WeakPolarHBondContact CA-O 3.48Å; D37-K41 PolarHBondContact N-O 3.03Å; D37-K41 PolarHBondContact OD1-N 3Å; K41-I43 PolarHBondContact O-N 3.04Å
42	C	51.8	Low	49.1	Very low	86 Å²	86	94.4 Å²	94.4	58%	0.581	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.7	120.4	173.4	-67.9	0	0	0	0	110.4
43	I	47.3	Very low	49.3	Very low	82 Å²	82	94.5 Å²	94.5	42%	0.421	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.8	116.1	172.5	-60.9	176	0	0	0	107.8	S34 A35 D37 K41	S34-I43 WeakPolarHBondContact CA-O 3.41Å; A35-I43 PolarHBondContact N-O 3.44Å; A35-I43 VanDerWaalsContact N-O 3.16Å; A35-I43 PolarHBondContact O-N 3.09Å; D37-I43 HydrophobicContact CB-CD1 3.83Å; D37-I43 HydrophobicContact CB-CG1 4.48Å; K41-I43 PolarHBondContact O-N 3.04Å
44	C	47.7	Very low	49.6	Very low	79 Å²	79	94.3 Å²	94.3	53%	0.534	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	116.4	167.2	-73.9	0	0	0	0	109.2
45	T	46.7	Very low	49.8	Very low	78 Å²	78	93.6 Å²	93.6	48%	0.479	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94	106.6	173.8	-47.8	0	0	0	0	109.3
46	V	46.6	Very low	49.8	Very low	82 Å²	82	101.1 Å²	101.1	50%	0.497	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.6	116.1	174.7	-173.4	0	0	0	0	108.3	W29 A48	W29-V46 HydrophobicContact CE3-CG1 3.45Å; W29-V46 VanDerWaalsContact CE3-CG1 3.45Å; W29-V46 HydrophobicContact CZ3-CG1 3.52Å; V46-A48 PolarHBondContact O-N 2.76Å
47	V	43.6	Very low	50.3	Low	84 Å²	84	97.3 Å²	97.3	51%	0.509	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.3	96.7	172.4	-176.9	0	0	0	0	107.6	Y32	Y32-V47 HydrophobicContact CD2-CG2 4.08Å; Y32-V47 HydrophobicContact CE2-CG2 4.34Å
48	A	44.2	Very low	50.8	Low	55 Å²	55	99.3 Å²	99.3	46%	0.455	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-69.5	146.5	168.5	0	0	0	0	0	109.7	W29 V46 A50	W29-A48 HydrophobicContact CH2-CB 4.12Å; W29-A48 HydrophobicContact CZ3-CB 3.89Å; V46-A48 PolarHBondContact O-N 2.76Å; A48-A50 PolarHBondContact O-N 3.4Å
49	P	47	Very low	51.2	Low	73 Å²	73	100.6 Å²	100.6	47%	0.474	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-52.9	133.7	169.5	-21.3	30.9	0	0	0	109.6	Q51 M53	P49-Q51 PolarHBondContact O-N 2.84Å; P49-Q51 VanDerWaalsContact O-N 3.16Å; P49-M53 HydrophobicContact CB-SD 4.37Å
50	A	48	Very low	51.3	Low	71 Å²	71	95.1 Å²	95.1	59%	0.587	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-53.8	124.8	-175.8	0	0	0	0	0	110.9	A48 N52 M53	A48-A50 PolarHBondContact O-N 3.4Å; A50-N52 PolarHBondContact O-N 3.36Å; A50-M53 VanDerWaalsContact O-CG 3.25Å; A50-M53 WeakPolarHBondContact O-CG 3.49Å; A50-M53 PolarHBondContact O-N 3.05Å
51	Q	45.6	Very low	52.1	Low	179 Å²	179	100.1 Å²	100.1	84%	0.836	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.9	167.2	-78	-175.1	-18.9	0	0	107.6	P49	P49-Q51 PolarHBondContact O-N 2.84Å; P49-Q51 VanDerWaalsContact O-N 3.16Å
52	N	49.4	Very low	53.4	Low	113 Å²	113	97 Å²	97	60%	0.604	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	33.9	-176.9	-41.1	-57.3	0	0	0	117.6	A50 C54 N55	A50-N52 PolarHBondContact O-N 3.36Å; N52-C54 PolarHBondContact O-N 2.95Å; N52-C54 VanDerWaalsContact O-N 3.09Å; N52-N55 HydrophobicContact CB-CB 4.28Å; N52-N55 WeakPolarHBondContact CB-ND2 3.44Å; N52-N55 WeakPolarHBondContact O-CB 3.5Å; N52-N55 PolarHBondContact O-N 3.15Å
53	M	48.7	Very low	54.3	Low	132 Å²	132	96.4 Å²	96.4	65%	0.65	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-52.3	-30.9	168.7	-63.2	-142.9	73.2	0	0	112.9	P49 A50 N55 R56	P49-M53 HydrophobicContact CB-SD 4.37Å; A50-M53 VanDerWaalsContact O-CG 3.25Å; A50-M53 WeakPolarHBondContact O-CG 3.49Å; A50-M53 PolarHBondContact O-N 3.05Å; M53-N55 VanDerWaalsContact C-N 3.31Å; M53-N55 PolarHBondContact O-N 3.46Å; M53-R56 PolarHBondContact O-N 3.49Å
54	C	52.8	Low	55.4	Low	91 Å²	91	99.4 Å²	99.4	62%	0.615	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.9	176.9	-53.4	0	0	0	0	114.2	N52 R56 D57 S60	N52-C54 PolarHBondContact O-N 2.95Å; N52-C54 VanDerWaalsContact O-N 3.09Å; C54-R56 PolarHBondContact O-N 3.32Å; C54-D57 VanDerWaalsContact O-CB 3.23Å; C54-D57 WeakPolarHBondContact O-CB 3.41Å; C54-D57 PolarHBondContact O-N 3.05Å; C54-D57 VanDerWaalsContact O-N 3.08Å; C54-S60 WeakPolarHBondContact O-CB 3.24Å; C54-S60 PolarHBondContact O-OG 3.09Å
55	N	51.7	Low	56.8	Low	65 Å²	65	101.3 Å²	101.3	35%	0.348	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-68.2	-20.2	179.4	-83.6	-21.2	0	0	0	113	N52 M53 R64	N52-N55 HydrophobicContact CB-CB 4.28Å; N52-N55 WeakPolarHBondContact CB-ND2 3.44Å; N52-N55 WeakPolarHBondContact O-CB 3.5Å; N52-N55 PolarHBondContact O-N 3.15Å; M53-N55 VanDerWaalsContact C-N 3.31Å; M53-N55 PolarHBondContact O-N 3.46Å; N55-R64 PolarHBondContact OD1-NH2 3.38Å
56	R	54.5	Low	58.3	Low	215 Å²	215	98.3 Å²	98.3	81%	0.811	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-91	-10.7	174.6	-66.1	-175.2	178.8	-176.3	0.7	112.6	M53 C54	M53-R56 PolarHBondContact O-N 3.49Å; C54-R56 PolarHBondContact O-N 3.32Å
57	D	62	Low	59.4	Low	62 Å²	62	100.9 Å²	100.9	33%	0.332	51%	0.511	S	S	.	.			trans	-67	122.9	177.2	-169.5	-30.5	0	0	0	109.8	C54 R59 S60 R61	C54-D57 VanDerWaalsContact O-CB 3.23Å; C54-D57 WeakPolarHBondContact O-CB 3.41Å; C54-D57 PolarHBondContact O-N 3.05Å; C54-D57 VanDerWaalsContact O-N 3.08Å; D57-R59 PolarHBondContact O-N 3.29Å; D57-R59 VanDerWaalsContact OD1-CB 3.25Å; D57-R59 WeakPolarHBondContact OD1-CB 3.42Å; D57-R59 WeakPolarHBondContact OD1-CG 3.44Å; D57-R59 PolarHBondContact OD1-N 3.05Å; D57-S60 PolarHBondContact O-N 3.42Å; D57-S60 PolarHBondContact O-OG 3.43Å; D57-R61 PolarHBondContact O-N 3.4Å
58	P	64.9	Low	61.1	Low	96 Å²	96	102.7 Å²	102.7	62%	0.623	51%	0.514	S	S	*	.	H	α-helix	trans	-55.3	-29.8	175.1	20.6	-31	0	0	0	113.2	R61 Q62	P58-R61 PolarHBondContact O-N 3.31Å; P58-Q62 PolarHBondContact O-N 3.04Å; P58-Q62 VanDerWaalsContact O-N 3.07Å
59	R	63.9	Low	62.7	Low	137 Å²	137	106 Å²	106	52%	0.517	52%	0.518	S	S	.	.	H	α-helix	trans	-70.4	-38.1	178.3	-61.4	174.7	173.7	169.5	-3.2	112.6	D57 R61 Q62 L63	D57-R59 PolarHBondContact O-N 3.29Å; D57-R59 VanDerWaalsContact OD1-CB 3.25Å; D57-R59 WeakPolarHBondContact OD1-CB 3.42Å; D57-R59 WeakPolarHBondContact OD1-CG 3.44Å; D57-R59 PolarHBondContact OD1-N 3.05Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.49Å; R59-Q62 PolarHBondContact O-N 3.13Å; R59-L63 PolarHBondContact O-N 2.79Å
60	S	62.9	Low	64.1	Low	27 Å²	27	106 Å²	106	19%	0.189	52%	0.517	C	S	.	.	H	α-helix	trans	-68.3	-34.6	177.3	80.3	0	0	0	0	111.9	C54 D57 L63 R64	C54-S60 WeakPolarHBondContact O-CB 3.24Å; C54-S60 PolarHBondContact O-OG 3.09Å; D57-S60 PolarHBondContact O-N 3.42Å; D57-S60 PolarHBondContact O-OG 3.43Å; S60-L63 PolarHBondContact O-N 2.94Å; S60-R64 PolarHBondContact O-N 3.36Å
61	R	69.3	Low	65.4	Low	149 Å²	149	107.5 Å²	107.5	56%	0.562	51%	0.511	S	S	*	.	H	α-helix	trans	-66	-43.1	173	-66.6	-178.7	-178.2	-177.4	-0.4	111.2	D57 P58 R59 R64 Q65	D57-R61 PolarHBondContact O-N 3.4Å; P58-R61 PolarHBondContact O-N 3.31Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.49Å; R61-R64 PolarHBondContact O-N 3.44Å; R61-Q65 WeakPolarHBondContact O-CG 3.43Å; R61-Q65 PolarHBondContact O-N 3.3Å
62	Q	73.8	Confident	67	Low	82 Å²	82	103.5 Å²	103.5	38%	0.383	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-42.3	176.1	-173.1	175.5	-7.1	0	0	112	P58 R59 Q65 L66 I164	P58-Q62 PolarHBondContact O-N 3.04Å; P58-Q62 VanDerWaalsContact O-N 3.07Å; R59-Q62 PolarHBondContact O-N 3.13Å; Q62-Q65 PolarHBondContact O-N 3.45Å; Q62-L66 HydrophobicContact CG-CD1 4.47Å; Q62-L66 WeakPolarHBondContact O-CG 3.45Å; Q62-L66 PolarHBondContact O-N 3.49Å; Q62-I164 HydrophobicContact CG-CD1 4.38Å
63	L	68.9	Low	68.5	Low	73 Å²	73	98.8 Å²	98.8	38%	0.382	47%	0.47	S	S	.	.	H	α-helix	trans	-64.5	-41.4	174.8	-81.7	161.7	0	0	0	112.9	R59 S60 Q65 L66 M67	R59-L63 PolarHBondContact O-N 2.79Å; S60-L63 PolarHBondContact O-N 2.94Å; L63-Q65 PolarHBondContact O-N 3.46Å; L63-L66 WeakPolarHBondContact O-CB 3.43Å; L63-L66 PolarHBondContact O-N 3.26Å; L63-M67 WeakPolarHBondContact O-CG 3.32Å; L63-M67 PolarHBondContact O-N 3.16Å
64	R	70.9	Confident	69.8	Low	145 Å²	145	95.3 Å²	95.3	55%	0.547	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-43.9	173.7	-81.9	-173.2	-177.8	162.5	10.2	112.2	N55 S60 R61 L66 M67 E68	N55-R64 PolarHBondContact OD1-NH2 3.38Å; S60-R64 PolarHBondContact O-N 3.36Å; R61-R64 PolarHBondContact O-N 3.44Å; R64-L66 VanDerWaalsContact C-N 3.3Å; R64-L66 PolarHBondContact O-N 3.44Å; R64-M67 PolarHBondContact O-N 3.2Å; R64-E68 WeakPolarHBondContact O-CG 3.4Å; R64-E68 PolarHBondContact O-N 2.94Å
65	Q	78.4	Confident	71.1	Confident	119 Å²	119	95.5 Å²	95.5	56%	0.556	45%	0.451	S	S	*	.	H	α-helix	trans	-63	-37	176.2	-72.5	176.9	-8.4	0	0	112.3	R61 Q62 L63 K69	R61-Q65 WeakPolarHBondContact O-CG 3.43Å; R61-Q65 PolarHBondContact O-N 3.3Å; Q62-Q65 PolarHBondContact O-N 3.45Å; L63-Q65 PolarHBondContact O-N 3.46Å; Q65-K69 WeakPolarHBondContact O-CG 3.36Å; Q65-K69 PolarHBondContact O-N 2.9Å; Q65-K69 VanDerWaalsContact O-N 3.1Å
66	L	77.3	Confident	72.6	Confident	15 Å²	15	94.4 Å²	94.4	8%	0.079	45%	0.448	C	S	.	.	H	α-helix	trans	-64.6	-45.2	173.3	-75	164.4	0	0	0	111.4	Q62 L63 R64 E68 K69 V70 L157 V160 I164	Q62-L66 HydrophobicContact CG-CD1 4.47Å; Q62-L66 WeakPolarHBondContact O-CG 3.45Å; Q62-L66 PolarHBondContact O-N 3.49Å; L63-L66 WeakPolarHBondContact O-CB 3.43Å; L63-L66 PolarHBondContact O-N 3.26Å; R64-L66 VanDerWaalsContact C-N 3.3Å; R64-L66 PolarHBondContact O-N 3.44Å; L66-E68 PolarHBondContact O-N 3.08Å; L66-K69 PolarHBondContact O-N 3.47Å; L66-V70 WeakPolarHBondContact O-CG2 3.39Å; L66-V70 PolarHBondContact O-N 3.07Å; L66-L157 HydrophobicContact CD2-CD2 3.36Å; L66-V160 HydrophobicContact CD1-CG1 4.05Å; L66-V160 HydrophobicContact CD2-CB 4.36Å; L66-V160 HydrophobicContact CD2-CG1 4.01Å; L66-I164 HydrophobicContact CD1-CD1 3.49Å; L66-I164 VanDerWaalsContact CD1-CD1 3.49Å
67	M	70.6	Confident	73.7	Confident	136 Å²	136	89.7 Å²	89.7	67%	0.67	44%	0.437	S	S	*	.	H	α-helix	trans	-60.6	-44.2	176.9	-73.6	-178.7	65.5	0	0	112.3	L63 R64 K69 V70 Q71	L63-M67 WeakPolarHBondContact O-CG 3.32Å; L63-M67 PolarHBondContact O-N 3.16Å; R64-M67 PolarHBondContact O-N 3.2Å; M67-K69 VanDerWaalsContact C-N 3.34Å; M67-K69 PolarHBondContact O-N 3.47Å; M67-V70 PolarHBondContact O-N 2.98Å; M67-Q71 WeakPolarHBondContact O-CB 3.25Å; M67-Q71 PolarHBondContact O-N 3.17Å
68	E	77.6	Confident	74.6	Confident	122 Å²	122	92.6 Å²	92.6	57%	0.57	45%	0.448	S	S	*	.	H	α-helix	trans	-61.4	-41.5	176	-74.3	174.8	-177.6	0	0	111.8	R64 L66 Q71 N72	R64-E68 WeakPolarHBondContact O-CG 3.4Å; R64-E68 PolarHBondContact O-N 2.94Å; L66-E68 PolarHBondContact O-N 3.08Å; E68-Q71 PolarHBondContact O-N 3.36Å; E68-N72 WeakPolarHBondContact O-CB 3.3Å; E68-N72 PolarHBondContact O-N 3.08Å; E68-N72 PolarHBondContact O-ND2 3.18Å
69	K	79.2	Confident	75.6	Confident	125 Å²	125	91.8 Å²	91.8	54%	0.543	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-44.5	175	-76.6	-179.9	179	-179.2	0	112.3	Q65 L66 M67 Q71 N72 I73 L157	Q65-K69 WeakPolarHBondContact O-CG 3.36Å; Q65-K69 PolarHBondContact O-N 2.9Å; Q65-K69 VanDerWaalsContact O-N 3.1Å; L66-K69 PolarHBondContact O-N 3.47Å; M67-K69 VanDerWaalsContact C-N 3.34Å; M67-K69 PolarHBondContact O-N 3.47Å; K69-Q71 VanDerWaalsContact C-N 3.32Å; K69-Q71 PolarHBondContact O-N 3.3Å; K69-N72 PolarHBondContact O-N 3.35Å; K69-I73 WeakPolarHBondContact O-CG1 3.39Å; K69-I73 PolarHBondContact O-N 3.24Å; K69-L157 HydrophobicContact CB-CD1 4.32Å; K69-L157 HydrophobicContact CB-CD2 4.06Å; K69-L157 HydrophobicContact CD-CD2 4.04Å
70	V	75.6	Confident	76.6	Confident	73 Å²	73	85.7 Å²	85.7	44%	0.442	42%	0.419	S	S	.	.	H	α-helix	trans	-61.3	-43	176.5	171.2	0	0	0	0	110.7	L66 M67 I73 S74 L157	L66-V70 WeakPolarHBondContact O-CG2 3.39Å; L66-V70 PolarHBondContact O-N 3.07Å; M67-V70 PolarHBondContact O-N 2.98Å; V70-I73 PolarHBondContact O-N 3.42Å; V70-S74 WeakPolarHBondContact O-CB 3.48Å; V70-S74 PolarHBondContact O-N 3.27Å; V70-L157 HydrophobicContact CG2-CD1 4.02Å
71	Q	74.6	Confident	77.4	Confident	102 Å²	102	89.7 Å²	89.7	48%	0.477	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-45.3	177.3	-173.5	63.1	25.5	0	0	111.9	M67 E68 K69 I73 S74 Q75	M67-Q71 WeakPolarHBondContact O-CB 3.25Å; M67-Q71 PolarHBondContact O-N 3.17Å; E68-Q71 PolarHBondContact O-N 3.36Å; K69-Q71 VanDerWaalsContact C-N 3.32Å; K69-Q71 PolarHBondContact O-N 3.3Å; Q71-I73 PolarHBondContact O-N 3.37Å; Q71-S74 PolarHBondContact O-N 2.93Å; Q71-Q75 WeakPolarHBondContact O-CG 3.38Å; Q71-Q75 PolarHBondContact O-N 2.95Å
72	N	80.7	Confident	78.1	Confident	94 Å²	94	88.1 Å²	88.1	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-40.4	178.2	-71.3	-17.3	0	0	0	112.4	E68 K69 S76	E68-N72 WeakPolarHBondContact O-CB 3.3Å; E68-N72 PolarHBondContact O-N 3.08Å; E68-N72 PolarHBondContact O-ND2 3.18Å; K69-N72 PolarHBondContact O-N 3.35Å; N72-S76 WeakPolarHBondContact O-CB 3.32Å; N72-S76 PolarHBondContact O-N 3.03Å; N72-S76 PolarHBondContact O-OG 2.99Å
73	I	80.6	Confident	78.6	Confident	14 Å²	14	88.4 Å²	88.4	7%	0.072	44%	0.438	C	S	.	.	H	α-helix	trans	-65.4	-45.3	175.2	-69.8	169.1	0	0	0	110.3	K69 V70 Q71 Q75 S76 M77 L150 E153 V154 L157	K69-I73 WeakPolarHBondContact O-CG1 3.39Å; K69-I73 PolarHBondContact O-N 3.24Å; V70-I73 PolarHBondContact O-N 3.42Å; Q71-I73 PolarHBondContact O-N 3.37Å; I73-Q75 PolarHBondContact O-N 2.92Å; I73-S76 PolarHBondContact O-N 3.42Å; I73-M77 WeakPolarHBondContact O-CB 3.42Å; I73-M77 PolarHBondContact O-N 3.38Å; I73-L150 HydrophobicContact CG1-CD2 4.12Å; I73-L150 HydrophobicContact CG2-CD2 4.27Å; I73-E153 HydrophobicContact CD1-CB 3.86Å; I73-V154 HydrophobicContact CD1-CG2 4.3Å; I73-V154 HydrophobicContact CG2-CG2 3.89Å; I73-L157 HydrophobicContact CD1-CD1 3.43Å; I73-L157 VanDerWaalsContact CD1-CD1 3.43Å
74	S	74.8	Confident	79.2	Confident	60 Å²	60	86.2 Å²	86.2	42%	0.42	43%	0.428	S	S	.	.	H	α-helix	trans	-59.4	-47.3	179.2	-170.1	0	0	0	0	111.7	V70 Q71 M77 E78	V70-S74 WeakPolarHBondContact O-CB 3.48Å; V70-S74 PolarHBondContact O-N 3.27Å; Q71-S74 PolarHBondContact O-N 2.93Å; S74-M77 PolarHBondContact O-N 2.74Å; S74-E78 PolarHBondContact O-N 3.05Å
75	Q	80.1	Confident	79.7	Confident	95 Å²	95	85.5 Å²	85.5	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-41.2	176.7	-72.7	176.6	-13.8	0	0	111.9	Q71 I73 M77 E78 V79	Q71-Q75 WeakPolarHBondContact O-CG 3.38Å; Q71-Q75 PolarHBondContact O-N 2.95Å; I73-Q75 PolarHBondContact O-N 2.92Å; Q75-M77 VanDerWaalsContact C-N 3.3Å; Q75-M77 PolarHBondContact O-N 3.1Å; Q75-E78 PolarHBondContact O-N 3.07Å; Q75-V79 WeakPolarHBondContact O-CG2 3.5Å; Q75-V79 PolarHBondContact O-N 3.35Å; Q75-V79 VanDerWaalsContact O-N 3.1Å
76	S	84.1	Confident	80.1	Confident	41 Å²	41	87.7 Å²	87.7	29%	0.287	43%	0.432	S	S	.	.	H	α-helix	trans	-62.5	-39	176.3	-61.4	0	0	0	0	111.9	N72 I73 L80	N72-S76 WeakPolarHBondContact O-CB 3.32Å; N72-S76 PolarHBondContact O-N 3.03Å; N72-S76 PolarHBondContact O-OG 2.99Å; I73-S76 PolarHBondContact O-N 3.42Å; S76-L80 WeakPolarHBondContact O-CB 3.45Å; S76-L80 WeakPolarHBondContact O-CD1 3.42Å; S76-L80 VanDerWaalsContact O-CG 3.28Å; S76-L80 WeakPolarHBondContact O-CG 3.49Å; S76-L80 PolarHBondContact O-N 3.39Å
77	M	78.4	Confident	80.5	Confident	116 Å²	116	87.3 Å²	87.3	57%	0.571	43%	0.43	S	S	*	.	H	α-helix	trans	-69.9	-39.1	179.1	-164.2	166.7	68.9	0	0	112	I73 S74 Q75 L80 D81	I73-M77 WeakPolarHBondContact O-CB 3.42Å; I73-M77 PolarHBondContact O-N 3.38Å; S74-M77 PolarHBondContact O-N 2.74Å; Q75-M77 VanDerWaalsContact C-N 3.3Å; Q75-M77 PolarHBondContact O-N 3.1Å; M77-L80 PolarHBondContact O-N 2.94Å; M77-D81 WeakPolarHBondContact O-CB 3.36Å; M77-D81 PolarHBondContact O-N 3.35Å
78	E	79.1	Confident	81.1	Confident	123 Å²	123	85.1 Å²	85.1	58%	0.575	42%	0.42	S	S	*	.	H	α-helix	trans	-63.9	-43.8	175.3	-172.7	176.7	-168.2	0	0	111.9	S74 Q75 L80 D81 L82	S74-E78 PolarHBondContact O-N 3.05Å; Q75-E78 PolarHBondContact O-N 3.07Å; E78-L80 PolarHBondContact O-N 2.89Å; E78-D81 PolarHBondContact O-N 3.35Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.47Å; E78-L82 VanDerWaalsContact O-N 3.08Å
79	V	86.5	Confident	81.5	Confident	80 Å²	80	83 Å²	83	49%	0.485	41%	0.41	S	S	.	.	H	α-helix	trans	-64	-41.4	175.5	172.9	0	0	0	0	111.4	Q75 R83	Q75-V79 WeakPolarHBondContact O-CG2 3.5Å; Q75-V79 PolarHBondContact O-N 3.35Å; Q75-V79 VanDerWaalsContact O-N 3.1Å; V79-R83 WeakPolarHBondContact O-CB 3.45Å; V79-R83 PolarHBondContact O-N 2.93Å; V79-R83 VanDerWaalsContact O-N 3.14Å
80	L	85.3	Confident	81.9	Confident	8 Å²	8	81.1 Å²	81.1	4%	0.042	40%	0.401	C	S	.	.	H	α-helix	trans	-64.1	-42.3	176.3	-80.2	165.3	0	0	0	111.9	S76 M77 E78 R83 T84 D143 M146 I147 L150	S76-L80 WeakPolarHBondContact O-CB 3.45Å; S76-L80 WeakPolarHBondContact O-CD1 3.42Å; S76-L80 VanDerWaalsContact O-CG 3.28Å; S76-L80 WeakPolarHBondContact O-CG 3.49Å; S76-L80 PolarHBondContact O-N 3.39Å; M77-L80 PolarHBondContact O-N 2.94Å; E78-L80 PolarHBondContact O-N 2.89Å; L80-R83 PolarHBondContact O-N 3.34Å; L80-T84 VanDerWaalsContact O-CB 3.24Å; L80-T84 WeakPolarHBondContact O-CB 3.45Å; L80-T84 PolarHBondContact O-N 3.05Å; L80-T84 PolarHBondContact O-OG1 2.9Å; L80-D143 HydrophobicContact CD2-CB 3.75Å; L80-M146 HydrophobicContact CD1-CB 4.5Å; L80-M146 HydrophobicContact CD1-CE 4.23Å; L80-M146 HydrophobicContact CD1-CG 4Å; L80-M146 HydrophobicContact CD1-SD 4.04Å; L80-M146 HydrophobicContact CD2-SD 4.15Å; L80-M146 HydrophobicContact CG-SD 4.4Å; L80-I147 HydrophobicContact CD1-CG1 4.38Å; L80-L150 HydrophobicContact CD1-CD1 3.54Å
81	D	79.9	Confident	82.4	Confident	112 Å²	112	79.9 Å²	79.9	60%	0.599	39%	0.393	S	S	*	.	H	α-helix	trans	-63.4	-49.6	-179.8	-172.2	53.1	0	0	0	111.4	M77 E78 R83 T84 F85	M77-D81 WeakPolarHBondContact O-CB 3.36Å; M77-D81 PolarHBondContact O-N 3.35Å; E78-D81 PolarHBondContact O-N 3.35Å; D81-R83 VanDerWaalsContact C-N 3.33Å; D81-R83 PolarHBondContact O-N 3.48Å; D81-T84 PolarHBondContact O-N 3.45Å; D81-F85 VanDerWaalsContact O-CB 3.32Å; D81-F85 WeakPolarHBondContact O-CB 3.29Å; D81-F85 PolarHBondContact O-N 3.42Å
82	L	83.9	Confident	83	Confident	115 Å²	115	81.6 Å²	81.6	60%	0.602	40%	0.399	S	S	*	.	H	α-helix	trans	-58.9	-43	177.1	-71.4	172.4	0	0	0	112.4	E78 R86	E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.47Å; E78-L82 VanDerWaalsContact O-N 3.08Å; L82-R86 PolarHBondContact O-N 2.92Å; L82-R86 VanDerWaalsContact O-N 3.17Å
83	R	83.3	Confident	83.3	Confident	88 Å²	88	83 Å²	83	33%	0.332	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-48.6	178.3	-174.8	-175.1	-60.5	162.3	2.8	111.5	V79 L80 D81 F85 R86 D87 Q139 D143	V79-R83 WeakPolarHBondContact O-CB 3.45Å; V79-R83 PolarHBondContact O-N 2.93Å; V79-R83 VanDerWaalsContact O-N 3.14Å; L80-R83 PolarHBondContact O-N 3.34Å; D81-R83 VanDerWaalsContact C-N 3.33Å; D81-R83 PolarHBondContact O-N 3.48Å; R83-F85 VanDerWaalsContact C-N 3.29Å; R83-F85 PolarHBondContact O-N 3.43Å; R83-R86 WeakPolarHBondContact O-CB 3.29Å; R83-R86 PolarHBondContact O-N 3.27Å; R83-R86 VanDerWaalsContact O-N 3.17Å; R83-D87 WeakPolarHBondContact O-CB 3.41Å; R83-D87 VanDerWaalsContact O-CG 3.31Å; R83-D87 PolarHBondContact O-N 3.17Å; R83-Q139 VanDerWaalsContact NH1-NE2 3.15Å; R83-D143 WeakPolarHBondContact CD-OD2 3.36Å; R83-D143 IonicContact NH1-OD1 3.2Å; R83-D143 PolarHBondContact NH1-OD1 3.38Å; R83-D143 IonicContact NH1-OD2 2.96Å
84	T	82.8	Confident	83.6	Confident	27 Å²	27	83.1 Å²	83.1	17%	0.166	41%	0.408	C	S	.	.	H	α-helix	trans	-60.4	-42	180	-57	0	0	0	0	110.8	L80 D81 D87 L88 Y140	L80-T84 VanDerWaalsContact O-CB 3.24Å; L80-T84 WeakPolarHBondContact O-CB 3.45Å; L80-T84 PolarHBondContact O-N 3.05Å; L80-T84 PolarHBondContact O-OG1 2.9Å; D81-T84 PolarHBondContact O-N 3.45Å; T84-D87 PolarHBondContact O-N 3.36Å; T84-L88 HydrophobicContact CG2-CD1 3.91Å; T84-L88 HydrophobicContact CG2-CG 4.29Å; T84-L88 VanDerWaalsContact O-CB 3.31Å; T84-L88 WeakPolarHBondContact O-CB 3.31Å; T84-L88 VanDerWaalsContact O-CG 3.3Å; T84-L88 WeakPolarHBondContact O-CG 3.47Å; T84-L88 PolarHBondContact O-N 3.08Å; T84-Y140 HydrophobicContact CG2-CE2 4.13Å
85	F	81.4	Confident	84.2	Confident	131 Å²	131	84.5 Å²	84.5	58%	0.575	41%	0.408	S	S	*	.	H	α-helix	trans	-58.7	-48.9	175.2	-178.6	-95.8	0	0	0	111.7	D81 R83 Q89	D81-F85 VanDerWaalsContact O-CB 3.32Å; D81-F85 WeakPolarHBondContact O-CB 3.29Å; D81-F85 PolarHBondContact O-N 3.42Å; R83-F85 VanDerWaalsContact C-N 3.29Å; R83-F85 PolarHBondContact O-N 3.43Å; F85-Q89 HydrophobicContact CD1-CG 4.49Å; F85-Q89 HydrophobicContact CE1-CG 4.17Å; F85-Q89 HydrophobicContact CZ-CG 4.29Å; F85-Q89 VanDerWaalsContact O-CG 3.29Å; F85-Q89 WeakPolarHBondContact O-CG 3.29Å; F85-Q89 PolarHBondContact O-N 2.93Å; F85-Q89 VanDerWaalsContact O-N 3.08Å
86	R	86.1	Confident	84.5	Confident	165 Å²	165	82.2 Å²	82.2	62%	0.623	41%	0.409	S	S	*	.	H	α-helix	trans	-61.5	-46	178.5	-170.7	-164	71.3	175.9	1.4	112	L82 R83 Q89 Y90	L82-R86 PolarHBondContact O-N 2.92Å; L82-R86 VanDerWaalsContact O-N 3.17Å; R83-R86 WeakPolarHBondContact O-CB 3.29Å; R83-R86 PolarHBondContact O-N 3.27Å; R83-R86 VanDerWaalsContact O-N 3.17Å; R86-Q89 PolarHBondContact O-N 3.39Å; R86-Y90 PolarHBondContact O-N 2.93Å
87	D	85.8	Confident	84.6	Confident	7 Å²	7	82 Å²	82	4%	0.037	41%	0.405	C	S	.	.	H	α-helix	trans	-70.6	-37	-175.4	-69.4	-4.5	0	0	0	111.2	R83 T84 Y90 V91 V136	R83-D87 WeakPolarHBondContact O-CB 3.41Å; R83-D87 VanDerWaalsContact O-CG 3.31Å; R83-D87 PolarHBondContact O-N 3.17Å; T84-D87 PolarHBondContact O-N 3.36Å; D87-Y90 WeakPolarHBondContact O-CB 3.48Å; D87-Y90 PolarHBondContact O-N 3.45Å; D87-V91 WeakPolarHBondContact O-CG2 3.46Å; D87-V91 PolarHBondContact O-N 3.36Å; D87-V136 HydrophobicContact CB-CG1 3.72Å
88	L	84.1	Confident	85	Confident	89 Å²	89	80.9 Å²	80.9	47%	0.466	40%	0.4	S	S	.	.	H	α-helix	trans	-64.3	-40	171.6	-77.2	173.6	0	0	0	112.6	T84 Y90 V91 K92	T84-L88 HydrophobicContact CG2-CD1 3.91Å; T84-L88 HydrophobicContact CG2-CG 4.29Å; T84-L88 VanDerWaalsContact O-CB 3.31Å; T84-L88 WeakPolarHBondContact O-CB 3.31Å; T84-L88 VanDerWaalsContact O-CG 3.3Å; T84-L88 WeakPolarHBondContact O-CG 3.47Å; T84-L88 PolarHBondContact O-N 3.08Å; L88-Y90 VanDerWaalsContact C-N 3.32Å; L88-V91 PolarHBondContact O-N 3.05Å; L88-K92 WeakPolarHBondContact O-CB 3.28Å; L88-K92 PolarHBondContact O-N 3.31Å
89	Q	85.7	Confident	85.5	Confident	77 Å²	77	81.4 Å²	81.4	36%	0.36	40%	0.4	S	S	.	.	H	α-helix	trans	-62.8	-40.9	174.2	-71.2	-65.3	-20.1	0	0	111.4	F85 R86 K92 N93	F85-Q89 HydrophobicContact CD1-CG 4.49Å; F85-Q89 HydrophobicContact CE1-CG 4.17Å; F85-Q89 HydrophobicContact CZ-CG 4.29Å; F85-Q89 VanDerWaalsContact O-CG 3.29Å; F85-Q89 WeakPolarHBondContact O-CG 3.29Å; F85-Q89 PolarHBondContact O-N 2.93Å; F85-Q89 VanDerWaalsContact O-N 3.08Å; R86-Q89 PolarHBondContact O-N 3.39Å; Q89-K92 PolarHBondContact O-N 2.96Å; Q89-N93 WeakPolarHBondContact O-CB 3.3Å; Q89-N93 PolarHBondContact O-N 3.33Å; Q89-N93 PolarHBondContact O-ND2 2.94Å
90	Y	87.1	Confident	85.4	Confident	86 Å²	86	80.5 Å²	80.5	34%	0.337	40%	0.395	S	S	.	.	H	α-helix	trans	-61.3	-49.3	175.8	-175.2	-102.1	0	0	0	111.8	R86 D87 L88 K92 N93 T94 L133 V136	R86-Y90 PolarHBondContact O-N 2.93Å; D87-Y90 WeakPolarHBondContact O-CB 3.48Å; D87-Y90 PolarHBondContact O-N 3.45Å; L88-Y90 VanDerWaalsContact C-N 3.32Å; Y90-K92 VanDerWaalsContact C-N 3.33Å; Y90-K92 PolarHBondContact O-N 3.04Å; Y90-N93 PolarHBondContact O-N 3.34Å; Y90-T94 HydrophobicContact CE1-CG2 4.19Å; Y90-T94 PolarHBondContact O-N 3.27Å; Y90-T94 VanDerWaalsContact O-N 3.08Å; Y90-T94 PolarHBondContact O-OG1 3.25Å; Y90-L133 HydrophobicContact CD1-CD2 3.64Å; Y90-L133 HydrophobicContact CE1-CD2 3.44Å; Y90-L133 VanDerWaalsContact CE1-CD2 3.44Å; Y90-L133 HydrophobicContact CE1-CG 3.96Å; Y90-V136 HydrophobicContact CD1-CG1 4.45Å; Y90-V136 HydrophobicContact CD1-CG2 3.99Å; Y90-V136 HydrophobicContact CE1-CG2 4.12Å
91	V	86.8	Confident	85.5	Confident	47 Å²	47	80.6 Å²	80.6	29%	0.285	40%	0.395	S	S	.	.	H	α-helix	trans	-58.5	-45.4	177.1	172.8	0	0	0	0	111.1	D87 L88 N93 T94 E95 L133 V136	D87-V91 WeakPolarHBondContact O-CG2 3.46Å; D87-V91 PolarHBondContact O-N 3.36Å; L88-V91 PolarHBondContact O-N 3.05Å; V91-N93 VanDerWaalsContact C-N 3.33Å; V91-N93 PolarHBondContact O-N 3.12Å; V91-T94 WeakPolarHBondContact CA-OG1 3.26Å; V91-T94 CarbonylContact O-C 3.6Å; V91-T94 PolarHBondContact O-N 3.14Å; V91-T94 VanDerWaalsContact O-N 3.11Å; V91-T94 PolarHBondContact O-OG1 3Å; V91-E95 PolarHBondContact O-N 2.99Å; V91-L133 HydrophobicContact CG2-CD2 4.14Å; V91-V136 HydrophobicContact CG2-CG1 4.26Å
92	K	87	Confident	85.9	Confident	138 Å²	138	79 Å²	79	60%	0.6	39%	0.387	S	S	*	.	H	α-helix	trans	-60.2	-41.2	178.1	-170.9	177.7	-178.5	-179.1	0	112.4	L88 Q89 Y90 T94 E95	L88-K92 WeakPolarHBondContact O-CB 3.28Å; L88-K92 PolarHBondContact O-N 3.31Å; Q89-K92 PolarHBondContact O-N 2.96Å; Y90-K92 VanDerWaalsContact C-N 3.33Å; Y90-K92 PolarHBondContact O-N 3.04Å; K92-T94 VanDerWaalsContact C-N 3.29Å; K92-T94 PolarHBondContact O-N 3.36Å; K92-E95 WeakPolarHBondContact O-CB 3.5Å; K92-E95 PolarHBondContact O-N 3.34Å
93	N	86.2	Confident	86	Confident	125 Å²	125	75 Å²	75	67%	0.668	37%	0.374	S	S	*	.	H	α-helix	trans	-67.4	-30.6	177	-68.7	-20.7	0	0	0	112.4	Q89 Y90 V91	Q89-N93 WeakPolarHBondContact O-CB 3.3Å; Q89-N93 PolarHBondContact O-N 3.33Å; Q89-N93 PolarHBondContact O-ND2 2.94Å; Y90-N93 PolarHBondContact O-N 3.34Å; V91-N93 VanDerWaalsContact C-N 3.33Å; V91-N93 PolarHBondContact O-N 3.12Å
94	T	87.4	Confident	86	Confident	16 Å²	16	74 Å²	74	10%	0.098	37%	0.372	C	S	.	.	H	α-helix	trans	-85.4	-11.2	177.3	56.9	0	0	0	0	114.9	Y90 V91 K92 G96 L97 M98 L133	Y90-T94 HydrophobicContact CE1-CG2 4.19Å; Y90-T94 PolarHBondContact O-N 3.27Å; Y90-T94 VanDerWaalsContact O-N 3.08Å; Y90-T94 PolarHBondContact O-OG1 3.25Å; V91-T94 WeakPolarHBondContact CA-OG1 3.26Å; V91-T94 CarbonylContact O-C 3.6Å; V91-T94 PolarHBondContact O-N 3.14Å; V91-T94 VanDerWaalsContact O-N 3.11Å; V91-T94 PolarHBondContact O-OG1 3Å; K92-T94 VanDerWaalsContact C-N 3.29Å; K92-T94 PolarHBondContact O-N 3.36Å; T94-G96 VanDerWaalsContact C-N 3.3Å; T94-G96 PolarHBondContact O-N 3.43Å; T94-L97 WeakPolarHBondContact O-CB 3.35Å; T94-L97 PolarHBondContact O-N 2.92Å; T94-M98 PolarHBondContact O-N 3.27Å; T94-L133 HydrophobicContact CG2-CD1 4.16Å; T94-L133 HydrophobicContact CG2-CD2 4.05Å; T94-L133 HydrophobicContact CG2-CG 4.25Å; T94-L133 VanDerWaalsContact OG1-CD2 3.25Å; T94-L133 WeakPolarHBondContact OG1-CD2 3.47Å
95	E	87.3	Confident	86	Confident	89 Å²	89	77 Å²	77	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-56.3	-41.6	-176.1	-171.3	-169.1	169	0	0	112.5	V91 K92 L97 M98 K99	V91-E95 PolarHBondContact O-N 2.99Å; K92-E95 WeakPolarHBondContact O-CB 3.5Å; K92-E95 PolarHBondContact O-N 3.34Å; E95-L97 VanDerWaalsContact C-N 3.32Å; E95-L97 PolarHBondContact O-N 3.28Å; E95-M98 PolarHBondContact O-N 2.93Å; E95-K99 WeakPolarHBondContact O-CG 3.36Å; E95-K99 PolarHBondContact O-N 3.27Å; E95-K99 WeakPolarHBondContact OE1-CE 3.34Å; E95-K99 IonicContact OE1-NZ 3.97Å; E95-K99 PolarHBondContact OE1-NZ 3.19Å
96	G	86.8	Confident	86.2	Confident	46 Å²	46	76.2 Å²	76.2	47%	0.474	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-39.1	177.7	0	0	0	0	0	112.6	T94 K99 V100	T94-G96 VanDerWaalsContact C-N 3.3Å; T94-G96 PolarHBondContact O-N 3.43Å; G96-K99 PolarHBondContact O-N 3.44Å; G96-V100 VanDerWaalsContact O-CG2 3.28Å; G96-V100 WeakPolarHBondContact O-CG2 3.4Å; G96-V100 PolarHBondContact O-N 3.37Å; G96-V100 VanDerWaalsContact O-N 3.12Å
97	L	86.6	Confident	86	Confident	38 Å²	38	72.4 Å²	72.4	20%	0.199	38%	0.377	C	S	.	.	H	α-helix	trans	-68.3	-41.8	177.4	-173.8	65.2	0	0	0	111.2	T94 E95 V100 V101 K126 Q129 L130	T94-L97 WeakPolarHBondContact O-CB 3.35Å; T94-L97 PolarHBondContact O-N 2.92Å; E95-L97 VanDerWaalsContact C-N 3.32Å; E95-L97 PolarHBondContact O-N 3.28Å; L97-V100 PolarHBondContact O-N 3.09Å; L97-V101 WeakPolarHBondContact O-CG2 3.47Å; L97-V101 PolarHBondContact O-N 3.15Å; L97-K126 HydrophobicContact CD1-CB 3.9Å; L97-K126 HydrophobicContact CD1-CD 3.88Å; L97-K126 HydrophobicContact CD1-CG 3.78Å; L97-Q129 HydrophobicContact CD2-CB 3.71Å; L97-L130 HydrophobicContact CB-CD2 4.14Å; L97-L130 HydrophobicContact CD2-CD2 3.71Å; L97-L130 HydrophobicContact CD2-CG 3.9Å; L97-L130 HydrophobicContact CG-CD2 3.93Å; L97-L130 HydrophobicContact CG-CG 4.14Å
98	M	86.4	Confident	85.7	Confident	92 Å²	92	73.1 Å²	73.1	45%	0.453	38%	0.384	S	S	.	.	H	α-helix	trans	-59.6	-46	174.7	-70	177.2	70.4	0	0	111.9	T94 E95 V100 V101 D102 L130 L133	T94-M98 PolarHBondContact O-N 3.27Å; E95-M98 PolarHBondContact O-N 2.93Å; M98-V100 VanDerWaalsContact C-N 3.33Å; M98-V100 PolarHBondContact O-N 3.01Å; M98-V101 PolarHBondContact O-N 3.49Å; M98-D102 WeakPolarHBondContact O-CB 3.21Å; M98-D102 PolarHBondContact O-N 3.29Å; M98-L130 HydrophobicContact CG-CD1 4.15Å; M98-L130 HydrophobicContact CG-CD2 3.57Å; M98-L133 HydrophobicContact CG-CD1 4.33Å; M98-L133 HydrophobicContact SD-CD1 4.06Å
99	K	88.4	Confident	85.6	Confident	133 Å²	133	73.7 Å²	73.7	58%	0.578	40%	0.396	S	S	*	.	H	α-helix	trans	-61.8	-39.7	177.7	-74.4	177.3	-177.8	169.6	0	112.5	E95 G96 G103	E95-K99 WeakPolarHBondContact O-CG 3.36Å; E95-K99 PolarHBondContact O-N 3.27Å; E95-K99 WeakPolarHBondContact OE1-CE 3.34Å; E95-K99 IonicContact OE1-NZ 3.97Å; E95-K99 PolarHBondContact OE1-NZ 3.19Å; G96-K99 PolarHBondContact O-N 3.44Å; K99-G103 PolarHBondContact O-N 3.31Å
100	V	86.1	Confident	85.5	Confident	62 Å²	62	77.9 Å²	77.9	38%	0.376	42%	0.415	S	S	.	.	H	α-helix	trans	-67.5	-42.1	177.7	169.8	0	0	0	0	111.4	G96 L97 M98 K104 K126	G96-V100 VanDerWaalsContact O-CG2 3.28Å; G96-V100 WeakPolarHBondContact O-CG2 3.4Å; G96-V100 PolarHBondContact O-N 3.37Å; G96-V100 VanDerWaalsContact O-N 3.12Å; L97-V100 PolarHBondContact O-N 3.09Å; M98-V100 VanDerWaalsContact C-N 3.33Å; M98-V100 PolarHBondContact O-N 3.01Å; V100-K104 WeakPolarHBondContact O-CG 3.43Å; V100-K104 PolarHBondContact O-N 3.09Å; V100-K104 VanDerWaalsContact O-N 3.13Å; V100-K126 HydrophobicContact CG1-CD 4.16Å
101	V	87.1	Confident	85.2	Confident	10 Å²	10	77.8 Å²	77.8	6%	0.061	42%	0.421	C	S	.	.	H	α-helix	trans	-66	-46.2	176.1	172.3	0	0	0	0	110.9	L97 M98 G103 K104 L105 K126 V127 L130	L97-V101 WeakPolarHBondContact O-CG2 3.47Å; L97-V101 PolarHBondContact O-N 3.15Å; M98-V101 PolarHBondContact O-N 3.49Å; V101-G103 PolarHBondContact O-N 2.72Å; V101-K104 PolarHBondContact O-N 2.78Å; V101-L105 HydrophobicContact CG1-CD1 3.74Å; V101-L105 HydrophobicContact CG1-CG 4.33Å; V101-L105 WeakPolarHBondContact O-CB 3.48Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 3.1Å; V101-K126 HydrophobicContact CG2-CB 3.52Å; V101-K126 HydrophobicContact CG2-CD 4.42Å; V101-V127 HydrophobicContact CG1-CG2 3.77Å; V101-L130 HydrophobicContact CB-CD1 4.16Å; V101-L130 HydrophobicContact CG1-CD1 4.38Å; V101-L130 HydrophobicContact CG2-CD1 3.91Å
102	D	86.9	Confident	84.5	Confident	77 Å²	77	80.9 Å²	80.9	41%	0.412	44%	0.442	S	S	.	.	H	α-helix	trans	-59.2	-47.4	177.3	-178.8	63.6	0	0	0	112.1	M98 K104 L105 K106	M98-D102 WeakPolarHBondContact O-CB 3.21Å; M98-D102 PolarHBondContact O-N 3.29Å; D102-K104 PolarHBondContact O-N 2.84Å; D102-L105 PolarHBondContact O-N 3.41Å; D102-K106 PolarHBondContact O-N 2.98Å; D102-K106 IonicContact OD1-NZ 2.74Å; D102-K106 WeakPolarHBondContact OD2-CE 3.23Å; D102-K106 IonicContact OD2-NZ 3.68Å; D102-K106 PolarHBondContact OD2-NZ 3.48Å
103	G	86.6	Confident	83.7	Confident	32 Å²	32	85.6 Å²	85.6	33%	0.33	46%	0.456	S	S	.	.	H	α-helix	trans	-61.1	-43.4	177.8	0	0	0	0	0	112.8	K99 V101 K106 V107	K99-G103 PolarHBondContact O-N 3.31Å; V101-G103 PolarHBondContact O-N 2.72Å; G103-K106 PolarHBondContact O-N 3.02Å; G103-V107 WeakPolarHBondContact O-CG2 3.46Å; G103-V107 PolarHBondContact O-N 2.91Å; G103-V107 VanDerWaalsContact O-N 3.17Å
104	K	82.8	Confident	83	Confident	68 Å²	68	82.2 Å²	82.2	30%	0.296	44%	0.442	S	S	.	.	H	α-helix	trans	-66.4	-38.1	176.8	-75.8	-169.8	172.8	-165.1	0	112.3	V100 V101 D102 A108 E122 V123	V100-K104 WeakPolarHBondContact O-CG 3.43Å; V100-K104 PolarHBondContact O-N 3.09Å; V100-K104 VanDerWaalsContact O-N 3.13Å; V101-K104 PolarHBondContact O-N 2.78Å; D102-K104 PolarHBondContact O-N 2.84Å; K104-A108 WeakPolarHBondContact O-CB 3.47Å; K104-A108 PolarHBondContact O-N 3.35Å; K104-E122 IonicContact NZ-OE1 3.42Å; K104-E122 PolarHBondContact NZ-OE1 3.31Å; K104-E122 IonicContact NZ-OE2 3.68Å; K104-E122 PolarHBondContact NZ-OE2 2.58Å; K104-V123 HydrophobicContact CB-CG2 4.06Å; K104-V123 HydrophobicContact CD-CG2 3.94Å
105	L	82.8	Confident	82.4	Confident	89 Å²	89	84.4 Å²	84.4	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-69.3	-36.7	176.9	-72.6	172.3	0	0	0	112.5	V101 D102 A108 S109 V123	V101-L105 HydrophobicContact CG1-CD1 3.74Å; V101-L105 HydrophobicContact CG1-CG 4.33Å; V101-L105 WeakPolarHBondContact O-CB 3.48Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 3.1Å; D102-L105 PolarHBondContact O-N 3.41Å; L105-A108 VanDerWaalsContact O-CB 3.29Å; L105-A108 WeakPolarHBondContact O-CB 3.34Å; L105-A108 PolarHBondContact O-N 3.26Å; L105-S109 WeakPolarHBondContact O-CB 3.5Å; L105-S109 PolarHBondContact O-N 3.22Å; L105-V123 HydrophobicContact CD2-CG1 4.13Å
106	K	85.7	Confident	82	Confident	115 Å²	115	84.8 Å²	84.8	50%	0.5	46%	0.458	S	S	.	.	H	α-helix	trans	-63.5	-47.5	174.3	-79.5	175	177.1	155	0	112.2	D102 G103 A108 S109 E110	D102-K106 PolarHBondContact O-N 2.98Å; D102-K106 IonicContact OD1-NZ 2.74Å; D102-K106 WeakPolarHBondContact OD2-CE 3.23Å; D102-K106 IonicContact OD2-NZ 3.68Å; D102-K106 PolarHBondContact OD2-NZ 3.48Å; G103-K106 PolarHBondContact O-N 3.02Å; K106-A108 VanDerWaalsContact C-N 3.27Å; K106-A108 PolarHBondContact O-N 3.5Å; K106-S109 WeakPolarHBondContact O-CB 3.48Å; K106-S109 PolarHBondContact O-N 2.95Å; K106-S109 VanDerWaalsContact O-N 3.08Å; K106-E110 WeakPolarHBondContact O-CG 3.48Å; K106-E110 PolarHBondContact O-N 3.48Å
107	V	83.5	Confident	81.7	Confident	84 Å²	84	88.3 Å²	88.3	51%	0.509	47%	0.472	S	S	.	.	H	α-helix	trans	-61.1	-38.4	176.1	174.5	0	0	0	0	111.2	G103 N111	G103-V107 WeakPolarHBondContact O-CG2 3.46Å; G103-V107 PolarHBondContact O-N 2.91Å; G103-V107 VanDerWaalsContact O-N 3.17Å; V107-N111 PolarHBondContact O-N 2.93Å
108	A	79.5	Confident	81.4	Confident	23 Å²	23	95 Å²	95	19%	0.19	50%	0.499	C	S	.	.	H	α-helix	trans	-60.2	-43.4	172.4	0	0	0	0	0	113.2	K104 L105 K106 N111 L115	K104-A108 WeakPolarHBondContact O-CB 3.47Å; K104-A108 PolarHBondContact O-N 3.35Å; L105-A108 VanDerWaalsContact O-CB 3.29Å; L105-A108 WeakPolarHBondContact O-CB 3.34Å; L105-A108 PolarHBondContact O-N 3.26Å; K106-A108 VanDerWaalsContact C-N 3.27Å; K106-A108 PolarHBondContact O-N 3.5Å; A108-N111 CarbonylContact O-C 3.34Å; A108-L115 HydrophobicContact CB-CD1 3.08Å
109	S	80.3	Confident	81.1	Confident	101 Å²	101	91.1 Å²	91.1	71%	0.706	48%	0.483	S	S	*	.	H	α-helix	trans	-68.4	-36.4	-177.4	-173	0	0	0	0	111.9	L105 K106	L105-S109 WeakPolarHBondContact O-CB 3.5Å; L105-S109 PolarHBondContact O-N 3.22Å; K106-S109 WeakPolarHBondContact O-CB 3.48Å; K106-S109 PolarHBondContact O-N 2.95Å; K106-S109 VanDerWaalsContact O-N 3.08Å
110	E	83.8	Confident	80.7	Confident	164 Å²	164	91.3 Å²	91.3	77%	0.766	48%	0.484	S	S	*	.	H	α-helix	trans	-81.5	-31	-179.5	-69.6	174.2	-178.5	0	0	112.4	K106	K106-E110 WeakPolarHBondContact O-CG 3.48Å; K106-E110 PolarHBondContact O-N 3.48Å
111	N	81.7	Confident	80.6	Confident	84 Å²	84	92.6 Å²	92.6	45%	0.449	49%	0.486	S	S	.	.			trans	-136.2	96.1	176.1	-175.6	-2.3	0	0	0	111.8	V107 A108 R113 S114	V107-N111 PolarHBondContact O-N 2.93Å; A108-N111 CarbonylContact O-C 3.34Å; N111-R113 PolarHBondContact O-N 3.31Å; N111-R113 PolarHBondContact OD1-N 2.98Å; N111-S114 VanDerWaalsContact O-CB 3.24Å; N111-S114 WeakPolarHBondContact O-CB 3.39Å; N111-S114 PolarHBondContact O-N 3.26Å; N111-S114 PolarHBondContact O-OG 3.49Å
112	P	70.9	Confident	80.5	Confident	113 Å²	113	95.7 Å²	95.7	73%	0.734	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.3	-176.8	-25.1	34.2	0	0	0	115.2
113	R	71.3	Confident	80.3	Confident	237 Å²	237	92.7 Å²	92.7	89%	0.894	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.9	177.9	-64.6	-175.6	-178.5	176.8	1.4	113.7	N111	N111-R113 PolarHBondContact O-N 3.31Å; N111-R113 PolarHBondContact OD1-N 2.98Å
114	S	71.6	Confident	80.2	Confident	54 Å²	54	96.2 Å²	96.2	38%	0.378	49%	0.491	S	S	.	.	S	Bend	trans	-76.5	-20.5	-176	65.2	0	0	0	0	114.4	N111	N111-S114 VanDerWaalsContact O-CB 3.24Å; N111-S114 WeakPolarHBondContact O-CB 3.39Å; N111-S114 PolarHBondContact O-N 3.26Å; N111-S114 PolarHBondContact O-OG 3.49Å
115	L	75.1	Confident	80.5	Confident	62 Å²	62	96.3 Å²	96.3	33%	0.325	50%	0.495	S	S	.	.			trans	-101.6	118	-178.2	-92.9	140.5	0	0	0	111.8	A108 G119 V123	A108-L115 HydrophobicContact CB-CD1 3.08Å; L115-G119 VanDerWaalsContact CD2-C 3.49Å; L115-V123 HydrophobicContact CD2-CG2 4.39Å
116	N	79.1	Confident	80.6	Confident	97 Å²	97	94.2 Å²	94.2	52%	0.519	48%	0.482	S	S	.	.			trans	-83.5	165.4	169.8	66.7	25.8	0	0	0	110.7	K118 G119 F120	N116-K118 PolarHBondContact O-N 2.95Å; N116-K118 VanDerWaalsContact O-N 3.15Å; N116-K118 PolarHBondContact OD1-N 2.9Å; N116-G119 PolarHBondContact O-N 3.37Å; N116-G119 PolarHBondContact OD1-N 3.48Å; N116-F120 PolarHBondContact O-N 3.47Å; N116-F120 VanDerWaalsContact O-N 3.09Å
117	P	79.8	Confident	80.7	Confident	119 Å²	119	91.5 Å²	91.5	77%	0.773	48%	0.475	S	S	*	.	H	α-helix	trans	-56.5	-32.4	-178.2	-27.9	35.5	0	0	0	114.6	Q121	P117-Q121 PolarHBondContact O-N 2.95Å
118	K	80	Confident	80.9	Confident	178 Å²	178	91.3 Å²	91.3	77%	0.774	47%	0.471	S	S	*	.	H	α-helix	trans	-68.8	-40.2	175.2	-76.2	-175.2	176.1	-179.5	0	112.3	N116 F120 Q121 E122	N116-K118 PolarHBondContact O-N 2.95Å; N116-K118 VanDerWaalsContact O-N 3.15Å; N116-K118 PolarHBondContact OD1-N 2.9Å; K118-F120 VanDerWaalsContact C-N 3.34Å; K118-Q121 PolarHBondContact O-N 2.9Å; K118-E122 PolarHBondContact O-N 3.3Å
119	G	80.3	Confident	81.2	Confident	11 Å²	11	95.6 Å²	95.6	11%	0.113	49%	0.487	C	S	.	.	H	α-helix	trans	-66.7	-35.3	176.4	0	0	0	0	0	112.4	L115 N116 E122 V123	L115-G119 VanDerWaalsContact CD2-C 3.49Å; N116-G119 PolarHBondContact O-N 3.37Å; N116-G119 PolarHBondContact OD1-N 3.48Å; G119-E122 PolarHBondContact O-N 3.38Å; G119-V123 WeakPolarHBondContact O-CG2 3.32Å; G119-V123 PolarHBondContact O-N 3.01Å
120	F	80.6	Confident	81.6	Confident	137 Å²	137	92.1 Å²	92.1	60%	0.601	46%	0.46	S	S	*	.	H	α-helix	trans	-63.9	-42.6	172.9	-168.9	-97.3	0	0	0	111.9	N116 K118 V123 K124	N116-F120 PolarHBondContact O-N 3.47Å; N116-F120 VanDerWaalsContact O-N 3.09Å; K118-F120 VanDerWaalsContact C-N 3.34Å; F120-V123 PolarHBondContact O-N 3.39Å; F120-K124 WeakPolarHBondContact O-CB 3.35Å; F120-K124 PolarHBondContact O-N 3.34Å
121	Q	83.9	Confident	81.8	Confident	89 Å²	89	88.7 Å²	88.7	42%	0.416	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175.2	-171.4	58.7	42.7	0	0	111.8	P117 K118 V123 K124 D125	P117-Q121 PolarHBondContact O-N 2.95Å; K118-Q121 PolarHBondContact O-N 2.9Å; Q121-V123 PolarHBondContact O-N 3.48Å; Q121-K124 WeakPolarHBondContact O-CB 3.4Å; Q121-K124 PolarHBondContact O-N 2.88Å; Q121-D125 PolarHBondContact NE2-OD1 3.24Å; Q121-D125 PolarHBondContact O-N 3.43Å
122	E	84.1	Confident	82.2	Confident	75 Å²	75	87.8 Å²	87.8	35%	0.35	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-40	176.9	-161.5	-158.4	144	0	0	112.6	K104 K118 G119 K126	K104-E122 IonicContact NZ-OE1 3.42Å; K104-E122 PolarHBondContact NZ-OE1 3.31Å; K104-E122 IonicContact NZ-OE2 3.68Å; K104-E122 PolarHBondContact NZ-OE2 2.58Å; K118-E122 PolarHBondContact O-N 3.3Å; G119-E122 PolarHBondContact O-N 3.38Å; E122-K126 WeakPolarHBondContact O-CG 3.45Å; E122-K126 PolarHBondContact O-N 3.47Å; E122-K126 VanDerWaalsContact O-N 3.11Å; E122-K126 VanDerWaalsContact OE1-CE 3.26Å; E122-K126 WeakPolarHBondContact OE1-CE 3.28Å; E122-K126 IonicContact OE1-NZ 2.75Å; E122-K126 PolarHBondContact OE1-NZ 2.69Å
123	V	83.8	Confident	82.9	Confident	14 Å²	14	82.9 Å²	82.9	9%	0.085	41%	0.413	C	S	.	.	H	α-helix	trans	-66.2	-43.4	175	172.1	0	0	0	0	110.4	K104 L105 L115 G119 F120 Q121 D125 K126 V127	K104-V123 HydrophobicContact CB-CG2 4.06Å; K104-V123 HydrophobicContact CD-CG2 3.94Å; L105-V123 HydrophobicContact CD2-CG1 4.13Å; L115-V123 HydrophobicContact CD2-CG2 4.39Å; G119-V123 WeakPolarHBondContact O-CG2 3.32Å; G119-V123 PolarHBondContact O-N 3.01Å; F120-V123 PolarHBondContact O-N 3.39Å; Q121-V123 PolarHBondContact O-N 3.48Å; V123-D125 VanDerWaalsContact C-N 3.34Å; V123-D125 PolarHBondContact O-N 2.78Å; V123-K126 PolarHBondContact O-N 3Å; V123-V127 HydrophobicContact CG1-CG2 4.21Å; V123-V127 WeakPolarHBondContact O-CB 3.39Å; V123-V127 VanDerWaalsContact O-CG2 3.26Å; V123-V127 WeakPolarHBondContact O-CG2 3.34Å; V123-V127 PolarHBondContact O-N 2.96Å
124	K	84.6	Confident	83.7	Confident	107 Å²	107	77 Å²	77	47%	0.465	40%	0.398	S	S	.	.	H	α-helix	trans	-58.7	-44.1	176.3	-177.4	179.8	176.7	-178.5	0	112	F120 Q121 V127 N128	F120-K124 WeakPolarHBondContact O-CB 3.35Å; F120-K124 PolarHBondContact O-N 3.34Å; Q121-K124 WeakPolarHBondContact O-CB 3.4Å; Q121-K124 PolarHBondContact O-N 2.88Å; K124-V127 PolarHBondContact O-N 3.49Å; K124-N128 WeakPolarHBondContact O-CB 3.38Å; K124-N128 VanDerWaalsContact O-CG 3.25Å; K124-N128 PolarHBondContact O-N 3.06Å; K124-N128 PolarHBondContact O-ND2 3.28Å
125	D	87.5	Confident	84.6	Confident	70 Å²	70	78.4 Å²	78.4	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-39.3	178.9	-65.5	-22.2	0	0	0	111.7	Q121 V123 N128 Q129	Q121-D125 PolarHBondContact NE2-OD1 3.24Å; Q121-D125 PolarHBondContact O-N 3.43Å; V123-D125 VanDerWaalsContact C-N 3.34Å; V123-D125 PolarHBondContact O-N 2.78Å; D125-N128 PolarHBondContact O-N 2.86Å; D125-Q129 WeakPolarHBondContact O-CG 3.38Å; D125-Q129 PolarHBondContact O-N 3.31Å; D125-Q129 VanDerWaalsContact O-N 3.12Å
126	K	85.6	Confident	85.2	Confident	45 Å²	45	76.6 Å²	76.6	20%	0.196	40%	0.398	C	S	.	.	H	α-helix	trans	-70.3	-35.3	175.3	-69.1	-175.9	-176.1	-179.9	0	112.9	L97 V100 V101 E122 V123 Q129 L130	L97-K126 HydrophobicContact CD1-CB 3.9Å; L97-K126 HydrophobicContact CD1-CD 3.88Å; L97-K126 HydrophobicContact CD1-CG 3.78Å; V100-K126 HydrophobicContact CG1-CD 4.16Å; V101-K126 HydrophobicContact CG2-CB 3.52Å; V101-K126 HydrophobicContact CG2-CD 4.42Å; E122-K126 WeakPolarHBondContact O-CG 3.45Å; E122-K126 PolarHBondContact O-N 3.47Å; E122-K126 VanDerWaalsContact O-N 3.11Å; E122-K126 VanDerWaalsContact OE1-CE 3.26Å; E122-K126 WeakPolarHBondContact OE1-CE 3.28Å; E122-K126 IonicContact OE1-NZ 2.75Å; E122-K126 PolarHBondContact OE1-NZ 2.69Å; V123-K126 PolarHBondContact O-N 3Å; K126-Q129 WeakPolarHBondContact O-CB 3.39Å; K126-Q129 PolarHBondContact O-N 3.02Å; K126-L130 WeakPolarHBondContact O-CG 3.36Å; K126-L130 PolarHBondContact O-N 2.98Å
127	V	87.1	Confident	85.5	Confident	58 Å²	58	76.2 Å²	76.2	35%	0.352	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-41.5	172.8	169.1	0	0	0	0	110.7	V101 V123 K124 Q129 L130 L131	V101-V127 HydrophobicContact CG1-CG2 3.77Å; V123-V127 HydrophobicContact CG1-CG2 4.21Å; V123-V127 WeakPolarHBondContact O-CB 3.39Å; V123-V127 VanDerWaalsContact O-CG2 3.26Å; V123-V127 WeakPolarHBondContact O-CG2 3.34Å; V123-V127 PolarHBondContact O-N 2.96Å; K124-V127 PolarHBondContact O-N 3.49Å; V127-Q129 VanDerWaalsContact C-N 3.26Å; V127-Q129 PolarHBondContact O-N 3.5Å; V127-L130 WeakPolarHBondContact O-CB 3.35Å; V127-L130 PolarHBondContact O-N 3.31Å; V127-L131 PolarHBondContact O-N 3.12Å
128	N	88.4	Confident	85.9	Confident	80 Å²	80	76.2 Å²	76.2	43%	0.428	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-35.6	174.9	-73.3	-26.5	0	0	0	112.4	K124 D125 L130 L131	K124-N128 WeakPolarHBondContact O-CB 3.38Å; K124-N128 VanDerWaalsContact O-CG 3.25Å; K124-N128 PolarHBondContact O-N 3.06Å; K124-N128 PolarHBondContact O-ND2 3.28Å; D125-N128 PolarHBondContact O-N 2.86Å; N128-L130 PolarHBondContact O-N 3.43Å; N128-L131 HydrophobicContact CB-CD1 4.49Å; N128-L131 PolarHBondContact O-N 3.48Å
129	Q	87.1	Confident	86.2	Confident	113 Å²	113	71.1 Å²	71.1	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-68.4	-20.3	174	-72.1	172.3	37.2	0	0	113.5	L97 D125 K126 V127 P132	L97-Q129 HydrophobicContact CD2-CB 3.71Å; D125-Q129 WeakPolarHBondContact O-CG 3.38Å; D125-Q129 PolarHBondContact O-N 3.31Å; D125-Q129 VanDerWaalsContact O-N 3.12Å; K126-Q129 WeakPolarHBondContact O-CB 3.39Å; K126-Q129 PolarHBondContact O-N 3.02Å; V127-Q129 VanDerWaalsContact C-N 3.26Å; V127-Q129 PolarHBondContact O-N 3.5Å; Q129-P132 WeakPolarHBondContact O-CD 3.43Å
130	L	88.3	Confident	86.4	Confident	28 Å²	28	76 Å²	76	15%	0.147	38%	0.38	C	S	.	.	H	α-helix	trans	-89.9	-15.5	176.6	-66.8	172.1	0	0	0	113.3	L97 M98 V101 K126 V127 N128 P132 L133	L97-L130 HydrophobicContact CB-CD2 4.14Å; L97-L130 HydrophobicContact CD2-CD2 3.71Å; L97-L130 HydrophobicContact CD2-CG 3.9Å; L97-L130 HydrophobicContact CG-CD2 3.93Å; L97-L130 HydrophobicContact CG-CG 4.14Å; M98-L130 HydrophobicContact CG-CD1 4.15Å; M98-L130 HydrophobicContact CG-CD2 3.57Å; V101-L130 HydrophobicContact CB-CD1 4.16Å; V101-L130 HydrophobicContact CG1-CD1 4.38Å; V101-L130 HydrophobicContact CG2-CD1 3.91Å; K126-L130 WeakPolarHBondContact O-CG 3.36Å; K126-L130 PolarHBondContact O-N 2.98Å; V127-L130 WeakPolarHBondContact O-CB 3.35Å; V127-L130 PolarHBondContact O-N 3.31Å; N128-L130 PolarHBondContact O-N 3.43Å; L130-P132 VanDerWaalsContact C-N 3.31Å; L130-L133 HydrophobicContact CB-CD1 4.28Å; L130-L133 HydrophobicContact CD2-CD1 3.48Å; L130-L133 VanDerWaalsContact CD2-CD1 3.48Å; L130-L133 HydrophobicContact CG-CD1 4.49Å; L130-L133 VanDerWaalsContact O-CB 3.3Å; L130-L133 WeakPolarHBondContact O-CB 3.25Å; L130-L133 PolarHBondContact O-N 3.32Å
131	L	87.4	Confident	86.7	Confident	92 Å²	92	75 Å²	75	48%	0.482	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.2	179.3	-71.5	171.8	0	0	0	114.2	V127 N128 L133 L134	V127-L131 PolarHBondContact O-N 3.12Å; N128-L131 HydrophobicContact CB-CD1 4.49Å; N128-L131 PolarHBondContact O-N 3.48Å; L131-L133 PolarHBondContact O-N 3Å; L131-L133 VanDerWaalsContact O-N 3.14Å; L131-L134 HydrophobicContact CD2-CD1 4.37Å; L131-L134 PolarHBondContact O-N 3.13Å
132	P	89.1	Confident	86.9	Confident	64 Å²	64	73.1 Å²	73.1	42%	0.416	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.5	178.2	-20.7	34.5	0	0	0	115	Q129 L130 P135	Q129-P132 WeakPolarHBondContact O-CD 3.43Å; L130-P132 VanDerWaalsContact C-N 3.31Å; P132-P135 VanDerWaalsContact O-CD 3.31Å; P132-P135 WeakPolarHBondContact O-CD 3.5Å; P132-P135 VanDerWaalsContact O-CG 3.28Å; P132-P135 WeakPolarHBondContact O-CG 3.43Å
133	L	87.6	Confident	86.9	Confident	11 Å²	11	69.8 Å²	69.8	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-73.7	-28.1	173.9	-75.1	162.7	0	0	0	113.4	Y90 V91 T94 M98 L130 L131 V136 L137	Y90-L133 HydrophobicContact CD1-CD2 3.64Å; Y90-L133 HydrophobicContact CE1-CD2 3.44Å; Y90-L133 VanDerWaalsContact CE1-CD2 3.44Å; Y90-L133 HydrophobicContact CE1-CG 3.96Å; V91-L133 HydrophobicContact CG2-CD2 4.14Å; T94-L133 HydrophobicContact CG2-CD1 4.16Å; T94-L133 HydrophobicContact CG2-CD2 4.05Å; T94-L133 HydrophobicContact CG2-CG 4.25Å; T94-L133 VanDerWaalsContact OG1-CD2 3.25Å; T94-L133 WeakPolarHBondContact OG1-CD2 3.47Å; M98-L133 HydrophobicContact CG-CD1 4.33Å; M98-L133 HydrophobicContact SD-CD1 4.06Å; L130-L133 HydrophobicContact CB-CD1 4.28Å; L130-L133 HydrophobicContact CD2-CD1 3.48Å; L130-L133 VanDerWaalsContact CD2-CD1 3.48Å; L130-L133 HydrophobicContact CG-CD1 4.49Å; L130-L133 VanDerWaalsContact O-CB 3.3Å; L130-L133 WeakPolarHBondContact O-CB 3.25Å; L130-L133 PolarHBondContact O-N 3.32Å; L131-L133 PolarHBondContact O-N 3Å; L131-L133 VanDerWaalsContact O-N 3.14Å; L133-V136 WeakPolarHBondContact O-CB 3.43Å; L133-V136 PolarHBondContact O-N 3.3Å; L133-V136 VanDerWaalsContact O-N 3.12Å; L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3.34Å
134	L	86.8	Confident	86.9	Confident	112 Å²	112	71.2 Å²	71.2	59%	0.586	37%	0.373	S	S	*	.	H	α-helix	trans	-54.7	-52.3	-179.9	-72.3	167.8	0	0	0	112.8	L131 V136 L137 E138	L131-L134 HydrophobicContact CD2-CD1 4.37Å; L131-L134 PolarHBondContact O-N 3.13Å; L134-V136 VanDerWaalsContact C-N 3.27Å; L134-V136 PolarHBondContact O-N 3.39Å; L134-L137 PolarHBondContact O-N 3.36Å; L134-E138 PolarHBondContact O-N 2.84Å
135	P	90.1	Very high	87.1	Confident	85 Å²	85	72.7 Å²	72.7	55%	0.552	38%	0.379	S	S	*	.	H	α-helix	trans	-64.5	-29.7	177.1	24.8	-35.1	0	0	0	113.2	P132 Q139	P132-P135 VanDerWaalsContact O-CD 3.31Å; P132-P135 WeakPolarHBondContact O-CD 3.5Å; P132-P135 VanDerWaalsContact O-CG 3.28Å; P132-P135 WeakPolarHBondContact O-CG 3.43Å; P135-Q139 VanDerWaalsContact O-CB 3.29Å; P135-Q139 WeakPolarHBondContact O-CB 3.35Å; P135-Q139 PolarHBondContact O-N 2.75Å
136	V	88.4	Confident	87	Confident	23 Å²	23	73 Å²	73	14%	0.139	38%	0.379	C	S	.	.	H	α-helix	trans	-68.4	-41.9	177	-179.2	0	0	0	0	111	D87 Y90 V91 L133 L134 Q139 Y140	D87-V136 HydrophobicContact CB-CG1 3.72Å; Y90-V136 HydrophobicContact CD1-CG1 4.45Å; Y90-V136 HydrophobicContact CD1-CG2 3.99Å; Y90-V136 HydrophobicContact CE1-CG2 4.12Å; V91-V136 HydrophobicContact CG2-CG1 4.26Å; L133-V136 WeakPolarHBondContact O-CB 3.43Å; L133-V136 PolarHBondContact O-N 3.3Å; L133-V136 VanDerWaalsContact O-N 3.12Å; L134-V136 VanDerWaalsContact C-N 3.27Å; L134-V136 PolarHBondContact O-N 3.39Å; V136-Q139 PolarHBondContact O-N 2.75Å; V136-Y140 WeakPolarHBondContact O-CB 3.47Å; V136-Y140 PolarHBondContact O-N 3.12Å
137	L	85.4	Confident	86.8	Confident	90 Å²	90	75.1 Å²	75.1	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-69.7	-38.1	177.3	-67.9	173.2	0	0	0	112.3	L133 L134 Y140 K141	L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3.34Å; L134-L137 PolarHBondContact O-N 3.36Å; L137-Y140 PolarHBondContact O-N 3.11Å; L137-K141 WeakPolarHBondContact O-CB 3.43Å; L137-K141 PolarHBondContact O-N 3.47Å
138	E	88.4	Confident	86.8	Confident	118 Å²	118	77.5 Å²	77.5	55%	0.551	40%	0.402	S	S	*	.	H	α-helix	trans	-65.8	-38.7	172.9	-73.7	-60	152.7	0	0	111.7	L134 K141 A142	L134-E138 PolarHBondContact O-N 2.84Å; E138-K141 PolarHBondContact O-N 2.99Å; E138-A142 PolarHBondContact O-N 3Å
139	Q	86.9	Confident	86.7	Confident	72 Å²	72	81.9 Å²	81.9	34%	0.336	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-45.8	173.8	-173.9	60.9	44.9	0	0	111.6	R83 P135 V136 K141 A142 D143	R83-Q139 VanDerWaalsContact NH1-NE2 3.15Å; P135-Q139 VanDerWaalsContact O-CB 3.29Å; P135-Q139 WeakPolarHBondContact O-CB 3.35Å; P135-Q139 PolarHBondContact O-N 2.75Å; V136-Q139 PolarHBondContact O-N 2.75Å; Q139-K141 VanDerWaalsContact C-N 3.29Å; Q139-K141 PolarHBondContact O-N 3.36Å; Q139-A142 WeakPolarHBondContact O-CB 3.41Å; Q139-A142 PolarHBondContact O-N 2.8Å; Q139-A142 VanDerWaalsContact O-N 3.09Å; Q139-D143 PolarHBondContact NE2-OD1 3.18Å; Q139-D143 VanDerWaalsContact O-CG 3.31Å; Q139-D143 PolarHBondContact O-N 3.37Å
140	Y	84.6	Confident	86.5	Confident	113 Å²	113	77.5 Å²	77.5	44%	0.443	39%	0.393	S	S	.	.	H	α-helix	trans	-58.7	-40.7	176.4	-176.9	-99	0	0	0	112.3	T84 V136 L137 A142 D143 A144	T84-Y140 HydrophobicContact CG2-CE2 4.13Å; V136-Y140 WeakPolarHBondContact O-CB 3.47Å; V136-Y140 PolarHBondContact O-N 3.12Å; L137-Y140 PolarHBondContact O-N 3.11Å; Y140-A142 VanDerWaalsContact C-N 3.34Å; Y140-A142 PolarHBondContact O-N 2.92Å; Y140-D143 PolarHBondContact O-N 2.95Å; Y140-A144 WeakPolarHBondContact O-CB 3.24Å; Y140-A144 PolarHBondContact O-N 3.4Å
141	K	85.6	Confident	86.3	Confident	115 Å²	115	85 Å²	85	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-64.9	-35.9	175.8	-175.6	-178	178.6	-175.5	0	112.4	L137 E138 Q139	L137-K141 WeakPolarHBondContact O-CB 3.43Å; L137-K141 PolarHBondContact O-N 3.47Å; E138-K141 PolarHBondContact O-N 2.99Å; Q139-K141 VanDerWaalsContact C-N 3.29Å; Q139-K141 PolarHBondContact O-N 3.36Å
142	A	87.6	Confident	86.4	Confident	50 Å²	50	86.8 Å²	86.8	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-69.5	-43.6	174	0	0	0	0	0	111.6	E138 Q139 Y140 A144 K145 M146	E138-A142 PolarHBondContact O-N 3Å; Q139-A142 WeakPolarHBondContact O-CB 3.41Å; Q139-A142 PolarHBondContact O-N 2.8Å; Q139-A142 VanDerWaalsContact O-N 3.09Å; Y140-A142 VanDerWaalsContact C-N 3.34Å; Y140-A142 PolarHBondContact O-N 2.92Å; A142-A144 PolarHBondContact O-N 3.44Å; A142-K145 WeakPolarHBondContact O-CB 3.32Å; A142-K145 PolarHBondContact O-N 3.35Å; A142-M146 PolarHBondContact O-N 3.16Å
143	D	85.2	Confident	86.1	Confident	6 Å²	6	87.3 Å²	87.3	3%	0.032	42%	0.422	C	S	.	.	H	α-helix	trans	-65.3	-38.2	-180	-68.7	-13.8	0	0	0	111.5	L80 R83 Q139 Y140 K145 M146 I147	L80-D143 HydrophobicContact CD2-CB 3.75Å; R83-D143 WeakPolarHBondContact CD-OD2 3.36Å; R83-D143 IonicContact NH1-OD1 3.2Å; R83-D143 PolarHBondContact NH1-OD1 3.38Å; R83-D143 IonicContact NH1-OD2 2.96Å; Q139-D143 PolarHBondContact NE2-OD1 3.18Å; Q139-D143 VanDerWaalsContact O-CG 3.31Å; Q139-D143 PolarHBondContact O-N 3.37Å; Y140-D143 PolarHBondContact O-N 2.95Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.32Å; D143-M146 WeakPolarHBondContact O-CA 3.3Å; D143-M146 WeakPolarHBondContact O-CB 3.31Å; D143-M146 PolarHBondContact O-N 3.19Å; D143-I147 WeakPolarHBondContact O-CG1 3.32Å; D143-I147 PolarHBondContact O-N 2.89Å
144	A	83.4	Confident	85.8	Confident	44 Å²	44	90.3 Å²	90.3	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-59.7	-37.7	173.5	0	0	0	0	0	112.9	Y140 A142 L148	Y140-A144 WeakPolarHBondContact O-CB 3.24Å; Y140-A144 PolarHBondContact O-N 3.4Å; A142-A144 PolarHBondContact O-N 3.44Å; A144-L148 PolarHBondContact O-N 2.97Å
145	K	87.9	Confident	85.7	Confident	137 Å²	137	92.5 Å²	92.5	60%	0.596	44%	0.441	S	S	*	.	H	α-helix	trans	-68.9	-37.1	173.5	-68	174.8	-179.6	-179.7	0	111.6	A142 D143 L148 R149	A142-K145 WeakPolarHBondContact O-CB 3.32Å; A142-K145 PolarHBondContact O-N 3.35Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.32Å; K145-L148 PolarHBondContact O-N 3.01Å; K145-R149 PolarHBondContact O-N 3.36Å
146	M	85.9	Confident	85.5	Confident	77 Å²	77	92.5 Å²	92.5	38%	0.379	44%	0.436	S	S	.	.	H	α-helix	trans	-65.1	-40.5	177.4	-171	167.1	175.1	0	0	111.9	L80 A142 D143 L148 R149 L150	L80-M146 HydrophobicContact CD1-CB 4.5Å; L80-M146 HydrophobicContact CD1-CE 4.23Å; L80-M146 HydrophobicContact CD1-CG 4Å; L80-M146 HydrophobicContact CD1-SD 4.04Å; L80-M146 HydrophobicContact CD2-SD 4.15Å; L80-M146 HydrophobicContact CG-SD 4.4Å; A142-M146 PolarHBondContact O-N 3.16Å; D143-M146 WeakPolarHBondContact O-CA 3.3Å; D143-M146 WeakPolarHBondContact O-CB 3.31Å; D143-M146 PolarHBondContact O-N 3.19Å; M146-L148 VanDerWaalsContact C-N 3.33Å; M146-L148 PolarHBondContact O-N 3.4Å; M146-R149 WeakPolarHBondContact O-CB 3.16Å; M146-R149 PolarHBondContact O-N 3.36Å; M146-L150 HydrophobicContact CG-CD1 4.37Å; M146-L150 WeakPolarHBondContact O-CG 3.47Å; M146-L150 PolarHBondContact O-N 3.35Å
147	I	82.6	Confident	85.2	Confident	89 Å²	89	92.1 Å²	92.1	46%	0.456	43%	0.434	S	S	.	.	H	α-helix	trans	-60.2	-41.9	175.7	-70.6	164.4	0	0	0	111.7	L80 D143 R149 L150 R151	L80-I147 HydrophobicContact CD1-CG1 4.38Å; D143-I147 WeakPolarHBondContact O-CG1 3.32Å; D143-I147 PolarHBondContact O-N 2.89Å; I147-R149 VanDerWaalsContact C-N 3.31Å; I147-R149 PolarHBondContact O-N 2.87Å; I147-L150 PolarHBondContact O-N 2.85Å; I147-R151 WeakPolarHBondContact O-CB 3.38Å; I147-R151 PolarHBondContact O-N 3.44Å
148	L	85.3	Confident	84.9	Confident	109 Å²	109	90.5 Å²	90.5	57%	0.571	43%	0.43	S	S	*	.	H	α-helix	trans	-61.1	-41.2	176.6	-70.7	171.9	0	0	0	111.7	A144 K145 M146 R151 E152	A144-L148 PolarHBondContact O-N 2.97Å; K145-L148 PolarHBondContact O-N 3.01Å; M146-L148 VanDerWaalsContact C-N 3.33Å; M146-L148 PolarHBondContact O-N 3.4Å; L148-R151 WeakPolarHBondContact O-CB 3.39Å; L148-R151 PolarHBondContact O-N 2.87Å; L148-E152 PolarHBondContact O-N 2.9Å
149	R	87.8	Confident	84.7	Confident	172 Å²	172	89.1 Å²	89.1	65%	0.649	43%	0.426	S	S	*	.	H	α-helix	trans	-64.4	-47.3	175.8	-171.7	-176.9	-176.1	167.1	7.2	112.1	K145 M146 I147 R151 E152 E153	K145-R149 PolarHBondContact O-N 3.36Å; M146-R149 WeakPolarHBondContact O-CB 3.16Å; M146-R149 PolarHBondContact O-N 3.36Å; I147-R149 VanDerWaalsContact C-N 3.31Å; I147-R149 PolarHBondContact O-N 2.87Å; R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 3.39Å; R149-E152 PolarHBondContact O-N 3.41Å; R149-E152 VanDerWaalsContact O-N 3.16Å; R149-E153 IonicContact NE-OE1 4Å; R149-E153 PolarHBondContact O-N 3.32Å
150	L	82.8	Confident	84.5	Confident	20 Å²	20	88.4 Å²	88.4	11%	0.105	43%	0.426	C	S	.	.	H	α-helix	trans	-61.2	-36.9	177.8	-68.5	173.6	0	0	0	111.5	I73 L80 M146 I147 E152 E153 V154	I73-L150 HydrophobicContact CG1-CD2 4.12Å; I73-L150 HydrophobicContact CG2-CD2 4.27Å; L80-L150 HydrophobicContact CD1-CD1 3.54Å; M146-L150 HydrophobicContact CG-CD1 4.37Å; M146-L150 WeakPolarHBondContact O-CG 3.47Å; M146-L150 PolarHBondContact O-N 3.35Å; I147-L150 PolarHBondContact O-N 2.85Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-E152 PolarHBondContact O-N 3.43Å; L150-E153 PolarHBondContact O-N 3.1Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.14Å
151	R	84	Confident	83.9	Confident	187 Å²	187	86.9 Å²	86.9	71%	0.706	43%	0.425	S	S	*	.	H	α-helix	trans	-61.8	-41.4	175.6	-173	-178.8	-178.1	-179.1	1.6	112.2	I147 L148 R149 R155	I147-R151 WeakPolarHBondContact O-CB 3.38Å; I147-R151 PolarHBondContact O-N 3.44Å; L148-R151 WeakPolarHBondContact O-CB 3.39Å; L148-R151 PolarHBondContact O-N 2.87Å; R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 3.39Å; R151-R155 PolarHBondContact O-N 3.08Å; R151-R155 VanDerWaalsContact O-N 3.08Å
152	E	88.1	Confident	83.3	Confident	129 Å²	129	86.6 Å²	86.6	60%	0.603	43%	0.427	S	S	*	.	H	α-helix	trans	-66.9	-40.5	174.8	-72.6	-175	161.8	0	0	112.1	L148 R149 L150 R155 N156	L148-E152 PolarHBondContact O-N 2.9Å; R149-E152 PolarHBondContact O-N 3.41Å; R149-E152 VanDerWaalsContact O-N 3.16Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-E152 PolarHBondContact O-N 3.43Å; E152-R155 WeakPolarHBondContact O-CB 3.5Å; E152-R155 PolarHBondContact O-N 2.94Å; E152-N156 PolarHBondContact O-N 2.65Å
153	E	84.8	Confident	82.9	Confident	74 Å²	74	86.5 Å²	86.5	35%	0.346	43%	0.426	S	S	.	.	H	α-helix	trans	-62.1	-44.4	176.2	-71.6	-178.8	-174.3	0	0	111.9	I73 R149 L150 R155 N156 L157	I73-E153 HydrophobicContact CD1-CB 3.86Å; R149-E153 IonicContact NE-OE1 4Å; R149-E153 PolarHBondContact O-N 3.32Å; L150-E153 PolarHBondContact O-N 3.1Å; E153-R155 VanDerWaalsContact C-N 3.33Å; E153-R155 PolarHBondContact O-N 2.9Å; E153-N156 PolarHBondContact O-N 3.17Å; E153-L157 VanDerWaalsContact O-CG 3.3Å; E153-L157 WeakPolarHBondContact O-CG 3.29Å; E153-L157 PolarHBondContact O-N 3.33Å
154	V	81.3	Confident	82.1	Confident	75 Å²	75	87.4 Å²	87.4	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-61.1	-41.5	174.7	171.7	0	0	0	0	111.3	I73 L150 N156 L157 S158	I73-V154 HydrophobicContact CD1-CG2 4.3Å; I73-V154 HydrophobicContact CG2-CG2 3.89Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.14Å; V154-N156 PolarHBondContact O-N 3.17Å; V154-L157 PolarHBondContact O-N 3.08Å; V154-S158 WeakPolarHBondContact O-CB 3.39Å; V154-S158 PolarHBondContact O-N 2.98Å
155	R	84.5	Confident	81.1	Confident	157 Å²	157	92 Å²	92	59%	0.592	45%	0.445	S	S	*	.	H	α-helix	trans	-62.2	-43.9	176.7	-165.2	-171.6	78	94.7	3.7	111.5	R151 E152 E153 S158 L159	R151-R155 PolarHBondContact O-N 3.08Å; R151-R155 VanDerWaalsContact O-N 3.08Å; E152-R155 WeakPolarHBondContact O-CB 3.5Å; E152-R155 PolarHBondContact O-N 2.94Å; E153-R155 VanDerWaalsContact C-N 3.33Å; E153-R155 PolarHBondContact O-N 2.9Å; R155-S158 PolarHBondContact O-N 3.28Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 2.99Å; R155-L159 VanDerWaalsContact O-N 3.13Å
156	N	85.1	Confident	80.3	Confident	85 Å²	85	93.5 Å²	93.5	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-66.4	-41.3	178.2	-71.8	-16.9	0	0	0	111.7	E152 E153 V154 S158 L159 V160	E152-N156 PolarHBondContact O-N 2.65Å; E153-N156 PolarHBondContact O-N 3.17Å; V154-N156 PolarHBondContact O-N 3.17Å; N156-S158 VanDerWaalsContact C-N 3.32Å; N156-S158 PolarHBondContact O-N 3.02Å; N156-L159 PolarHBondContact O-N 3.41Å; N156-V160 WeakPolarHBondContact O-CG2 3.42Å; N156-V160 PolarHBondContact O-N 2.76Å; N156-V160 VanDerWaalsContact O-N 3.09Å
157	L	83.1	Confident	79.4	Confident	16 Å²	16	96.6 Å²	96.6	8%	0.084	47%	0.467	C	S	.	.	H	α-helix	trans	-60.5	-42.5	174.4	-72.5	171.1	0	0	0	111.7	L66 K69 V70 I73 E153 V154 L159 V160 L161	L66-L157 HydrophobicContact CD2-CD2 3.36Å; K69-L157 HydrophobicContact CB-CD1 4.32Å; K69-L157 HydrophobicContact CB-CD2 4.06Å; K69-L157 HydrophobicContact CD-CD2 4.04Å; V70-L157 HydrophobicContact CG2-CD1 4.02Å; I73-L157 HydrophobicContact CD1-CD1 3.43Å; I73-L157 VanDerWaalsContact CD1-CD1 3.43Å; E153-L157 VanDerWaalsContact O-CG 3.3Å; E153-L157 WeakPolarHBondContact O-CG 3.29Å; E153-L157 PolarHBondContact O-N 3.33Å; V154-L157 PolarHBondContact O-N 3.08Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 3.35Å; L157-V160 PolarHBondContact O-N 3.24Å; L157-L161 WeakPolarHBondContact O-CB 3.28Å; L157-L161 PolarHBondContact O-N 3.43Å
158	S	77.4	Confident	78.2	Confident	56 Å²	56	97.2 Å²	97.2	39%	0.392	47%	0.469	S	S	.	.	H	α-helix	trans	-61.7	-40	177.9	-175.2	0	0	0	0	112.2	V154 R155 N156 L161 M162	V154-S158 WeakPolarHBondContact O-CB 3.39Å; V154-S158 PolarHBondContact O-N 2.98Å; R155-S158 PolarHBondContact O-N 3.28Å; N156-S158 VanDerWaalsContact C-N 3.32Å; N156-S158 PolarHBondContact O-N 3.02Å; S158-L161 PolarHBondContact O-N 3.24Å; S158-M162 WeakPolarHBondContact O-CG 3.34Å; S158-M162 PolarHBondContact O-N 3.11Å
159	L	84.3	Confident	76.8	Confident	88 Å²	88	93.9 Å²	93.9	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-65.5	-42.8	175.6	-70.3	170.3	0	0	0	112.4	R155 N156 L157 L161 M162 A163	R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 2.99Å; R155-L159 VanDerWaalsContact O-N 3.13Å; N156-L159 PolarHBondContact O-N 3.41Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 3.35Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 3.02Å; L159-M162 PolarHBondContact O-N 3.08Å; L159-A163 PolarHBondContact O-N 3.21Å
160	V	82.4	Confident	75	Confident	57 Å²	57	90.8 Å²	90.8	35%	0.345	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-39.7	177.3	176.1	0	0	0	0	111	L66 N156 L157 A163 I164	L66-V160 HydrophobicContact CD1-CG1 4.05Å; L66-V160 HydrophobicContact CD2-CB 4.36Å; L66-V160 HydrophobicContact CD2-CG1 4.01Å; N156-V160 WeakPolarHBondContact O-CG2 3.42Å; N156-V160 PolarHBondContact O-N 2.76Å; N156-V160 VanDerWaalsContact O-N 3.09Å; L157-V160 PolarHBondContact O-N 3.24Å; V160-A163 PolarHBondContact O-N 3.4Å; V160-I164 HydrophobicContact CG1-CD1 4.04Å; V160-I164 VanDerWaalsContact O-CG1 3.32Å; V160-I164 WeakPolarHBondContact O-CG1 3.48Å; V160-I164 PolarHBondContact O-N 3.04Å
161	L	72.6	Confident	73.6	Confident	82 Å²	82	96.5 Å²	96.5	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-42.1	175.1	-102.4	137.6	0	0	0	112.4	L157 S158 L159 I164 Q165	L157-L161 WeakPolarHBondContact O-CB 3.28Å; L157-L161 PolarHBondContact O-N 3.43Å; S158-L161 PolarHBondContact O-N 3.24Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 3.02Å; L161-I164 PolarHBondContact O-N 3.26Å; L161-Q165 WeakPolarHBondContact O-CB 3.39Å; L161-Q165 PolarHBondContact O-N 2.79Å
162	M	73.5	Confident	72.5	Confident	108 Å²	108	92.7 Å²	92.7	53%	0.532	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-42.4	176.2	-72.9	178.7	-177.1	0	0	112.1	S158 L159 Q165 E166	S158-M162 WeakPolarHBondContact O-CG 3.34Å; S158-M162 PolarHBondContact O-N 3.11Å; L159-M162 PolarHBondContact O-N 3.08Å; M162-Q165 WeakPolarHBondContact O-CB 3.26Å; M162-Q165 PolarHBondContact O-N 3.4Å; M162-Q165 VanDerWaalsContact O-N 3.15Å; M162-E166 PolarHBondContact O-N 2.8Å
163	A	78.3	Confident	71	Confident	48 Å²	48	94.3 Å²	94.3	40%	0.397	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-41.3	176.9	0	0	0	0	0	112.4	L159 V160 Q165 E166 E167	L159-A163 PolarHBondContact O-N 3.21Å; V160-A163 PolarHBondContact O-N 3.4Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.43Å; A163-E166 PolarHBondContact O-N 3.31Å; A163-E167 PolarHBondContact O-N 3.42Å
164	I	68.4	Low	69.4	Low	25 Å²	25	94.7 Å²	94.7	13%	0.128	49%	0.491	C	S	.	.	H	α-helix	trans	-61.4	-40.5	173.2	-68	168	0	0	0	110.4	Q62 L66 V160 L161 E167 M168	Q62-I164 HydrophobicContact CG-CD1 4.38Å; L66-I164 HydrophobicContact CD1-CD1 3.49Å; L66-I164 VanDerWaalsContact CD1-CD1 3.49Å; V160-I164 HydrophobicContact CG1-CD1 4.04Å; V160-I164 VanDerWaalsContact O-CG1 3.32Å; V160-I164 WeakPolarHBondContact O-CG1 3.48Å; V160-I164 PolarHBondContact O-N 3.04Å; L161-I164 PolarHBondContact O-N 3.26Å; I164-E167 PolarHBondContact O-N 2.89Å; I164-M168 HydrophobicContact CG2-CG 4.38Å; I164-M168 WeakPolarHBondContact O-CG 3.27Å; I164-M168 PolarHBondContact O-N 2.92Å; I164-M168 VanDerWaalsContact O-N 3.1Å
165	Q	63.9	Low	68.3	Low	141 Å²	141	96 Å²	96	66%	0.659	49%	0.492	S	S	*	.	H	α-helix	trans	-66.8	-34.6	179.4	-170.3	173	-7.2	0	0	112.7	L161 M162 A163	L161-Q165 WeakPolarHBondContact O-CB 3.39Å; L161-Q165 PolarHBondContact O-N 2.79Å; M162-Q165 WeakPolarHBondContact O-CB 3.26Å; M162-Q165 PolarHBondContact O-N 3.4Å; M162-Q165 VanDerWaalsContact O-N 3.15Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.43Å
166	E	70.7	Confident	67	Low	168 Å²	168	92.9 Å²	92.9	79%	0.785	49%	0.487	S	S	*	.	H	α-helix	trans	-69.3	-41.1	172.4	-77.3	-177.1	155.8	0	0	112.4	M162 A163 M168 G169	M162-E166 PolarHBondContact O-N 2.8Å; A163-E166 PolarHBondContact O-N 3.31Å; E166-M168 PolarHBondContact O-N 3Å; E166-G169 PolarHBondContact O-N 2.99Å
167	E	65.9	Low	65.7	Low	143 Å²	143	95.7 Å²	95.7	67%	0.668	49%	0.491	S	S	*	.	H	α-helix	trans	-68.8	-30.1	179.2	-78.8	-171.1	177.8	0	0	114	A163 I164 G169	A163-E167 PolarHBondContact O-N 3.42Å; I164-E167 PolarHBondContact O-N 2.89Å; E167-G169 PolarHBondContact O-N 3.48Å
168	M	58.1	Low	64.4	Low	101 Å²	101	100.4 Å²	100.4	50%	0.498	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.5	-179.1	-69.4	-148.1	-51.8	0	0	113.8	I164 E166	I164-M168 HydrophobicContact CG2-CG 4.38Å; I164-M168 WeakPolarHBondContact O-CG 3.27Å; I164-M168 PolarHBondContact O-N 2.92Å; I164-M168 VanDerWaalsContact O-N 3.1Å; E166-M168 PolarHBondContact O-N 3Å
169	G	56.9	Low	63.7	Low	39 Å²	39	104.6 Å²	104.6	40%	0.402	52%	0.52	S	S	.	.			trans	65.1	167	-171.6	0	0	0	0	0	112.4	E166 E167 Y171	E166-G169 PolarHBondContact O-N 2.99Å; E167-G169 PolarHBondContact O-N 3.48Å; G169-Y171 PolarHBondContact O-N 3.25Å
170	A	50.1	Low	62.7	Low	108 Å²	108	103.8 Å²	103.8	89%	0.893	52%	0.519	S	S	*	.	S	Bend	trans	-71.5	40	-175	0	0	0	0	0	114.6	D172	A170-D172 PolarHBondContact O-N 2.88Å
171	Y	52.2	Low	61.5	Low	139 Å²	139	104.7 Å²	104.7	55%	0.545	52%	0.521	S	S	.	.			trans	-81.1	108.5	160.8	-72.4	-67.6	0	0	0	107.5	G169 Y173	G169-Y171 PolarHBondContact O-N 3.25Å; Y171-Y173 PolarHBondContact O-N 3.32Å
172	D	61.1	Low	61.2	Low	107 Å²	107	105.7 Å²	105.7	57%	0.572	53%	0.526	S	S	*	.			trans	-52.2	124.1	170.4	-171.2	-6.8	0	0	0	107.4	A170 E174 E175 L176	A170-D172 PolarHBondContact O-N 2.88Å; D172-E174 PolarHBondContact O-N 3.22Å; D172-E174 PolarHBondContact OD1-N 3.16Å; D172-E175 HydrophobicContact CB-CB 4.06Å; D172-E175 WeakPolarHBondContact O-CA 3.37Å; D172-E175 WeakPolarHBondContact O-CB 3.2Å; D172-E175 PolarHBondContact O-N 3.15Å; D172-L176 PolarHBondContact O-N 3.27Å
173	Y	56	Low	60.6	Low	164 Å²	164	105 Å²	105	64%	0.643	52%	0.524	S	S	*	.	H	α-helix	trans	-50.2	-32.8	179.2	172.3	-95.3	0	0	0	110.9	Y171 R177	Y171-Y173 PolarHBondContact O-N 3.32Å; Y173-R177 WeakPolarHBondContact O-CB 3.41Å; Y173-R177 PolarHBondContact O-N 3.41Å
174	E	52.5	Low	59.8	Low	81 Å²	81	108.2 Å²	108.2	38%	0.379	53%	0.531	S	S	.	.	H	α-helix	trans	-69.8	-36.5	176.3	-149.4	63	-162.7	0	0	112.6	D172 R177 Q178	D172-E174 PolarHBondContact O-N 3.22Å; D172-E174 PolarHBondContact OD1-N 3.16Å; E174-R177 IonicContact OE1-CZ 3.88Å; E174-R177 IonicContact OE1-NH1 2.67Å; E174-R177 PolarHBondContact OE1-NH1 2.76Å; E174-R177 VanDerWaalsContact OE1-NH1 3.16Å; E174-R177 IonicContact OE2-NH1 2.89Å; E174-Q178 WeakPolarHBondContact O-CB 3.48Å; E174-Q178 VanDerWaalsContact O-CG 3.24Å; E174-Q178 WeakPolarHBondContact O-CG 3.4Å; E174-Q178 PolarHBondContact O-N 3.38Å
175	E	57.7	Low	59.4	Low	103 Å²	103	109.8 Å²	109.8	48%	0.481	54%	0.542	S	S	.	.	H	α-helix	trans	-67.3	-43.7	173.2	-170.2	-176	177.4	0	0	111.3	D172 R177 Q178 R179	D172-E175 HydrophobicContact CB-CB 4.06Å; D172-E175 WeakPolarHBondContact O-CA 3.37Å; D172-E175 WeakPolarHBondContact O-CB 3.2Å; D172-E175 PolarHBondContact O-N 3.15Å; E175-R177 VanDerWaalsContact C-N 3.34Å; E175-R177 PolarHBondContact O-N 2.9Å; E175-Q178 PolarHBondContact O-N 2.92Å; E175-R179 WeakPolarHBondContact O-CB 3.31Å; E175-R179 PolarHBondContact O-N 2.89Å
176	L	56.2	Low	59.5	Low	92 Å²	92	111.1 Å²	111.1	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-42.4	177.1	-157	79.7	0	0	0	110.9	D172 R179 V180	D172-L176 PolarHBondContact O-N 3.27Å; L176-R179 PolarHBondContact O-N 3.38Å; L176-V180 WeakPolarHBondContact O-CG2 3.36Å; L176-V180 PolarHBondContact O-N 2.98Å
177	R	57.7	Low	59.2	Low	144 Å²	144	107 Å²	107	54%	0.543	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-43.1	175	-180	-179.7	171.8	-161.1	-0.2	112.3	Y173 E174 E175 R179 V180 L181	Y173-R177 WeakPolarHBondContact O-CB 3.41Å; Y173-R177 PolarHBondContact O-N 3.41Å; E174-R177 IonicContact OE1-CZ 3.88Å; E174-R177 IonicContact OE1-NH1 2.67Å; E174-R177 PolarHBondContact OE1-NH1 2.76Å; E174-R177 VanDerWaalsContact OE1-NH1 3.16Å; E174-R177 IonicContact OE2-NH1 2.89Å; E175-R177 VanDerWaalsContact C-N 3.34Å; E175-R177 PolarHBondContact O-N 2.9Å; R177-R179 VanDerWaalsContact C-N 3.31Å; R177-R179 PolarHBondContact O-N 2.9Å; R177-V180 PolarHBondContact O-N 3.16Å; R177-L181 WeakPolarHBondContact O-CB 3.32Å; R177-L181 PolarHBondContact O-N 3.34Å
178	Q	56	Low	59.1	Low	114 Å²	114	102.8 Å²	102.8	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-41.1	173.3	-77.9	-67.9	-22.3	0	0	111.5	E174 E175 L181 L182	E174-Q178 WeakPolarHBondContact O-CB 3.48Å; E174-Q178 VanDerWaalsContact O-CG 3.24Å; E174-Q178 WeakPolarHBondContact O-CG 3.4Å; E174-Q178 PolarHBondContact O-N 3.38Å; E175-Q178 PolarHBondContact O-N 2.92Å; Q178-L181 PolarHBondContact O-N 3.5Å; Q178-L182 WeakPolarHBondContact O-CB 3.24Å; Q178-L182 PolarHBondContact O-N 3.4Å
179	R	62.3	Low	59.4	Low	144 Å²	144	99.5 Å²	99.5	54%	0.543	49%	0.491	S	S	.	.	H	α-helix	trans	-66.7	-40.5	178.4	-162.9	171.3	-175	167.3	-0.7	112.2	E175 L176 R177 L182 L183	E175-R179 WeakPolarHBondContact O-CB 3.31Å; E175-R179 PolarHBondContact O-N 2.89Å; L176-R179 PolarHBondContact O-N 3.38Å; R177-R179 VanDerWaalsContact C-N 3.31Å; R177-R179 PolarHBondContact O-N 2.9Å; R179-L182 PolarHBondContact O-N 3.38Å; R179-L183 HydrophobicContact CG-CD1 4.32Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 VanDerWaalsContact O-CG 3.27Å; R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 2.84Å
180	V	63.8	Low	59.8	Low	72 Å²	72	100.7 Å²	100.7	44%	0.436	49%	0.492	S	S	.	.	H	α-helix	trans	-61.6	-49	172.8	170.5	0	0	0	0	110.5	L176 R177 L182 L183 E184	L176-V180 WeakPolarHBondContact O-CG2 3.36Å; L176-V180 PolarHBondContact O-N 2.98Å; R177-V180 PolarHBondContact O-N 3.16Å; V180-L182 VanDerWaalsContact C-N 3.29Å; V180-L182 PolarHBondContact O-N 3.2Å; V180-L183 PolarHBondContact O-N 2.95Å; V180-L183 VanDerWaalsContact O-N 3.15Å; V180-E184 HydrophobicContact CG1-CG 4.29Å; V180-E184 WeakPolarHBondContact O-CB 3.37Å; V180-E184 WeakPolarHBondContact O-CG 3.39Å; V180-E184 PolarHBondContact O-N 3.47Å
181	L	58.3	Low	60.5	Low	76 Å²	76	100.3 Å²	100.3	40%	0.398	47%	0.474	S	S	.	.	H	α-helix	trans	-58.3	-42.4	177.6	-177.1	69.1	0	0	0	111.7	R177 Q178 T185	R177-L181 WeakPolarHBondContact O-CB 3.32Å; R177-L181 PolarHBondContact O-N 3.34Å; Q178-L181 PolarHBondContact O-N 3.5Å; L181-T185 WeakPolarHBondContact O-CB 3.38Å; L181-T185 PolarHBondContact O-N 2.69Å; L181-T185 PolarHBondContact O-OG1 2.93Å
182	L	64.7	Low	61.2	Low	103 Å²	103	94.1 Å²	94.1	54%	0.539	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-44.6	176.7	-179.9	66.3	0	0	0	111.6	Q178 R179 V180 T185 R186	Q178-L182 WeakPolarHBondContact O-CB 3.24Å; Q178-L182 PolarHBondContact O-N 3.4Å; R179-L182 PolarHBondContact O-N 3.38Å; V180-L182 VanDerWaalsContact C-N 3.29Å; V180-L182 PolarHBondContact O-N 3.2Å; L182-T185 PolarHBondContact O-N 2.89Å; L182-R186 WeakPolarHBondContact O-CB 3.41Å; L182-R186 VanDerWaalsContact O-CG 3.31Å; L182-R186 WeakPolarHBondContact O-CG 3.39Å; L182-R186 PolarHBondContact O-N 3.31Å
183	L	62.6	Low	61.5	Low	93 Å²	93	93.9 Å²	93.9	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-67	-41.9	179.2	-74.6	170	0	0	0	112.1	R179 V180 T185 R186 L187	R179-L183 HydrophobicContact CG-CD1 4.32Å; R179-L183 WeakPolarHBondContact O-CB 3.48Å; R179-L183 VanDerWaalsContact O-CG 3.27Å; R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 2.84Å; V180-L183 PolarHBondContact O-N 2.95Å; V180-L183 VanDerWaalsContact O-N 3.15Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-R186 PolarHBondContact O-N 2.87Å; L183-L187 WeakPolarHBondContact O-CB 3.42Å; L183-L187 PolarHBondContact O-N 3.38Å
184	E	59.9	Low	61.9	Low	115 Å²	115	91.4 Å²	91.4	54%	0.537	44%	0.441	S	S	.	.	H	α-helix	trans	-60.3	-44.3	172.6	-74.7	-179	162.5	0	0	111.2	V180 R186 L187 H188	V180-E184 HydrophobicContact CG1-CG 4.29Å; V180-E184 WeakPolarHBondContact O-CB 3.37Å; V180-E184 WeakPolarHBondContact O-CG 3.39Å; V180-E184 PolarHBondContact O-N 3.47Å; E184-R186 PolarHBondContact O-N 2.83Å; E184-L187 PolarHBondContact O-N 2.93Å; E184-H188 WeakPolarHBondContact O-CB 3.44Å; E184-H188 PolarHBondContact O-N 3.28Å
185	T	61.3	Low	62.6	Low	58 Å²	58	88.3 Å²	88.3	36%	0.356	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-43.9	175.6	-54.3	0	0	0	0	111.4	L181 L182 L183 H188 S189	L181-T185 WeakPolarHBondContact O-CB 3.38Å; L181-T185 PolarHBondContact O-N 2.69Å; L181-T185 PolarHBondContact O-OG1 2.93Å; L182-T185 PolarHBondContact O-N 2.89Å; L183-T185 VanDerWaalsContact C-N 3.34Å; T185-H188 PolarHBondContact O-N 3.05Å; T185-S189 WeakPolarHBondContact O-CB 3.46Å; T185-S189 PolarHBondContact O-N 3Å
186	R	66.2	Low	63.7	Low	170 Å²	170	84.5 Å²	84.5	64%	0.642	42%	0.415	S	S	*	.	H	α-helix	trans	-64.6	-41.9	176.8	-75.6	-179.9	69.7	178.6	1.4	112.1	L182 L183 E184 S189 C190	L182-R186 WeakPolarHBondContact O-CB 3.41Å; L182-R186 VanDerWaalsContact O-CG 3.31Å; L182-R186 WeakPolarHBondContact O-CG 3.39Å; L182-R186 PolarHBondContact O-N 3.31Å; L183-R186 PolarHBondContact O-N 2.87Å; E184-R186 PolarHBondContact O-N 2.83Å; R186-S189 PolarHBondContact O-N 2.86Å; R186-C190 WeakPolarHBondContact O-CB 3.34Å; R186-C190 PolarHBondContact O-N 3.45Å
187	L	63.9	Low	65.1	Low	81 Å²	81	80.8 Å²	80.8	42%	0.424	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-44.5	176.6	179.9	63.3	0	0	0	110.9	W29 L183 E184 C190 M191	W29-L187 HydrophobicContact CH2-CD1 4.48Å; W29-L187 HydrophobicContact CZ2-CD1 3.94Å; L183-L187 WeakPolarHBondContact O-CB 3.42Å; L183-L187 PolarHBondContact O-N 3.38Å; E184-L187 PolarHBondContact O-N 2.93Å; L187-C190 WeakPolarHBondContact O-CB 3.48Å; L187-C190 PolarHBondContact O-N 2.84Å; L187-M191 HydrophobicContact CD1-CG 4.42Å; L187-M191 WeakPolarHBondContact O-CG 3.47Å; L187-M191 PolarHBondContact O-N 2.97Å
188	H	62.7	Low	66.7	Low	54 Å²	54	77.8 Å²	77.8	25%	0.25	39%	0.39	C	S	.	.	H	α-helix	trans	-60.7	-47	176.8	-167.3	70.6	0	0	0	111.7	E184 T185 C190 M191 Q192	E184-H188 WeakPolarHBondContact O-CB 3.44Å; E184-H188 PolarHBondContact O-N 3.28Å; T185-H188 PolarHBondContact O-N 3.05Å; H188-C190 VanDerWaalsContact C-N 3.3Å; H188-C190 PolarHBondContact O-N 2.93Å; H188-M191 PolarHBondContact O-N 2.97Å; H188-Q192 PolarHBondContact NE2-NE2 3.07Å; H188-Q192 WeakPolarHBondContact O-CB 3.37Å; H188-Q192 WeakPolarHBondContact O-CG 3.4Å; H188-Q192 PolarHBondContact O-N 3.42Å
189	S	64.8	Low	68.5	Low	33 Å²	33	72.5 Å²	72.5	23%	0.231	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-38.9	174.7	-177.9	0	0	0	0	112.2	T185 R186 K193	T185-S189 WeakPolarHBondContact O-CB 3.46Å; T185-S189 PolarHBondContact O-N 3Å; R186-S189 PolarHBondContact O-N 2.86Å; S189-K193 WeakPolarHBondContact O-CG 3.48Å; S189-K193 PolarHBondContact O-N 3.24Å; S189-K193 VanDerWaalsContact O-N 3.09Å
190	C	65.3	Low	70	Confident	63 Å²	63	69.2 Å²	69.2	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-64.2	-47.9	175.8	-171.1	0	0	0	0	111.8	R186 L187 H188 Q192 K193 L194	R186-C190 WeakPolarHBondContact O-CB 3.34Å; R186-C190 PolarHBondContact O-N 3.45Å; L187-C190 WeakPolarHBondContact O-CB 3.48Å; L187-C190 PolarHBondContact O-N 2.84Å; H188-C190 VanDerWaalsContact C-N 3.3Å; H188-C190 PolarHBondContact O-N 2.93Å; C190-Q192 VanDerWaalsContact C-N 3.34Å; C190-Q192 PolarHBondContact O-N 3.38Å; C190-K193 PolarHBondContact O-N 3.09Å; C190-L194 WeakPolarHBondContact O-CB 3.34Å; C190-L194 WeakPolarHBondContact O-CG 3.42Å; C190-L194 PolarHBondContact O-N 3.47Å
191	M	65.7	Low	71.3	Confident	101 Å²	101	66.6 Å²	66.6	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-36.9	179	-68.9	-152	-55.8	0	0	112.7	L187 H188 L194 G195	L187-M191 HydrophobicContact CD1-CG 4.42Å; L187-M191 WeakPolarHBondContact O-CG 3.47Å; L187-M191 PolarHBondContact O-N 2.97Å; H188-M191 PolarHBondContact O-N 2.97Å; M191-L194 PolarHBondContact O-N 2.94Å; M191-G195 PolarHBondContact O-N 2.79Å
192	Q	66.9	Low	73.1	Confident	8 Å²	8	64 Å²	64	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-48.4	173	-80.4	-178.6	-20.7	0	0	110.9	H188 C190 L194 G195 C196 E330	H188-Q192 PolarHBondContact NE2-NE2 3.07Å; H188-Q192 WeakPolarHBondContact O-CB 3.37Å; H188-Q192 WeakPolarHBondContact O-CG 3.4Å; H188-Q192 PolarHBondContact O-N 3.42Å; C190-Q192 VanDerWaalsContact C-N 3.34Å; C190-Q192 PolarHBondContact O-N 3.38Å; Q192-L194 VanDerWaalsContact C-N 3.34Å; Q192-L194 PolarHBondContact O-N 3.49Å; Q192-G195 PolarHBondContact O-N 3.38Å; Q192-C196 PolarHBondContact O-N 3.26Å; Q192-E330 HydrophobicContact CB-CB 4.28Å; Q192-E330 HydrophobicContact CB-CG 3.8Å
193	K	66.2	Low	74.5	Confident	103 Å²	103	60.9 Å²	60.9	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-65.6	-32.8	176.5	-71.2	178.9	-178.9	-176.5	0	113.8	S189 C190 G195 C196 E330	S189-K193 WeakPolarHBondContact O-CG 3.48Å; S189-K193 PolarHBondContact O-N 3.24Å; S189-K193 VanDerWaalsContact O-N 3.09Å; C190-K193 PolarHBondContact O-N 3.09Å; K193-G195 PolarHBondContact O-N 3.31Å; K193-C196 WeakPolarHBondContact O-CB 3.47Å; K193-C196 PolarHBondContact O-N 3.11Å; K193-E330 VanDerWaalsContact CE-O 3.24Å; K193-E330 WeakPolarHBondContact CE-O 3.24Å; K193-E330 HydrophobicContact CG-CB 4.3Å
194	L	64.8	Low	76.1	Confident	112 Å²	112	62.5 Å²	62.5	59%	0.586	33%	0.332	S	S	*	.	H	α-helix	trans	-68	-22.9	177.5	-85.2	160.6	0	0	0	113.2	C190 M191 Q192 Q447	C190-L194 WeakPolarHBondContact O-CB 3.34Å; C190-L194 WeakPolarHBondContact O-CG 3.42Å; C190-L194 PolarHBondContact O-N 3.47Å; M191-L194 PolarHBondContact O-N 2.94Å; Q192-L194 VanDerWaalsContact C-N 3.34Å; Q192-L194 PolarHBondContact O-N 3.49Å; L194-Q447 VanDerWaalsContact O-CD 3.29Å; L194-Q447 PolarHBondContact O-NE2 3.42Å; L194-Q447 PolarHBondContact O-OE1 2.87Å
195	G	68.1	Low	77.9	Confident	16 Å²	16	58 Å²	58	17%	0.165	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	24.6	173.4	0	0	0	0	0	113.8	M191 Q192 K193 R428	M191-G195 PolarHBondContact O-N 2.79Å; Q192-G195 PolarHBondContact O-N 3.38Å; K193-G195 PolarHBondContact O-N 3.31Å; G195-R428 PolarHBondContact O-NH2 2.66Å
196	C	80.6	Confident	79.6	Confident	23 Å²	23	59.1 Å²	59.1	16%	0.155	32%	0.316	C	S	.	.			trans	-77.2	139.6	174.7	-98.4	0	0	0	0	112.2	Q192 K193 E330 C378 Q447	Q192-C196 PolarHBondContact O-N 3.26Å; K193-C196 WeakPolarHBondContact O-CB 3.47Å; K193-C196 PolarHBondContact O-N 3.11Å; C196-E330 VanDerWaalsContact SG-CG 3.56Å; C196-C378 WeakPolarHBondContact CA-SG 3.5Å; C196-C378 HydrophobicContact CB-CB 3.61Å; C196-C378 WeakPolarHBondContact CB-SG 3.18Å; C196-C378 WeakPolarHBondContact SG-CB 3.5Å; C196-C378 CovalentContact SG-SG 2.03Å; C196-C378 PolarHBondContact SG-SG 3.35Å; C196-Q447 WeakPolarHBondContact O-CB 3.13Å; C196-Q447 WeakPolarHBondContact O-CG 3.36Å; C196-Q447 PolarHBondContact O-OE1 3.02Å
197	G	85.9	Confident	81.2	Confident	14 Å²	14	53.7 Å²	53.7	14%	0.144	30%	0.301	C	S	.	.			trans	-163.3	173.2	-178.9	0	0	0	0	0	113.4	F446	G197-F446 CarbonylContact C-O 3.54Å; G197-F446 WeakPolarHBondContact CA-O 2.87Å
198	K	90.2	Very high	82.8	Confident	81 Å²	81	50.7 Å²	50.7	35%	0.352	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.7	174.7	177.2	173.1	174	167.5	0	109.5	T200 Y398 E405 L445 F446	K198-T200 PolarHBondContact O-N 3.27Å; K198-Y398 WeakPolarHBondContact CD-OH 3.38Å; K198-Y398 WeakPolarHBondContact CE-OH 3.28Å; K198-Y398 PolarHBondContact NZ-OH 3.26Å; K198-E405 WeakPolarHBondContact CE-OE1 3.32Å; K198-E405 IonicContact NZ-OE1 2.64Å; K198-E405 PolarHBondContact NZ-OE1 2.93Å; K198-E405 IonicContact NZ-OE2 2.64Å; K198-E405 PolarHBondContact NZ-OE2 2.9Å; K198-L445 CarbonylContact O-C 3.49Å; K198-L445 WeakPolarHBondContact O-CA 3.36Å; K198-F446 PolarHBondContact N-O 3.44Å; K198-F446 PolarHBondContact O-N 3.44Å
199	L	94.4	Very high	84.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	127.3	173.5	-176.2	66.6	0	0	0	110.7	G201 V202 F375 I377 Y382 I393 I409 V443 L445	L199-G201 WeakPolarHBondContact CD1-O 3.19Å; L199-V202 HydrophobicContact CD1-CG2 4.49Å; L199-V202 HydrophobicContact CD2-CG2 4.4Å; L199-F375 HydrophobicContact CD2-CE2 4Å; L199-F375 HydrophobicContact CD2-CZ 3.98Å; L199-I377 HydrophobicContact CD1-CD1 4.25Å; L199-I377 HydrophobicContact CD2-CD1 4.4Å; L199-Y382 HydrophobicContact CB-CD1 4.38Å; L199-Y382 HydrophobicContact CB-CE1 3.75Å; L199-Y382 HydrophobicContact CB-CE2 3.96Å; L199-Y382 HydrophobicContact CD2-CD1 4.18Å; L199-Y382 HydrophobicContact CD2-CE1 4.37Å; L199-Y382 HydrophobicContact CD2-CG 4.25Å; L199-Y382 PolarHBondContact N-OH 3.15Å; L199-I393 HydrophobicContact CD2-CD1 3.66Å; L199-I409 HydrophobicContact CB-CD1 4.38Å; L199-I409 HydrophobicContact CD2-CD1 4.3Å; L199-I409 HydrophobicContact CG-CD1 4.13Å; L199-I409 VanDerWaalsContact O-CD1 3.29Å; L199-I409 WeakPolarHBondContact O-CD1 3.46Å; L199-V443 HydrophobicContact CD1-CB 3.65Å; L199-V443 HydrophobicContact CD1-CG1 3.9Å; L199-L445 HydrophobicContact CB-CD2 4.23Å; L199-L445 HydrophobicContact CD1-CD2 3.9Å
200	T	93	Very high	85.9	Confident	75 Å²	75	51.7 Å²	51.7	46%	0.46	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-20.1	178.3	54	0	0	0	0	113.6	K198 T444 F446	K198-T200 PolarHBondContact O-N 3.27Å; T200-T444 PolarHBondContact N-O 3.06Å; T200-T444 PolarHBondContact OG1-O 2.89Å; T200-F446 HydrophobicContact CG2-CB 3.48Å; T200-F446 VanDerWaalsContact CG2-CB 3.48Å; T200-F446 HydrophobicContact CG2-CG 4.45Å
201	G	91.2	Very high	87.3	Confident	18 Å²	18	50.8 Å²	50.8	19%	0.186	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	151.8	-179	0	0	0	0	0	113.6	L199 T444	L199-G201 WeakPolarHBondContact CD1-O 3.19Å; G201-T444 PolarHBondContact N-O 2.83Å; G201-T444 PolarHBondContact O-N 3.1Å
202	V	96.8	Very high	88.7	Confident	22 Å²	22	48 Å²	48	13%	0.133	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.8	174.6	-177.5	0	0	0	0	107.4	L199 I393 I409 F411 L430 Y441	L199-V202 HydrophobicContact CD1-CG2 4.49Å; L199-V202 HydrophobicContact CD2-CG2 4.4Å; V202-I393 HydrophobicContact CG2-CD1 3.66Å; V202-I409 HydrophobicContact CG2-CG2 4.16Å; V202-F411 HydrophobicContact CB-CB 3.94Å; V202-F411 HydrophobicContact CG1-CB 3.74Å; V202-L430 HydrophobicContact CG1-CD1 4.45Å; V202-L430 HydrophobicContact CG2-CD1 4.49Å; V202-Y441 HydrophobicContact CG1-CD1 3.77Å; V202-Y441 HydrophobicContact CG1-CG 3.9Å
203	S	95.2	Very high	90.2	Very high	37 Å²	37	49.9 Å²	49.9	26%	0.259	30%	0.304	S	S	.	.			trans	-69.9	177.6	-178.4	73	0	0	0	0	112.8	Y441 N442	S203-Y441 WeakPolarHBondContact O-CD1 2.99Å; S203-N442 PolarHBondContact N-O 2.68Å; S203-N442 PolarHBondContact OG-N 2.83Å
204	N	95.1	Very high	91.6	Very high	127 Å²	127	50.8 Å²	50.8	68%	0.679	30%	0.304	S	S	*	.			trans	-62.6	151.3	161.8	-72.9	-36.3	0	0	0	110.9
205	P	97.4	Very high	93.2	Very high	19 Å²	19	47.6 Å²	47.6	12%	0.123	29%	0.286	C	S	.	.			trans	-64.9	140.8	178.3	22.6	-31.1	0	0	0	111.8	H412 Q414 V439 Y441	P205-H412 HydrophobicContact CG-CB 4.42Å; P205-Q414 HydrophobicContact CB-CB 4.41Å; P205-Q414 HydrophobicContact CG-CB 3.86Å; P205-V439 HydrophobicContact CB-CG1 3.44Å; P205-V439 VanDerWaalsContact CB-CG1 3.44Å; P205-Y441 HydrophobicContact CB-CD1 4.26Å; P205-Y441 HydrophobicContact CB-CE1 3.54Å; P205-Y441 HydrophobicContact CG-CE1 4.15Å
206	I	97.9	Very high	94.7	Very high	82 Å²	82	46.8 Å²	46.8	42%	0.421	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	106.7	172.7	-56.4	170.3	0	0	0	107.9	V208 V439 L440	I206-V208 PolarHBondContact O-N 3.04Å; I206-V439 WeakPolarHBondContact O-CA 3.35Å; I206-L440 HydrophobicContact CB-CB 4.41Å; I206-L440 PolarHBondContact N-O 2.64Å; I206-L440 PolarHBondContact O-N 3.07Å
207	T	98.3	Very high	95.5	Very high	56 Å²	56	45.7 Å²	45.7	34%	0.344	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.6	176.6	-56.8	0	0	0	0	110.3	Y415	T207-Y415 HydrophobicContact CG2-CE2 4.4Å; T207-Y415 WeakPolarHBondContact CG2-OH 3.36Å; T207-Y415 WeakPolarHBondContact OG1-CE2 3.02Å; T207-Y415 PolarHBondContact OG1-OH 2.97Å
208	V	97.7	Very high	96.1	Very high	18 Å²	18	45 Å²	45	11%	0.109	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-41.8	177.5	174.7	0	0	0	0	110.3	I206 W218 M249 F252 M253 Q438 L440	I206-V208 PolarHBondContact O-N 3.04Å; V208-W218 HydrophobicContact CB-CH2 3.97Å; V208-W218 HydrophobicContact CB-CZ3 4.48Å; V208-W218 HydrophobicContact CG1-CH2 4.11Å; V208-W218 HydrophobicContact CG1-CZ3 4.16Å; V208-W218 HydrophobicContact CG2-CH2 3.64Å; V208-W218 HydrophobicContact CG2-CZ2 4.27Å; V208-W218 HydrophobicContact CG2-CZ3 4.48Å; V208-M249 HydrophobicContact CG1-SD 3.74Å; V208-F252 HydrophobicContact CG1-CD1 3.79Å; V208-F252 HydrophobicContact CG1-CE1 3.69Å; V208-M253 HydrophobicContact CG1-CE 3.8Å; V208-M253 HydrophobicContact CG1-CG 3.79Å; V208-Q438 WeakPolarHBondContact CB-O 3.16Å; V208-Q438 PolarHBondContact N-O 3.48Å; V208-L440 HydrophobicContact CG2-CD1 3.7Å; V208-L440 HydrophobicContact CG2-CG 3.85Å
209	R	96.2	Very high	96.5	Very high	39 Å²	39	41.7 Å²	41.7	15%	0.147	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	149.5	-176.3	-173.7	179	-176.6	-166.1	-12.9	111.6	S211 Y246 F252 G255 H437 Q438	R209-S211 PolarHBondContact NH2-OG 2.03Å; R209-S211 VanDerWaalsContact NH2-OG 3.14Å; R209-Y246 PolarHBondContact NH1-OH 3.11Å; R209-F252 HydrophobicContact CB-CE1 3.86Å; R209-F252 HydrophobicContact CB-CZ 4.14Å; R209-F252 WeakPolarHBondContact CD-O 3.13Å; R209-F252 VanDerWaalsContact CZ-O 3.31Å; R209-F252 PolarHBondContact NE-O 2.85Å; R209-F252 PolarHBondContact NH1-O 3.09Å; R209-G255 VanDerWaalsContact CZ-CA 3.49Å; R209-G255 VanDerWaalsContact NH2-CA 3.29Å; R209-H437 CarbonylContact O-C 3.56Å; R209-H437 WeakPolarHBondContact O-CA 3.15Å; R209-Q438 HydrophobicContact CB-CB 4.41Å; R209-Q438 PolarHBondContact N-O 3.43Å; R209-Q438 PolarHBondContact O-N 3.42Å; R209-Q438 PolarHBondContact O-OE1 3.03Å
210	A	97.4	Very high	96.5	Very high	69 Å²	69	41.7 Å²	41.7	57%	0.57	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	103.3	166.8	0	0	0	0	0	108.7	G436	A210-G436 CarbonylContact C-O 3.52Å
211	S	95.2	Very high	96.6	Very high	44 Å²	44	38.2 Å²	38.2	31%	0.308	23%	0.228	S	C	.	.			trans	-164.7	151.9	-176.5	-160.1	0	0	0	0	112.5	R209 G436 Q438	R209-S211 PolarHBondContact NH2-OG 2.03Å; R209-S211 VanDerWaalsContact NH2-OG 3.14Å; S211-G436 CarbonylContact C-O 3.55Å; S211-G436 PolarHBondContact N-O 3.09Å; S211-G436 VanDerWaalsContact O-O 3.07Å; S211-Q438 PolarHBondContact O-NE2 2.89Å
212	G	94.9	Very high	96.3	Very high	44 Å²	44	37.6 Å²	37.6	45%	0.454	22%	0.221	S	C	.	.	S	Bend	trans	88.9	-173.1	179.1	0	0	0	0	0	112.9
213	S	96.8	Very high	95.4	Very high	46 Å²	46	38.4 Å²	38.4	32%	0.322	22%	0.224	S	C	.	.			trans	-78	178.7	178.5	77.3	0	0	0	0	112.1	F215 D235 W433 G436	S213-F215 PolarHBondContact O-N 3.31Å; S213-F215 VanDerWaalsContact O-N 3.09Å; S213-F215 PolarHBondContact OG-N 2.64Å; S213-F215 PolarHBondContact OG-O 2.96Å; S213-D235 WeakPolarHBondContact CB-OD1 3.43Å; S213-D235 PolarHBondContact N-OD1 2.7Å; S213-D235 PolarHBondContact N-OD2 3.33Å; S213-D235 PolarHBondContact OG-OD1 3.11Å; S213-W433 WeakPolarHBondContact O-CZ2 2.98Å; S213-W433 PolarHBondContact O-NE1 3.3Å; S213-G436 WeakPolarHBondContact O-CA 3.31Å; S213-G436 PolarHBondContact O-N 2.89Å
214	R	97.5	Very high	94.1	Very high	123 Å²	123	37.7 Å²	37.7	46%	0.464	22%	0.216	S	C	.	.	S	Bend	trans	-55.7	-27.4	176.1	173.6	167	174.1	-176.1	-4.6	113.2	H417 W433 N435	R214-H417 PolarHBondContact NH2-CD2 2.77Å; R214-H417 PolarHBondContact NH2-NE2 3.45Å; R214-W433 PolarHBondContact O-NE1 3.05Å; R214-N435 WeakPolarHBondContact CG-OD1 3.42Å
215	F	98.3	Very high	92.5	Very high	44 Å²	44	34.7 Å²	34.7	19%	0.193	20%	0.204	C	C	.	.	S	Bend	trans	-125.1	145.3	-173.8	-44.7	-85.3	0	0	0	110.6	S213 G236 Y237 W318 H417 S419 W433	S213-F215 PolarHBondContact O-N 3.31Å; S213-F215 VanDerWaalsContact O-N 3.09Å; S213-F215 PolarHBondContact OG-N 2.64Å; S213-F215 PolarHBondContact OG-O 2.96Å; F215-G236 VanDerWaalsContact O-CA 3.28Å; F215-G236 WeakPolarHBondContact O-CA 3.45Å; F215-G236 PolarHBondContact O-N 3.07Å; F215-Y237 HydrophobicContact CB-CD1 3.75Å; F215-Y237 HydrophobicContact CD1-CD1 4.3Å; F215-Y237 AromaticContact CD2-CD1 3.66Å; F215-Y237 HydrophobicContact CD2-CD1 3.66Å; F215-Y237 AromaticContact CD2-CE1 3.65Å; F215-Y237 HydrophobicContact CD2-CE1 3.65Å; F215-Y237 HydrophobicContact CE2-CD1 4.31Å; F215-Y237 AromaticContact CE2-CE1 3.86Å; F215-Y237 HydrophobicContact CE2-CE1 3.86Å; F215-Y237 AromaticContact CG-CD1 3.65Å; F215-Y237 HydrophobicContact CG-CD1 3.65Å; F215-Y237 HydrophobicContact CG-CE1 4.05Å; F215-Y237 HydrophobicContact CZ-CE1 4.42Å; F215-W318 AromaticContact CD1-CE3 3.99Å; F215-W318 HydrophobicContact CD1-CE3 3.99Å; F215-W318 AromaticContact CD1-CZ3 3.82Å; F215-W318 HydrophobicContact CD1-CZ3 3.82Å; F215-W318 HydrophobicContact CE1-CE3 4.09Å; F215-W318 HydrophobicContact CE1-CZ3 4.29Å; F215-H417 AromaticContact CD1-CE1 3.95Å; F215-H417 AromaticContact CE1-CE1 3.46Å; F215-H417 VanDerWaalsContact CE1-CE1 3.46Å; F215-H417 WeakPolarHBondContact CE1-CE1 3.49Å; F215-S419 WeakPolarHBondContact CA-OG 3.3Å; F215-W433 VanDerWaalsContact C-NE1 3.34Å
216	G	98.2	Very high	90.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	-171.8	176.3	0	0	0	0	0	110.9	M234 T270 S419 M420 W433	G216-M234 CarbonylContact C-O 3.54Å; G216-M234 WeakPolarHBondContact CA-O 3.44Å; G216-T270 WeakPolarHBondContact O-CG2 3.42Å; G216-S419 PolarHBondContact N-OG 3.45Å; G216-S419 PolarHBondContact O-OG 3.28Å; G216-M420 WeakPolarHBondContact O-CB 3.02Å; G216-W433 VanDerWaalsContact C-CD2 3.49Å; G216-W433 WeakPolarHBondContact O-CB 3.32Å
217	S	98.3	Very high	89.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153.5	174.1	56.6	0	0	0	0	110	M234 T270 H272	S217-M234 PolarHBondContact N-O 2.91Å; S217-M234 PolarHBondContact O-N 3.36Å; S217-M234 WeakPolarHBondContact OG-CB 3.46Å; S217-T270 WeakPolarHBondContact CB-O 3.25Å; S217-T270 PolarHBondContact OG-O 3.4Å; S217-H272 PolarHBondContact OG-ND1 3.42Å; S217-H272 VanDerWaalsContact OG-ND1 3.13Å
218	W	98.6	Very high	88.2	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	147.2	176.9	74.8	-63.2	0	0	0	109.2	V208 V231 W232 M249 F252 M420 Y431 T432 W433 Q438 L440	V208-W218 HydrophobicContact CB-CH2 3.97Å; V208-W218 HydrophobicContact CB-CZ3 4.48Å; V208-W218 HydrophobicContact CG1-CH2 4.11Å; V208-W218 HydrophobicContact CG1-CZ3 4.16Å; V208-W218 HydrophobicContact CG2-CH2 3.64Å; V208-W218 HydrophobicContact CG2-CZ2 4.27Å; V208-W218 HydrophobicContact CG2-CZ3 4.48Å; W218-V231 HydrophobicContact CE3-CG1 3.91Å; W218-V231 HydrophobicContact CZ3-CG1 4.39Å; W218-W232 CarbonylContact C-O 3.6Å; W218-W232 WeakPolarHBondContact CA-O 3.39Å; W218-M249 HydrophobicContact CZ3-CE 4.1Å; W218-M249 HydrophobicContact CZ3-SD 4.23Å; W218-F252 HydrophobicContact CD2-CE1 4.48Å; W218-F252 HydrophobicContact CD2-CZ 4.42Å; W218-F252 HydrophobicContact CE3-CD1 4.35Å; W218-F252 AromaticContact CE3-CE1 3.66Å; W218-F252 HydrophobicContact CE3-CE1 3.66Å; W218-F252 AromaticContact CE3-CZ 3.89Å; W218-F252 HydrophobicContact CE3-CZ 3.89Å; W218-F252 HydrophobicContact CZ3-CD1 4.24Å; W218-F252 AromaticContact CZ3-CE1 3.76Å; W218-F252 HydrophobicContact CZ3-CE1 3.76Å; W218-F252 HydrophobicContact CZ3-CZ 4.44Å; W218-M420 WeakPolarHBondContact O-CE 3.13Å; W218-Y431 AromaticContact CD2-CD1 3.74Å; W218-Y431 HydrophobicContact CD2-CD1 3.74Å; W218-Y431 HydrophobicContact CD2-CE1 4.26Å; W218-Y431 AromaticContact CE2-CD1 3.6Å; W218-Y431 AromaticContact CE3-CD1 3.84Å; W218-Y431 HydrophobicContact CE3-CD1 3.84Å; W218-Y431 AromaticContact CE3-CE1 3.87Å; W218-Y431 HydrophobicContact CE3-CE1 3.87Å; W218-Y431 HydrophobicContact CG-CD1 4.47Å; W218-Y431 AromaticContact CH2-CD1 3.68Å; W218-Y431 HydrophobicContact CH2-CD1 3.68Å; W218-Y431 AromaticContact CH2-CE1 3.61Å; W218-Y431 HydrophobicContact CH2-CE1 3.61Å; W218-Y431 AromaticContact CZ2-CD1 3.58Å; W218-Y431 HydrophobicContact CZ2-CD1 3.58Å; W218-Y431 HydrophobicContact CZ2-CE1 4.02Å; W218-Y431 HydrophobicContact CZ2-CG 4.43Å; W218-Y431 AromaticContact CZ3-CD1 3.82Å; W218-Y431 HydrophobicContact CZ3-CD1 3.82Å; W218-Y431 AromaticContact CZ3-CE1 3.54Å; W218-Y431 HydrophobicContact CZ3-CE1 3.54Å; W218-T432 PolarHBondContact NE1-O 3.21Å; W218-W433 HydrophobicContact CB-CE3 4.46Å; W218-Q438 HydrophobicContact CB-CG 4.16Å; W218-Q438 HydrophobicContact CD2-CB 3.66Å; W218-Q438 HydrophobicContact CD2-CG 3.73Å; W218-Q438 VanDerWaalsContact CE2-CB 3.46Å; W218-Q438 HydrophobicContact CE3-CB 4.21Å; W218-Q438 HydrophobicContact CE3-CG 4.43Å; W218-Q438 HydrophobicContact CG-CB 4Å; W218-Q438 HydrophobicContact CG-CG 3.53Å; W218-Q438 HydrophobicContact CH2-CB 4.4Å; W218-Q438 HydrophobicContact CZ2-CB 3.87Å; W218-L440 HydrophobicContact CH2-CD1 4.12Å; W218-L440 HydrophobicContact CH2-CD2 3.69Å; W218-L440 HydrophobicContact CH2-CG 3.71Å; W218-L440 HydrophobicContact CZ2-CD2 3.69Å; W218-L440 HydrophobicContact CZ2-CG 3.86Å
219	M	97.5	Very high	87.6	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	164.2	-173	58.3	-150.3	68	0	0	111.6	W232 M234 H272 V273 V274 M420	M219-W232 PolarHBondContact N-O 3.43Å; M219-W232 PolarHBondContact O-N 3.4Å; M219-M234 HydrophobicContact CE-CE 4.06Å; M219-M234 HydrophobicContact CG-CE 4.46Å; M219-M234 HydrophobicContact SD-CE 4.42Å; M219-H272 HydrophobicContact CE-CB 3.92Å; M219-H272 VanDerWaalsContact CE-O 3.23Å; M219-H272 WeakPolarHBondContact CE-O 3.33Å; M219-H272 HydrophobicContact SD-CB 4.41Å; M219-V273 VanDerWaalsContact SD-CA 3.54Å; M219-V274 HydrophobicContact CG-CB 4.12Å; M219-V274 HydrophobicContact CG-CG2 3.82Å; M219-V274 HydrophobicContact SD-CB 4.26Å; M219-V274 HydrophobicContact SD-CG2 3.85Å; M219-V274 PolarHBondContact SD-N 3.06Å; M219-M420 HydrophobicContact CE-CE 4.29Å
220	T	95.8	Very high	87.5	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.018	26%	0.256	C	S	.	.			trans	-104.6	169.8	160.8	58.4	0	0	0	0	109.1	T222 R230 V231 M249 N424 R426 E427 Y431	T220-T222 PolarHBondContact O-N 2.89Å; T220-R230 WeakPolarHBondContact CG2-O 3.48Å; T220-V231 HydrophobicContact CG2-CG2 4.05Å; T220-M249 HydrophobicContact CG2-CE 4.44Å; T220-N424 PolarHBondContact OG1-ND2 2.65Å; T220-R426 PolarHBondContact OG1-NH2 3.01Å; T220-E427 PolarHBondContact OG1-OE1 3.22Å; T220-Y431 HydrophobicContact CG2-CE1 4.25Å; T220-Y431 VanDerWaalsContact CG2-OH 3.26Å; T220-Y431 WeakPolarHBondContact CG2-OH 3.48Å; T220-Y431 PolarHBondContact OG1-OH 2.8Å
221	D	93.6	Very high	87.5	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	23%	0.229	C	C	.	.			trans	-71.4	131.9	177.9	-163.6	-53.3	0	0	0	110.5	M223 I224 W232 V274 N276 G277 R426	D221-M223 PolarHBondContact OD1-N 2.78Å; D221-I224 HydrophobicContact CB-CB 4.18Å; D221-I224 HydrophobicContact CB-CD1 3.94Å; D221-I224 HydrophobicContact CB-CG1 4.08Å; D221-I224 VanDerWaalsContact CG-CD1 3.49Å; D221-I224 VanDerWaalsContact CG-CG1 3.43Å; D221-I224 PolarHBondContact OD1-N 3.3Å; D221-I224 WeakPolarHBondContact OD2-CD1 3.24Å; D221-I224 WeakPolarHBondContact OD2-CG1 3.31Å; D221-W232 HydrophobicContact CB-CH2 4.11Å; D221-W232 HydrophobicContact CB-CZ3 3.94Å; D221-V274 HydrophobicContact CB-CG1 3.93Å; D221-V274 WeakPolarHBondContact OD2-CG1 3.44Å; D221-N276 PolarHBondContact OD1-N 3.38Å; D221-N276 PolarHBondContact OD2-N 3.46Å; D221-N276 VanDerWaalsContact OD2-N 3.12Å; D221-G277 PolarHBondContact OD2-N 3.06Å; D221-R426 PolarHBondContact O-NH1 3.17Å
222	T	85.1	Confident	87.6	Confident	6 Å²	6	37 Å²	37	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-80.7	-14.3	-175.4	49.6	0	0	0	0	114.2	T220 V273 V274 Y275 A328	T220-T222 PolarHBondContact O-N 2.89Å; T222-V273 HydrophobicContact CG2-CG2 4.43Å; T222-V274 PolarHBondContact N-O 3.37Å; T222-V274 PolarHBondContact OG1-O 3.03Å; T222-Y275 WeakPolarHBondContact OG1-CD2 3.32Å; T222-A328 HydrophobicContact CG2-CB 4.18Å
223	M	78.1	Confident	87.8	Confident	39 Å²	39	35.4 Å²	35.4	19%	0.192	20%	0.196	C	C	.	.	S	Bend	trans	-134.2	-1.3	-171.5	-72.8	-66.3	-68.4	0	0	116.4	D221 Y275 N276	D221-M223 PolarHBondContact OD1-N 2.78Å; M223-Y275 HydrophobicContact CB-CD2 4.46Å; M223-Y275 HydrophobicContact CB-CE1 4.45Å; M223-Y275 HydrophobicContact CB-CE2 4.35Å; M223-Y275 WeakPolarHBondContact CE-OH 3.46Å; M223-Y275 HydrophobicContact CG-CD1 4.18Å; M223-Y275 HydrophobicContact CG-CD2 3.56Å; M223-Y275 HydrophobicContact CG-CE1 3.8Å; M223-Y275 HydrophobicContact CG-CE2 3.12Å; M223-Y275 HydrophobicContact CG-CG 4.06Å; M223-Y275 HydrophobicContact SD-CE2 3.96Å; M223-N276 HydrophobicContact CB-CB 4.24Å
224	I	68.8	Low	87.9	Confident	21 Å²	21	33.2 Å²	33.2	11%	0.108	18%	0.181	C	C	.	.	S	Bend	trans	-82	148.5	176.6	-68.8	178.4	0	0	0	110.9	D221 D228	D221-I224 HydrophobicContact CB-CB 4.18Å; D221-I224 HydrophobicContact CB-CD1 3.94Å; D221-I224 HydrophobicContact CB-CG1 4.08Å; D221-I224 VanDerWaalsContact CG-CD1 3.49Å; D221-I224 VanDerWaalsContact CG-CG1 3.43Å; D221-I224 PolarHBondContact OD1-N 3.3Å; D221-I224 WeakPolarHBondContact OD2-CD1 3.24Å; D221-I224 WeakPolarHBondContact OD2-CG1 3.31Å; I224-D228 HydrophobicContact CG2-CB 3.49Å; I224-D228 VanDerWaalsContact CG2-CB 3.49Å
225	P	61.9	Low	87.9	Confident	64 Å²	64	30.6 Å²	30.6	42%	0.416	18%	0.176	S	C	.	.			trans	-39.9	141.8	170.8	-18.4	8.2	0	0	0	114.2	S227 D228	P225-S227 PolarHBondContact O-N 2.67Å; P225-D228 PolarHBondContact O-N 2.7Å
226	S	60.3	Low	87.9	Confident	91 Å²	91	29.3 Å²	29.3	64%	0.636	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-9.2	-173.2	58.9	0	0	0	0	115.7	D228	S226-D228 VanDerWaalsContact C-N 3.3Å
227	S	65.4	Low	87.8	Confident	107 Å²	107	32.7 Å²	32.7	75%	0.748	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.4	174.3	56.6	0	0	0	0	113.8	P225	P225-S227 PolarHBondContact O-N 2.67Å
228	D	77.8	Confident	87.7	Confident	30 Å²	30	37.6 Å²	37.6	16%	0.16	21%	0.21	C	C	.	.			trans	-94.8	104.2	-179.7	-164.5	-20.7	0	0	0	111.9	I224 P225 S226 R230 R426	I224-D228 HydrophobicContact CG2-CB 3.49Å; I224-D228 VanDerWaalsContact CG2-CB 3.49Å; P225-D228 PolarHBondContact O-N 2.7Å; S226-D228 VanDerWaalsContact C-N 3.3Å; D228-R230 VanDerWaalsContact CG-NE 3.32Å; D228-R230 VanDerWaalsContact OD1-CB 3.31Å; D228-R230 WeakPolarHBondContact OD1-CB 3.32Å; D228-R230 WeakPolarHBondContact OD1-CG 3.19Å; D228-R230 IonicContact OD1-CZ 3.96Å; D228-R230 PolarHBondContact OD1-N 3.01Å; D228-R230 VanDerWaalsContact OD1-N 3.17Å; D228-R230 IonicContact OD1-NE 3.78Å; D228-R230 PolarHBondContact OD1-NE 3.17Å; D228-R230 IonicContact OD1-NH2 2.65Å; D228-R230 IonicContact OD2-CZ 3.5Å; D228-R230 IonicContact OD2-NE 3.71Å; D228-R230 PolarHBondContact OD2-NE 2.81Å; D228-R230 IonicContact OD2-NH2 2.75Å; D228-R230 PolarHBondContact OD2-NH2 2.77Å; D228-R426 PolarHBondContact O-NH1 2.85Å; D228-R426 PolarHBondContact O-NH2 3.24Å
229	N	84.3	Confident	87.5	Confident	87 Å²	87	43.1 Å²	43.1	47%	0.465	23%	0.234	S	C	.	.			trans	-106.8	28.5	-177.6	-65.4	-28.9	0	0	0	112.5
230	R	93.6	Very high	87.4	Confident	61 Å²	61	43.3 Å²	43.3	23%	0.23	24%	0.238	C	C	.	.			trans	-65.8	143.5	174.3	-74.3	-177.8	-71.8	162.8	3.7	111.2	T220 D228 W232 E245 Y246	T220-R230 WeakPolarHBondContact CG2-O 3.48Å; D228-R230 VanDerWaalsContact CG-NE 3.32Å; D228-R230 VanDerWaalsContact OD1-CB 3.31Å; D228-R230 WeakPolarHBondContact OD1-CB 3.32Å; D228-R230 WeakPolarHBondContact OD1-CG 3.19Å; D228-R230 IonicContact OD1-CZ 3.96Å; D228-R230 PolarHBondContact OD1-N 3.01Å; D228-R230 VanDerWaalsContact OD1-N 3.17Å; D228-R230 IonicContact OD1-NE 3.78Å; D228-R230 PolarHBondContact OD1-NE 3.17Å; D228-R230 IonicContact OD1-NH2 2.65Å; D228-R230 IonicContact OD2-CZ 3.5Å; D228-R230 IonicContact OD2-NE 3.71Å; D228-R230 PolarHBondContact OD2-NE 2.81Å; D228-R230 IonicContact OD2-NH2 2.75Å; D228-R230 PolarHBondContact OD2-NH2 2.77Å; R230-W232 HydrophobicContact CB-CE3 4.43Å; R230-W232 HydrophobicContact CB-CH2 3.42Å; R230-W232 VanDerWaalsContact CB-CH2 3.42Å; R230-W232 HydrophobicContact CB-CZ2 3.87Å; R230-W232 HydrophobicContact CB-CZ3 3.72Å; R230-W232 WeakPolarHBondContact O-CZ3 3.43Å; R230-E245 WeakPolarHBondContact CD-OE1 3.42Å; R230-E245 IonicContact CZ-OE1 3.54Å; R230-E245 IonicContact NE-OE1 2.79Å; R230-E245 IonicContact NH1-OE1 3.16Å; R230-E245 PolarHBondContact NH1-OE1 2.83Å; R230-Y246 WeakPolarHBondContact CA-O 3.4Å
231	V	97.2	Very high	87.5	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.3	179.2	-176.4	0	0	0	0	108.6	W218 T220 Y246 M249 F252	W218-V231 HydrophobicContact CE3-CG1 3.91Å; W218-V231 HydrophobicContact CZ3-CG1 4.39Å; T220-V231 HydrophobicContact CG2-CG2 4.05Å; V231-Y246 PolarHBondContact N-O 3.24Å; V231-Y246 PolarHBondContact O-N 3.49Å; V231-M249 HydrophobicContact CG2-CE 3.78Å; V231-M249 HydrophobicContact CG2-SD 3.97Å; V231-F252 HydrophobicContact CB-CB 4.11Å; V231-F252 HydrophobicContact CB-CD2 4.45Å; V231-F252 HydrophobicContact CB-CG 4.21Å; V231-F252 HydrophobicContact CG1-CB 4.26Å; V231-F252 HydrophobicContact CG1-CD1 4.16Å; V231-F252 HydrophobicContact CG1-CD2 3.85Å; V231-F252 HydrophobicContact CG1-CE2 4.28Å; V231-F252 HydrophobicContact CG1-CG 3.8Å; V231-F252 HydrophobicContact CG2-CB 4.15Å; V231-F252 HydrophobicContact CG2-CG 4.47Å
232	W	98.3	Very high	87.7	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.1	173.7	-65.6	-95.3	0	0	0	110	W218 M219 D221 R230 M234 V243 L244 E245 V274 F294	W218-W232 CarbonylContact C-O 3.6Å; W218-W232 WeakPolarHBondContact CA-O 3.39Å; M219-W232 PolarHBondContact N-O 3.43Å; M219-W232 PolarHBondContact O-N 3.4Å; D221-W232 HydrophobicContact CB-CH2 4.11Å; D221-W232 HydrophobicContact CB-CZ3 3.94Å; R230-W232 HydrophobicContact CB-CE3 4.43Å; R230-W232 HydrophobicContact CB-CH2 3.42Å; R230-W232 VanDerWaalsContact CB-CH2 3.42Å; R230-W232 HydrophobicContact CB-CZ2 3.87Å; R230-W232 HydrophobicContact CB-CZ3 3.72Å; R230-W232 WeakPolarHBondContact O-CZ3 3.43Å; W232-M234 VanDerWaalsContact C-CE 3.49Å; W232-M234 HydrophobicContact CB-CE 3.64Å; W232-V243 HydrophobicContact CB-CG1 4.34Å; W232-L244 CarbonylContact C-O 3.56Å; W232-L244 VanDerWaalsContact CA-O 3.27Å; W232-L244 WeakPolarHBondContact CA-O 3.42Å; W232-E245 HydrophobicContact CZ2-CG 4.5Å; W232-V274 HydrophobicContact CB-CG2 4.06Å; W232-V274 HydrophobicContact CD2-CG1 4.12Å; W232-V274 HydrophobicContact CD2-CG2 4.05Å; W232-V274 HydrophobicContact CE3-CB 4.34Å; W232-V274 HydrophobicContact CE3-CG1 3.98Å; W232-V274 HydrophobicContact CE3-CG2 4.26Å; W232-V274 HydrophobicContact CG-CG2 3.97Å; W232-V274 HydrophobicContact CH2-CG1 4.22Å; W232-V274 HydrophobicContact CZ2-CG1 4.36Å; W232-V274 HydrophobicContact CZ3-CG1 4.05Å; W232-F294 AromaticContact CD1-CE1 3.6Å; W232-F294 AromaticContact CD1-CE2 3.76Å; W232-F294 AromaticContact CD1-CZ 3.26Å; W232-F294 HydrophobicContact CD2-CE2 4.49Å; W232-F294 AromaticContact CE2-CE2 3.93Å; W232-F294 HydrophobicContact CG-CE2 4.38Å; W232-F294 HydrophobicContact CG-CZ 4.05Å; W232-F294 HydrophobicContact CZ2-CD2 4.46Å; W232-F294 AromaticContact NE1-CD1 3.93Å; W232-F294 AromaticContact NE1-CD2 3.74Å; W232-F294 AromaticContact NE1-CE1 3.65Å; W232-F294 AromaticContact NE1-CE2 3.44Å; W232-F294 AromaticContact NE1-CG 3.97Å; W232-F294 AromaticContact NE1-CZ 3.38Å
233	S	98.4	Very high	88.4	Confident	10 Å²	10	53.2 Å²	53.2	7%	0.07	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.8	177.8	-174.5	0	0	0	0	111	L244	S233-L244 PolarHBondContact N-O 3.17Å; S233-L244 PolarHBondContact O-N 3.19Å
234	M	98.4	Very high	89.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	101.7	-177.9	-73.5	127	-76.4	0	0	108.3	G216 S217 M219 W232 V243 W267 H272 L279	G216-M234 CarbonylContact C-O 3.54Å; G216-M234 WeakPolarHBondContact CA-O 3.44Å; S217-M234 PolarHBondContact N-O 2.91Å; S217-M234 PolarHBondContact O-N 3.36Å; S217-M234 WeakPolarHBondContact OG-CB 3.46Å; M219-M234 HydrophobicContact CE-CE 4.06Å; M219-M234 HydrophobicContact CG-CE 4.46Å; M219-M234 HydrophobicContact SD-CE 4.42Å; W232-M234 VanDerWaalsContact C-CE 3.49Å; W232-M234 HydrophobicContact CB-CE 3.64Å; M234-V243 HydrophobicContact CE-CG1 4.25Å; M234-V243 HydrophobicContact CG-CB 4.31Å; M234-V243 HydrophobicContact CG-CG1 4.02Å; M234-V243 HydrophobicContact CG-CG2 3.81Å; M234-V243 HydrophobicContact SD-CG1 4.23Å; M234-V243 HydrophobicContact SD-CG2 4.49Å; M234-W267 HydrophobicContact CB-CH2 4.14Å; M234-W267 HydrophobicContact CB-CZ2 4.04Å; M234-W267 HydrophobicContact CG-CH2 4.19Å; M234-W267 HydrophobicContact CG-CZ3 4.44Å; M234-H272 HydrophobicContact SD-CB 3.83Å; M234-L279 HydrophobicContact SD-CD1 3.75Å; M234-L279 HydrophobicContact SD-CD2 4.46Å
235	D	98.1	Very high	90.7	Very high	68 Å²	68	52.7 Å²	52.7	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.3	-178.9	-172.7	16.3	0	0	0	111.3	S213 W433	S213-D235 WeakPolarHBondContact CB-OD1 3.43Å; S213-D235 PolarHBondContact N-OD1 2.7Å; S213-D235 PolarHBondContact N-OD2 3.33Å; S213-D235 PolarHBondContact OG-OD1 3.11Å; D235-W433 HydrophobicContact CB-CH2 4.4Å
236	G	97.8	Very high	92.4	Very high	16 Å²	16	49.8 Å²	49.8	17%	0.165	25%	0.252	C	S	.	.			trans	82.1	159.9	-179.1	0	0	0	0	0	114.4	F215 W267	F215-G236 VanDerWaalsContact O-CA 3.28Å; F215-G236 WeakPolarHBondContact O-CA 3.45Å; F215-G236 PolarHBondContact O-N 3.07Å; G236-W267 PolarHBondContact O-NE1 3Å
237	Y	97.1	Very high	93.9	Very high	71 Å²	71	54.9 Å²	54.9	28%	0.278	26%	0.257	S	S	.	.	S	Bend	trans	-107.4	-15.3	179.5	70.8	-96.5	0	0	0	113.7	F215 A268 G269 W318 G320	F215-Y237 HydrophobicContact CB-CD1 3.75Å; F215-Y237 HydrophobicContact CD1-CD1 4.3Å; F215-Y237 AromaticContact CD2-CD1 3.66Å; F215-Y237 HydrophobicContact CD2-CD1 3.66Å; F215-Y237 AromaticContact CD2-CE1 3.65Å; F215-Y237 HydrophobicContact CD2-CE1 3.65Å; F215-Y237 HydrophobicContact CE2-CD1 4.31Å; F215-Y237 AromaticContact CE2-CE1 3.86Å; F215-Y237 HydrophobicContact CE2-CE1 3.86Å; F215-Y237 AromaticContact CG-CD1 3.65Å; F215-Y237 HydrophobicContact CG-CD1 3.65Å; F215-Y237 HydrophobicContact CG-CE1 4.05Å; F215-Y237 HydrophobicContact CZ-CE1 4.42Å; Y237-A268 CarbonylContact O-C 3.6Å; Y237-G269 WeakPolarHBondContact CA-O 3.48Å; Y237-G269 PolarHBondContact O-N 3.23Å; Y237-W318 HydrophobicContact CD1-CZ3 4.35Å; Y237-W318 HydrophobicContact CG-CZ3 4.36Å; Y237-G320 VanDerWaalsContact CD2-C 3.41Å; Y237-G320 VanDerWaalsContact CD2-CA 3.42Å; Y237-G320 WeakPolarHBondContact CD2-O 3.36Å; Y237-G320 VanDerWaalsContact CE2-CA 3.45Å
238	F	95.2	Very high	95.2	Very high	104 Å²	104	52.2 Å²	52.2	46%	0.456	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-117.2	118.7	-166.8	-171.7	-103.1	0	0	0	112	G240 Y284	F238-G240 PolarHBondContact O-N 3.48Å; F238-Y284 AromaticContact CD2-CE2 3.82Å; F238-Y284 HydrophobicContact CD2-CE2 3.82Å; F238-Y284 AromaticContact CE2-CE2 3.47Å; F238-Y284 HydrophobicContact CE2-CE2 3.47Å; F238-Y284 VanDerWaalsContact CE2-CE2 3.47Å; F238-Y284 AromaticContact CE2-CZ 3.83Å; F238-Y284 VanDerWaalsContact CE2-OH 3.32Å; F238-Y284 WeakPolarHBondContact CE2-OH 3.47Å; F238-Y284 AromaticContact CZ-CE2 3.97Å; F238-Y284 HydrophobicContact CZ-CE2 3.97Å; F238-Y284 AromaticContact CZ-CZ 3.9Å; F238-Y284 WeakPolarHBondContact CZ-OH 3.45Å
239	K	95.1	Very high	95.9	Very high	116 Å²	116	52.9 Å²	52.9	50%	0.504	24%	0.239	S	C	.	.	S	Bend	trans	54.1	24.3	178	-64	-175.7	179.2	-178.4	0	113.9	P266 W267 Y284	K239-P266 HydrophobicContact CB-CB 4.44Å; K239-W267 PolarHBondContact N-O 3.21Å; K239-Y284 HydrophobicContact CD-CE1 4.11Å; K239-Y284 HydrophobicContact CD-CE2 4.5Å; K239-Y284 WeakPolarHBondContact CE-OH 3.3Å; K239-Y284 HydrophobicContact CG-CD1 4.06Å; K239-Y284 HydrophobicContact CG-CD2 3.85Å; K239-Y284 HydrophobicContact CG-CE1 3.76Å; K239-Y284 HydrophobicContact CG-CE2 3.56Å; K239-Y284 HydrophobicContact CG-CG 4.1Å
240	G	95.9	Very high	96.4	Very high	13 Å²	13	51.5 Å²	51.5	13%	0.134	24%	0.236	C	C	.	.			trans	-69.4	146.6	179.4	0	0	0	0	0	111.1	F238 P266 W267	F238-G240 PolarHBondContact O-N 3.48Å; G240-P266 CarbonylContact O-C 3.57Å; G240-P266 WeakPolarHBondContact O-CA 3.11Å; G240-W267 VanDerWaalsContact C-CD2 3.42Å; G240-W267 VanDerWaalsContact CA-CE2 3.42Å; G240-W267 VanDerWaalsContact CA-CZ2 3.49Å; G240-W267 PolarHBondContact O-N 2.81Å
241	R	97.9	Very high	96.5	Very high	102 Å²	102	49.9 Å²	49.9	39%	0.385	23%	0.232	S	C	.	.			trans	-136.3	-4.5	178.5	-65.7	-177.3	68.9	-178.5	1.2	113.5	L262 L263 P264 P266 W267	R241-L262 HydrophobicContact CB-CD1 3.8Å; R241-L262 CarbonylContact O-C 3.59Å; R241-L262 WeakPolarHBondContact O-CA 3.21Å; R241-L263 VanDerWaalsContact CZ-O 3.27Å; R241-L263 PolarHBondContact NE-O 2.82Å; R241-L263 PolarHBondContact NH2-O 2.91Å; R241-L263 PolarHBondContact O-N 2.92Å; R241-P264 PolarHBondContact NH2-O 3.45Å; R241-P264 VanDerWaalsContact NH2-O 3.08Å; R241-P266 HydrophobicContact CG-CB 3.77Å; R241-W267 VanDerWaalsContact CA-CZ3 3.44Å; R241-W267 VanDerWaalsContact N-CZ3 3.3Å
242	R	98.1	Very high	96.6	Very high	116 Å²	116	49.9 Å²	49.9	44%	0.438	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.3	-162	-158.6	178.8	77.3	110.2	-3.6	109.9	Q260 W267	R242-Q260 VanDerWaalsContact CD-CD 3.45Å; R242-Q260 VanDerWaalsContact CD-OE1 3.24Å; R242-Q260 HydrophobicContact CG-CG 3.56Å; R242-W267 VanDerWaalsContact N-CH2 3.32Å; R242-W267 VanDerWaalsContact N-CZ3 3.28Å; R242-W267 WeakPolarHBondContact O-CH2 3.31Å
243	V	98.6	Very high	96.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.2	178.3	-174.7	0	0	0	0	108.4	W232 M234 H261 L263 W267 L279 F294	W232-V243 HydrophobicContact CB-CG1 4.34Å; M234-V243 HydrophobicContact CE-CG1 4.25Å; M234-V243 HydrophobicContact CG-CB 4.31Å; M234-V243 HydrophobicContact CG-CG1 4.02Å; M234-V243 HydrophobicContact CG-CG2 3.81Å; M234-V243 HydrophobicContact SD-CG1 4.23Å; M234-V243 HydrophobicContact SD-CG2 4.49Å; V243-H261 HydrophobicContact CB-CB 4.25Å; V243-H261 PolarHBondContact N-O 3.36Å; V243-H261 PolarHBondContact O-N 2.77Å; V243-L263 HydrophobicContact CG2-CD1 3.82Å; V243-L263 HydrophobicContact CG2-CD2 4.13Å; V243-L263 HydrophobicContact CG2-CG 3.93Å; V243-W267 HydrophobicContact CG2-CZ3 4.03Å; V243-L279 HydrophobicContact CG2-CD2 3.86Å; V243-F294 HydrophobicContact CG1-CE1 4.03Å; V243-F294 HydrophobicContact CG1-CZ 4.27Å
244	L	98.4	Very high	96.3	Very high	20 Å²	20	60.8 Å²	60.8	11%	0.105	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.3	174.1	-55.1	-174.9	0	0	0	109	W232 S233 Y246 F258 Q260	W232-L244 CarbonylContact C-O 3.56Å; W232-L244 VanDerWaalsContact CA-O 3.27Å; W232-L244 WeakPolarHBondContact CA-O 3.42Å; S233-L244 PolarHBondContact N-O 3.17Å; S233-L244 PolarHBondContact O-N 3.19Å; L244-Y246 HydrophobicContact CB-CD2 4.4Å; L244-Y246 HydrophobicContact CB-CE2 3.69Å; L244-Y246 HydrophobicContact CD1-CE2 4.38Å; L244-F258 HydrophobicContact CD2-CD2 3.82Å; L244-F258 HydrophobicContact CD2-CE2 3.94Å; L244-Q260 HydrophobicContact CD2-CB 4.24Å; L244-Q260 HydrophobicContact CD2-CG 4.15Å
245	E	97.9	Very high	96.2	Very high	29 Å²	29	61.7 Å²	61.7	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.3	173.1	176.4	180	160.5	0	0	108.9	R230 W232 F258 V259 H261	R230-E245 WeakPolarHBondContact CD-OE1 3.42Å; R230-E245 IonicContact CZ-OE1 3.54Å; R230-E245 IonicContact NE-OE1 2.79Å; R230-E245 IonicContact NH1-OE1 3.16Å; R230-E245 PolarHBondContact NH1-OE1 2.83Å; W232-E245 HydrophobicContact CZ2-CG 4.5Å; E245-F258 CarbonylContact O-C 3.48Å; E245-F258 VanDerWaalsContact O-CA 3.24Å; E245-F258 WeakPolarHBondContact O-CA 3.22Å; E245-F258 WeakPolarHBondContact O-CB 3.47Å; E245-V259 HydrophobicContact CB-CB 4.45Å; E245-V259 PolarHBondContact N-O 2.86Å; E245-V259 PolarHBondContact O-N 3.16Å; E245-H261 IonicContact OE2-CD2 3.4Å; E245-H261 IonicContact OE2-CE1 2.86Å; E245-H261 IonicContact OE2-NE2 3.87Å; E245-H261 PolarHBondContact OE2-NE2 2.78Å
246	Y	97.3	Very high	96	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137	174	-64.5	-96.3	0	0	0	108.9	R209 R230 V231 L244 T248 D251 F252 Q256 F258	R209-Y246 PolarHBondContact NH1-OH 3.11Å; R230-Y246 WeakPolarHBondContact CA-O 3.4Å; V231-Y246 PolarHBondContact N-O 3.24Å; V231-Y246 PolarHBondContact O-N 3.49Å; L244-Y246 HydrophobicContact CB-CD2 4.4Å; L244-Y246 HydrophobicContact CB-CE2 3.69Å; L244-Y246 HydrophobicContact CD1-CE2 4.38Å; Y246-T248 VanDerWaalsContact C-N 3.27Å; Y246-T248 PolarHBondContact O-N 2.71Å; Y246-D251 HydrophobicContact CD1-CB 4.27Å; Y246-F252 VanDerWaalsContact CD1-CA 3.49Å; Y246-F252 HydrophobicContact CD1-CB 4.19Å; Y246-F252 HydrophobicContact CD2-CB 4.29Å; Y246-F252 AromaticContact CD2-CD2 3.62Å; Y246-F252 HydrophobicContact CD2-CD2 3.62Å; Y246-F252 HydrophobicContact CD2-CG 4.44Å; Y246-F252 AromaticContact CE2-CD2 3.65Å; Y246-F252 HydrophobicContact CE2-CD2 3.65Å; Y246-F252 HydrophobicContact CE2-CE2 4.23Å; Y246-F252 HydrophobicContact CG-CB 3.9Å; Y246-F252 HydrophobicContact CG-CD2 4.09Å; Y246-Q256 WeakPolarHBondContact CD1-O 3.31Å; Y246-F258 HydrophobicContact CD1-CB 3.73Å; Y246-F258 HydrophobicContact CD2-CB 4.33Å; Y246-F258 HydrophobicContact CE1-CB 3.6Å; Y246-F258 AromaticContact CE1-CD1 3.69Å; Y246-F258 HydrophobicContact CE1-CD1 3.69Å; Y246-F258 HydrophobicContact CE1-CG 4.03Å; Y246-F258 HydrophobicContact CE2-CB 4.22Å; Y246-F258 HydrophobicContact CG-CB 4.11Å; Y246-F258 AromaticContact CZ-CD1 3.93Å
247	R	92.1	Very high	95.8	Very high	199 Å²	199	68.6 Å²	68.6	75%	0.751	32%	0.32	S	S	*	.	S	Bend	trans	-66.6	-31.8	-177.8	-169.2	171.3	-179.1	163.7	-0.6	112.8
248	T	92.1	Very high	95.8	Very high	50 Å²	50	69.3 Å²	69.3	31%	0.307	33%	0.325	S	S	.	.	S	Bend	trans	-142.6	160.1	-176.6	69.7	0	0	0	0	111.6	Y246 S250 D251 F252	Y246-T248 VanDerWaalsContact C-N 3.27Å; Y246-T248 PolarHBondContact O-N 2.71Å; T248-S250 VanDerWaalsContact C-N 3.26Å; T248-S250 PolarHBondContact O-N 3.12Å; T248-S250 PolarHBondContact OG1-N 3.25Å; T248-D251 PolarHBondContact O-N 2.88Å; T248-D251 VanDerWaalsContact OG1-CG 3.23Å; T248-D251 PolarHBondContact OG1-N 3.41Å; T248-D251 VanDerWaalsContact OG1-N 3.08Å; T248-D251 PolarHBondContact OG1-OD2 3.45Å; T248-F252 PolarHBondContact O-N 3.36Å
249	M	92.3	Very high	95.8	Very high	45 Å²	45	67.6 Å²	67.6	22%	0.222	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-35.2	171.2	-172.1	61.3	73.1	0	0	112.6	V208 W218 T220 V231 F252 M253	V208-M249 HydrophobicContact CG1-SD 3.74Å; W218-M249 HydrophobicContact CZ3-CE 4.1Å; W218-M249 HydrophobicContact CZ3-SD 4.23Å; T220-M249 HydrophobicContact CG2-CE 4.44Å; V231-M249 HydrophobicContact CG2-CE 3.78Å; V231-M249 HydrophobicContact CG2-SD 3.97Å; M249-F252 WeakPolarHBondContact O-CB 3.34Å; M249-F252 PolarHBondContact O-N 3.47Å; M249-F252 HydrophobicContact SD-CD1 3.91Å; M249-M253 HydrophobicContact CG-CE 3.86Å; M249-M253 HydrophobicContact CG-SD 4.44Å; M249-M253 WeakPolarHBondContact O-CG 3.26Å; M249-M253 PolarHBondContact O-N 2.91Å; M249-M253 HydrophobicContact SD-CE 4.49Å
250	S	94.9	Very high	96	Very high	57 Å²	57	66.3 Å²	66.3	40%	0.399	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-44.2	176.1	167.8	0	0	0	0	112	T248 F252 M253 K254	T248-S250 VanDerWaalsContact C-N 3.26Å; T248-S250 PolarHBondContact O-N 3.12Å; T248-S250 PolarHBondContact OG1-N 3.25Å; S250-F252 VanDerWaalsContact C-N 3.27Å; S250-F252 PolarHBondContact O-N 3.22Å; S250-M253 PolarHBondContact O-N 3.45Å; S250-K254 WeakPolarHBondContact O-CG 3.37Å; S250-K254 PolarHBondContact O-N 2.74Å
251	D	96.3	Very high	96.1	Very high	28 Å²	28	66 Å²	66	15%	0.15	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-40.4	175.5	-68.7	-46.5	0	0	0	110.7	Y246 T248 K254 G255 Q256 N257	Y246-D251 HydrophobicContact CD1-CB 4.27Å; T248-D251 PolarHBondContact O-N 2.88Å; T248-D251 VanDerWaalsContact OG1-CG 3.23Å; T248-D251 PolarHBondContact OG1-N 3.41Å; T248-D251 VanDerWaalsContact OG1-N 3.08Å; T248-D251 PolarHBondContact OG1-OD2 3.45Å; D251-K254 PolarHBondContact O-N 2.83Å; D251-G255 PolarHBondContact O-N 3.49Å; D251-Q256 PolarHBondContact O-N 3.49Å; D251-N257 HydrophobicContact CB-CB 4.39Å; D251-N257 PolarHBondContact OD1-ND2 3.32Å
252	F	97.6	Very high	96.1	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-53.1	174.3	176.1	-107.6	0	0	0	112	V208 R209 W218 V231 Y246 T248 M249 S250 K254 G255 Q438	V208-F252 HydrophobicContact CG1-CD1 3.79Å; V208-F252 HydrophobicContact CG1-CE1 3.69Å; R209-F252 HydrophobicContact CB-CE1 3.86Å; R209-F252 HydrophobicContact CB-CZ 4.14Å; R209-F252 WeakPolarHBondContact CD-O 3.13Å; R209-F252 VanDerWaalsContact CZ-O 3.31Å; R209-F252 PolarHBondContact NE-O 2.85Å; R209-F252 PolarHBondContact NH1-O 3.09Å; W218-F252 HydrophobicContact CD2-CE1 4.48Å; W218-F252 HydrophobicContact CD2-CZ 4.42Å; W218-F252 HydrophobicContact CE3-CD1 4.35Å; W218-F252 AromaticContact CE3-CE1 3.66Å; W218-F252 HydrophobicContact CE3-CE1 3.66Å; W218-F252 AromaticContact CE3-CZ 3.89Å; W218-F252 HydrophobicContact CE3-CZ 3.89Å; W218-F252 HydrophobicContact CZ3-CD1 4.24Å; W218-F252 AromaticContact CZ3-CE1 3.76Å; W218-F252 HydrophobicContact CZ3-CE1 3.76Å; W218-F252 HydrophobicContact CZ3-CZ 4.44Å; V231-F252 HydrophobicContact CB-CB 4.11Å; V231-F252 HydrophobicContact CB-CD2 4.45Å; V231-F252 HydrophobicContact CB-CG 4.21Å; V231-F252 HydrophobicContact CG1-CB 4.26Å; V231-F252 HydrophobicContact CG1-CD1 4.16Å; V231-F252 HydrophobicContact CG1-CD2 3.85Å; V231-F252 HydrophobicContact CG1-CE2 4.28Å; V231-F252 HydrophobicContact CG1-CG 3.8Å; V231-F252 HydrophobicContact CG2-CB 4.15Å; V231-F252 HydrophobicContact CG2-CG 4.47Å; Y246-F252 VanDerWaalsContact CD1-CA 3.49Å; Y246-F252 HydrophobicContact CD1-CB 4.19Å; Y246-F252 HydrophobicContact CD2-CB 4.29Å; Y246-F252 AromaticContact CD2-CD2 3.62Å; Y246-F252 HydrophobicContact CD2-CD2 3.62Å; Y246-F252 HydrophobicContact CD2-CG 4.44Å; Y246-F252 AromaticContact CE2-CD2 3.65Å; Y246-F252 HydrophobicContact CE2-CD2 3.65Å; Y246-F252 HydrophobicContact CE2-CE2 4.23Å; Y246-F252 HydrophobicContact CG-CB 3.9Å; Y246-F252 HydrophobicContact CG-CD2 4.09Å; T248-F252 PolarHBondContact O-N 3.36Å; M249-F252 WeakPolarHBondContact O-CB 3.34Å; M249-F252 PolarHBondContact O-N 3.47Å; M249-F252 HydrophobicContact SD-CD1 3.91Å; S250-F252 VanDerWaalsContact C-N 3.27Å; S250-F252 PolarHBondContact O-N 3.22Å; F252-K254 VanDerWaalsContact C-N 3.27Å; F252-K254 PolarHBondContact O-N 3.01Å; F252-G255 PolarHBondContact O-N 3.18Å; F252-Q438 HydrophobicContact CE1-CB 4.12Å; F252-Q438 HydrophobicContact CE1-CG 4.37Å; F252-Q438 HydrophobicContact CZ-CB 4Å; F252-Q438 HydrophobicContact CZ-CG 3.74Å
253	M	95.9	Very high	96.1	Very high	99 Å²	99	60.7 Å²	60.7	49%	0.488	30%	0.301	S	S	.	.	H	α-helix	trans	-56.2	-40.2	179.2	-72.7	174	172.9	0	0	112.3	V208 M249 S250 G255	V208-M253 HydrophobicContact CG1-CE 3.8Å; V208-M253 HydrophobicContact CG1-CG 3.79Å; M249-M253 HydrophobicContact CG-CE 3.86Å; M249-M253 HydrophobicContact CG-SD 4.44Å; M249-M253 WeakPolarHBondContact O-CG 3.26Å; M249-M253 PolarHBondContact O-N 2.91Å; M249-M253 HydrophobicContact SD-CE 4.49Å; S250-M253 PolarHBondContact O-N 3.45Å; M253-G255 VanDerWaalsContact C-N 3.34Å
254	K	96.1	Very high	96	Very high	141 Å²	141	63.5 Å²	63.5	61%	0.613	32%	0.319	S	S	*	.	H	α-helix	trans	-79.2	-15.2	177.5	-66.1	176.4	-174.4	176.3	0	113.6	S250 D251 F252 Q256	S250-K254 WeakPolarHBondContact O-CG 3.37Å; S250-K254 PolarHBondContact O-N 2.74Å; D251-K254 PolarHBondContact O-N 2.83Å; F252-K254 VanDerWaalsContact C-N 3.27Å; F252-K254 PolarHBondContact O-N 3.01Å; K254-Q256 VanDerWaalsContact C-N 3.32Å; K254-Q256 HydrophobicContact CB-CG 4.41Å
255	G	94.6	Very high	96	Very high	19 Å²	19	65.1 Å²	65.1	20%	0.196	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	26.7	-175.6	0	0	0	0	0	114.5	R209 D251 F252 M253	R209-G255 VanDerWaalsContact CZ-CA 3.49Å; R209-G255 VanDerWaalsContact NH2-CA 3.29Å; D251-G255 PolarHBondContact O-N 3.49Å; F252-G255 PolarHBondContact O-N 3.18Å; M253-G255 VanDerWaalsContact C-N 3.34Å
256	Q	94.1	Very high	96	Very high	111 Å²	111	65.4 Å²	65.4	52%	0.519	33%	0.33	S	S	.	.			trans	-117.9	168.7	-175.1	-67.4	178	-10.2	0	0	111.2	Y246 D251 K254 F258	Y246-Q256 WeakPolarHBondContact CD1-O 3.31Å; D251-Q256 PolarHBondContact O-N 3.49Å; K254-Q256 VanDerWaalsContact C-N 3.32Å; K254-Q256 HydrophobicContact CB-CG 4.41Å; Q256-F258 PolarHBondContact O-N 2.67Å
257	N	93.8	Very high	96.1	Very high	117 Å²	117	65.3 Å²	65.3	63%	0.626	33%	0.33	S	S	*	.	S	Bend	trans	53.1	49.7	169.9	-53.4	-37.1	0	0	0	115.1	D251	D251-N257 HydrophobicContact CB-CB 4.39Å; D251-N257 PolarHBondContact OD1-ND2 3.32Å
258	F	96.9	Very high	96.4	Very high	87 Å²	87	56 Å²	56	38%	0.382	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	152.8	177.5	59.3	-95	0	0	0	113.1	L244 E245 Y246 Q256	L244-F258 HydrophobicContact CD2-CD2 3.82Å; L244-F258 HydrophobicContact CD2-CE2 3.94Å; E245-F258 CarbonylContact O-C 3.48Å; E245-F258 VanDerWaalsContact O-CA 3.24Å; E245-F258 WeakPolarHBondContact O-CA 3.22Å; E245-F258 WeakPolarHBondContact O-CB 3.47Å; Y246-F258 HydrophobicContact CD1-CB 3.73Å; Y246-F258 HydrophobicContact CD2-CB 4.33Å; Y246-F258 HydrophobicContact CE1-CB 3.6Å; Y246-F258 AromaticContact CE1-CD1 3.69Å; Y246-F258 HydrophobicContact CE1-CD1 3.69Å; Y246-F258 HydrophobicContact CE1-CG 4.03Å; Y246-F258 HydrophobicContact CE2-CB 4.22Å; Y246-F258 HydrophobicContact CG-CB 4.11Å; Y246-F258 AromaticContact CZ-CD1 3.93Å; Q256-F258 PolarHBondContact O-N 2.67Å
259	V	96.9	Very high	96.7	Very high	68 Å²	68	53.7 Å²	53.7	41%	0.412	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	138.2	166.7	177.9	0	0	0	0	108.5	E245	E245-V259 HydrophobicContact CB-CB 4.45Å; E245-V259 PolarHBondContact N-O 2.86Å; E245-V259 PolarHBondContact O-N 3.16Å
260	Q	97.7	Very high	97	Very high	89 Å²	89	51.7 Å²	51.7	42%	0.416	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.4	174.6	-175.7	178	-66.2	0	0	110.7	R242 L244	R242-Q260 VanDerWaalsContact CD-CD 3.45Å; R242-Q260 VanDerWaalsContact CD-OE1 3.24Å; R242-Q260 HydrophobicContact CG-CG 3.56Å; L244-Q260 HydrophobicContact CD2-CB 4.24Å; L244-Q260 HydrophobicContact CD2-CG 4.15Å
261	H	97.9	Very high	97.1	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.032	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.2	167.3	-59.9	-90.5	0	0	0	109.7	V243 E245 Y292 F294	V243-H261 HydrophobicContact CB-CB 4.25Å; V243-H261 PolarHBondContact N-O 3.36Å; V243-H261 PolarHBondContact O-N 2.77Å; E245-H261 IonicContact OE2-CD2 3.4Å; E245-H261 IonicContact OE2-CE1 2.86Å; E245-H261 IonicContact OE2-NE2 3.87Å; E245-H261 PolarHBondContact OE2-NE2 2.78Å; H261-Y292 HydrophobicContact CB-CE1 4.46Å; H261-F294 AromaticContact CD2-CD1 3.75Å; H261-F294 AromaticContact CE1-CD1 3.77Å; H261-F294 AromaticContact CG-CD1 3.86Å; H261-F294 AromaticContact ND1-CD1 3.9Å; H261-F294 AromaticContact NE2-CD1 3.69Å
262	L	98.1	Very high	97.2	Very high	105 Å²	105	47.9 Å²	47.9	55%	0.55	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.5	173.2	-175.4	68.3	0	0	0	109.1	R241	R241-L262 HydrophobicContact CB-CD1 3.8Å; R241-L262 CarbonylContact O-C 3.59Å; R241-L262 WeakPolarHBondContact O-CA 3.21Å
263	L	98.4	Very high	97.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	S	.	.			trans	-69.9	141	-178.3	-58.5	179.8	0	0	0	111.1	R241 V243 H265 W267 L279 Y281 Y292	R241-L263 VanDerWaalsContact CZ-O 3.27Å; R241-L263 PolarHBondContact NE-O 2.82Å; R241-L263 PolarHBondContact NH2-O 2.91Å; R241-L263 PolarHBondContact O-N 2.92Å; V243-L263 HydrophobicContact CG2-CD1 3.82Å; V243-L263 HydrophobicContact CG2-CD2 4.13Å; V243-L263 HydrophobicContact CG2-CG 3.93Å; L263-H265 VanDerWaalsContact C-N 3.27Å; L263-H265 PolarHBondContact O-N 3Å; L263-W267 HydrophobicContact CD1-CE3 3.63Å; L263-W267 HydrophobicContact CD1-CZ3 3.78Å; L263-L279 HydrophobicContact CD1-CD2 3.79Å; L263-L279 HydrophobicContact CD2-CD2 4.03Å; L263-Y281 HydrophobicContact CD1-CD1 4.34Å; L263-Y281 HydrophobicContact CD1-CE1 3.92Å; L263-Y281 HydrophobicContact CD1-CE2 4.19Å; L263-Y292 HydrophobicContact CD2-CD1 3.55Å; L263-Y292 HydrophobicContact CD2-CD2 3.97Å; L263-Y292 HydrophobicContact CD2-CE1 3.76Å; L263-Y292 HydrophobicContact CD2-CE2 4.15Å; L263-Y292 HydrophobicContact CD2-CG 3.66Å
264	P	97.5	Very high	97.3	Very high	59 Å²	59	43.5 Å²	43.5	38%	0.383	23%	0.227	S	C	.	.	S	Bend	trans	-62.2	-33.4	177.6	-26.6	37	0	0	0	113.5	R241 Y292 V299	R241-P264 PolarHBondContact NH2-O 3.45Å; R241-P264 VanDerWaalsContact NH2-O 3.08Å; P264-Y292 HydrophobicContact CG-CE2 4.46Å; P264-V299 HydrophobicContact CB-CG2 4.48Å; P264-V299 HydrophobicContact CG-CG2 4.06Å
265	H	98.1	Very high	97.2	Very high	55 Å²	55	37.7 Å²	37.7	26%	0.255	20%	0.201	S	C	.	.	S	Bend	trans	-121.9	138.3	179.1	-59.8	-58.8	0	0	0	110.7	L263 Y281 K283 I290	L263-H265 VanDerWaalsContact C-N 3.27Å; L263-H265 PolarHBondContact O-N 3Å; H265-Y281 WeakPolarHBondContact O-CE2 3.34Å; H265-Y281 PolarHBondContact O-OH 2.86Å; H265-K283 HydrophobicContact CB-CG 4.24Å; H265-I290 HydrophobicContact CB-CD1 3.64Å
266	P	98.4	Very high	96.9	Very high	35 Å²	35	41.3 Å²	41.3	23%	0.227	22%	0.216	C	C	.	.			trans	-67.1	153.4	175.5	22.8	-26.5	0	0	0	112.7	K239 G240 R241 Y284	K239-P266 HydrophobicContact CB-CB 4.44Å; G240-P266 CarbonylContact O-C 3.57Å; G240-P266 WeakPolarHBondContact O-CA 3.11Å; R241-P266 HydrophobicContact CG-CB 3.77Å; P266-Y284 HydrophobicContact CG-CD1 4.39Å; P266-Y284 HydrophobicContact CG-CG 4.35Å; P266-Y284 WeakPolarHBondContact O-CB 3.49Å; P266-Y284 PolarHBondContact O-N 2.84Å
267	W	98.5	Very high	96.8	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-93.5	163.2	174.5	66.3	81.5	0	0	0	113.4	M234 G236 K239 G240 R241 R242 V243 L263 G269 H272 Y281 N282	M234-W267 HydrophobicContact CB-CH2 4.14Å; M234-W267 HydrophobicContact CB-CZ2 4.04Å; M234-W267 HydrophobicContact CG-CH2 4.19Å; M234-W267 HydrophobicContact CG-CZ3 4.44Å; G236-W267 PolarHBondContact O-NE1 3Å; K239-W267 PolarHBondContact N-O 3.21Å; G240-W267 VanDerWaalsContact C-CD2 3.42Å; G240-W267 VanDerWaalsContact CA-CE2 3.42Å; G240-W267 VanDerWaalsContact CA-CZ2 3.49Å; G240-W267 PolarHBondContact O-N 2.81Å; R241-W267 VanDerWaalsContact CA-CZ3 3.44Å; R241-W267 VanDerWaalsContact N-CZ3 3.3Å; R242-W267 VanDerWaalsContact N-CH2 3.32Å; R242-W267 VanDerWaalsContact N-CZ3 3.28Å; R242-W267 WeakPolarHBondContact O-CH2 3.31Å; V243-W267 HydrophobicContact CG2-CZ3 4.03Å; L263-W267 HydrophobicContact CD1-CE3 3.63Å; L263-W267 HydrophobicContact CD1-CZ3 3.78Å; W267-G269 VanDerWaalsContact CD1-O 3.28Å; W267-H272 WeakPolarHBondContact CB-NE2 3.37Å; W267-H272 AromaticContact CD1-CE1 3.45Å; W267-H272 VanDerWaalsContact CD1-CE1 3.45Å; W267-H272 AromaticContact CD1-NE2 3.43Å; W267-H272 AromaticContact CD2-CE1 3.96Å; W267-H272 AromaticContact CD2-NE2 3.28Å; W267-H272 VanDerWaalsContact CD2-NE2 3.28Å; W267-H272 AromaticContact CE2-CE1 3.96Å; W267-H272 AromaticContact CE2-NE2 3.7Å; W267-H272 AromaticContact CE3-NE2 3.8Å; W267-H272 AromaticContact CG-CE1 3.67Å; W267-H272 AromaticContact CG-NE2 3.14Å; W267-H272 AromaticContact NE1-CE1 3.63Å; W267-H272 AromaticContact NE1-NE2 3.75Å; W267-Y281 HydrophobicContact CB-CD2 3.61Å; W267-Y281 HydrophobicContact CB-CE2 4.19Å; W267-Y281 HydrophobicContact CB-CG 4.48Å; W267-N282 CarbonylContact C-O 3.51Å; W267-N282 WeakPolarHBondContact CA-O 3.41Å
268	A	98.1	Very high	97	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.033	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-122.2	140.7	164.7	0	0	0	0	0	109.7	Y237 N282 Y284	Y237-A268 CarbonylContact O-C 3.6Å; A268-N282 PolarHBondContact N-O 3.09Å; A268-Y284 HydrophobicContact CB-CD2 4.3Å
269	G	98.1	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	74.7	-164.6	-180	0	0	0	0	0	113.1	Y237 W267 H272 G320 S321	Y237-G269 WeakPolarHBondContact CA-O 3.48Å; Y237-G269 PolarHBondContact O-N 3.23Å; W267-G269 VanDerWaalsContact CD1-O 3.28Å; G269-H272 PolarHBondContact O-CE1 2.58Å; G269-G320 VanDerWaalsContact CA-O 3.3Å; G269-G320 WeakPolarHBondContact CA-O 3.42Å; G269-S321 WeakPolarHBondContact CA-O 3.47Å; G269-S321 PolarHBondContact N-O 2.98Å
270	T	98.5	Very high	97.1	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.132	C	C	.	.	S	Bend	trans	-124.3	-1.1	-177.1	46.2	0	0	0	0	112.6	G216 S217 H272 W318 S419	G216-T270 WeakPolarHBondContact O-CG2 3.42Å; S217-T270 WeakPolarHBondContact CB-O 3.25Å; S217-T270 PolarHBondContact OG-O 3.4Å; T270-H272 PolarHBondContact O-N 2.85Å; T270-H272 PolarHBondContact O-ND1 2.91Å; T270-H272 VanDerWaalsContact O-ND1 3.15Å; T270-W318 HydrophobicContact CG2-CH2 3.98Å; T270-W318 HydrophobicContact CG2-CZ2 4.41Å; T270-W318 VanDerWaalsContact OG1-CZ2 3.27Å; T270-W318 WeakPolarHBondContact OG1-CZ2 3.42Å; T270-S419 VanDerWaalsContact CB-O 3.27Å; T270-S419 WeakPolarHBondContact CB-O 3.39Å; T270-S419 PolarHBondContact OG1-O 3.28Å
271	G	97.7	Very high	97.2	Very high	5 Å²	5	19.7 Å²	19.7	5%	0.052	11%	0.112	C	C	.	.			trans	-76.8	59.2	-179.1	0	0	0	0	0	114	D325 L326	G271-D325 WeakPolarHBondContact CA-OD1 3.31Å; G271-L326 WeakPolarHBondContact O-CB 3.26Å; G271-L326 PolarHBondContact O-N 2.87Å
272	H	98.3	Very high	97.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.111	C	C	.	.			trans	-89	150	174.4	-55.4	75.7	0	0	0	109.1	S217 M219 M234 W267 G269 T270 L279 Y280 Y281	S217-H272 PolarHBondContact OG-ND1 3.42Å; S217-H272 VanDerWaalsContact OG-ND1 3.13Å; M219-H272 HydrophobicContact CE-CB 3.92Å; M219-H272 VanDerWaalsContact CE-O 3.23Å; M219-H272 WeakPolarHBondContact CE-O 3.33Å; M219-H272 HydrophobicContact SD-CB 4.41Å; M234-H272 HydrophobicContact SD-CB 3.83Å; W267-H272 WeakPolarHBondContact CB-NE2 3.37Å; W267-H272 AromaticContact CD1-CE1 3.45Å; W267-H272 VanDerWaalsContact CD1-CE1 3.45Å; W267-H272 AromaticContact CD1-NE2 3.43Å; W267-H272 AromaticContact CD2-CE1 3.96Å; W267-H272 AromaticContact CD2-NE2 3.28Å; W267-H272 VanDerWaalsContact CD2-NE2 3.28Å; W267-H272 AromaticContact CE2-CE1 3.96Å; W267-H272 AromaticContact CE2-NE2 3.7Å; W267-H272 AromaticContact CE3-NE2 3.8Å; W267-H272 AromaticContact CG-CE1 3.67Å; W267-H272 AromaticContact CG-NE2 3.14Å; W267-H272 AromaticContact NE1-CE1 3.63Å; W267-H272 AromaticContact NE1-NE2 3.75Å; G269-H272 PolarHBondContact O-CE1 2.58Å; T270-H272 PolarHBondContact O-N 2.85Å; T270-H272 PolarHBondContact O-ND1 2.91Å; T270-H272 VanDerWaalsContact O-ND1 3.15Å; H272-L279 HydrophobicContact CB-CD1 4.07Å; H272-Y280 WeakPolarHBondContact CA-O 3.22Å; H272-Y281 VanDerWaalsContact CD2-CB 3.49Å; H272-Y281 WeakPolarHBondContact CD2-CB 3.28Å
273	V	98.1	Very high	97.2	Very high	7 Å²	7	17 Å²	17	4%	0.042	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.5	166.7	63.6	0	0	0	0	110.9	M219 T222 Y280 L326 A328 L333	M219-V273 VanDerWaalsContact SD-CA 3.54Å; T222-V273 HydrophobicContact CG2-CG2 4.43Å; V273-Y280 HydrophobicContact CG1-CD2 4.3Å; V273-Y280 HydrophobicContact CG1-CG 4.34Å; V273-Y280 PolarHBondContact N-O 3.05Å; V273-Y280 PolarHBondContact O-N 2.75Å; V273-L326 HydrophobicContact CG1-CB 3.77Å; V273-A328 HydrophobicContact CG2-CB 4.03Å; V273-L333 HydrophobicContact CG1-CD1 3.56Å
274	V	97.4	Very high	97.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.6	168.9	179.8	0	0	0	0	108.4	M219 D221 T222 W232 S278 L279 F294	M219-V274 HydrophobicContact CG-CB 4.12Å; M219-V274 HydrophobicContact CG-CG2 3.82Å; M219-V274 HydrophobicContact SD-CB 4.26Å; M219-V274 HydrophobicContact SD-CG2 3.85Å; M219-V274 PolarHBondContact SD-N 3.06Å; D221-V274 HydrophobicContact CB-CG1 3.93Å; D221-V274 WeakPolarHBondContact OD2-CG1 3.44Å; T222-V274 PolarHBondContact N-O 3.37Å; T222-V274 PolarHBondContact OG1-O 3.03Å; W232-V274 HydrophobicContact CB-CG2 4.06Å; W232-V274 HydrophobicContact CD2-CG1 4.12Å; W232-V274 HydrophobicContact CD2-CG2 4.05Å; W232-V274 HydrophobicContact CE3-CB 4.34Å; W232-V274 HydrophobicContact CE3-CG1 3.98Å; W232-V274 HydrophobicContact CE3-CG2 4.26Å; W232-V274 HydrophobicContact CG-CG2 3.97Å; W232-V274 HydrophobicContact CH2-CG1 4.22Å; W232-V274 HydrophobicContact CZ2-CG1 4.36Å; W232-V274 HydrophobicContact CZ3-CG1 4.05Å; V274-S278 WeakPolarHBondContact CA-O 3.21Å; V274-L279 HydrophobicContact CG2-CD1 3.83Å; V274-F294 HydrophobicContact CG1-CE2 3.97Å; V274-F294 HydrophobicContact CG2-CE2 3.97Å; V274-F294 HydrophobicContact CG2-CZ 4.21Å
275	Y	93.4	Very high	97.1	Very high	19 Å²	19	20.8 Å²	20.8	8%	0.075	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	113.3	-173.6	-172.9	-79.8	0	0	0	109.9	T222 M223 G277 S278 Y280 A328 P353	T222-Y275 WeakPolarHBondContact OG1-CD2 3.32Å; M223-Y275 HydrophobicContact CB-CD2 4.46Å; M223-Y275 HydrophobicContact CB-CE1 4.45Å; M223-Y275 HydrophobicContact CB-CE2 4.35Å; M223-Y275 WeakPolarHBondContact CE-OH 3.46Å; M223-Y275 HydrophobicContact CG-CD1 4.18Å; M223-Y275 HydrophobicContact CG-CD2 3.56Å; M223-Y275 HydrophobicContact CG-CE1 3.8Å; M223-Y275 HydrophobicContact CG-CE2 3.12Å; M223-Y275 HydrophobicContact CG-CG 4.06Å; M223-Y275 HydrophobicContact SD-CE2 3.96Å; Y275-G277 PolarHBondContact O-N 3.38Å; Y275-S278 PolarHBondContact N-O 3.26Å; Y275-S278 PolarHBondContact O-N 2.91Å; Y275-Y280 HydrophobicContact CD1-CE2 4.48Å; Y275-Y280 HydrophobicContact CG-CE2 4.49Å; Y275-Y280 WeakPolarHBondContact O-CE2 3.5Å; Y275-A328 HydrophobicContact CD2-CB 3.54Å; Y275-A328 HydrophobicContact CE2-CB 3.84Å; Y275-P353 HydrophobicContact CD1-CB 4.18Å; Y275-P353 HydrophobicContact CE1-CB 3.82Å; Y275-P353 HydrophobicContact CE1-CG 3.74Å
276	N	89.8	Confident	97.1	Very high	95 Å²	95	19 Å²	19	51%	0.508	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	53.6	177.9	-166.7	18.7	0	0	0	113.3	D221 M223 S278	D221-N276 PolarHBondContact OD1-N 3.38Å; D221-N276 PolarHBondContact OD2-N 3.46Å; D221-N276 VanDerWaalsContact OD2-N 3.12Å; M223-N276 HydrophobicContact CB-CB 4.24Å; N276-S278 PolarHBondContact O-N 3.31Å
277	G	91.9	Very high	97	Very high	13 Å²	13	18.7 Å²	18.7	13%	0.134	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	7.6	173.9	0	0	0	0	0	114.7	D221 Y275 H293 F294	D221-G277 PolarHBondContact OD2-N 3.06Å; Y275-G277 PolarHBondContact O-N 3.38Å; G277-H293 PolarHBondContact O-CD2 3.5Å; G277-F294 WeakPolarHBondContact O-CD2 3.13Å; G277-F294 PolarHBondContact O-N 2.89Å
278	S	96.4	Very high	97	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.7	178.8	-54.7	0	0	0	0	111.2	V274 Y275 N276 K291 Y292	V274-S278 WeakPolarHBondContact CA-O 3.21Å; Y275-S278 PolarHBondContact N-O 3.26Å; Y275-S278 PolarHBondContact O-N 2.91Å; N276-S278 PolarHBondContact O-N 3.31Å; S278-K291 WeakPolarHBondContact OG-CE 3.23Å; S278-Y292 CarbonylContact C-O 3.54Å; S278-Y292 VanDerWaalsContact CA-O 3.23Å; S278-Y292 WeakPolarHBondContact CA-O 3.42Å; S278-Y292 WeakPolarHBondContact CB-O 3.36Å
279	L	98.5	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131	167.7	-177.1	67.8	0	0	0	109.7	M234 V243 L263 H272 V274 Y281 K291 Y292 F294	M234-L279 HydrophobicContact SD-CD1 3.75Å; M234-L279 HydrophobicContact SD-CD2 4.46Å; V243-L279 HydrophobicContact CG2-CD2 3.86Å; L263-L279 HydrophobicContact CD1-CD2 3.79Å; L263-L279 HydrophobicContact CD2-CD2 4.03Å; H272-L279 HydrophobicContact CB-CD1 4.07Å; V274-L279 HydrophobicContact CG2-CD1 3.83Å; L279-Y281 HydrophobicContact CD2-CD1 3.98Å; L279-Y281 HydrophobicContact CD2-CE1 4.47Å; L279-Y281 HydrophobicContact CG-CD1 4.05Å; L279-K291 WeakPolarHBondContact O-CA 3.37Å; L279-Y292 PolarHBondContact N-O 2.85Å; L279-Y292 PolarHBondContact O-N 3.17Å; L279-F294 HydrophobicContact CB-CE1 4.38Å; L279-F294 HydrophobicContact CB-CE2 3.84Å; L279-F294 HydrophobicContact CB-CZ 3.62Å; L279-F294 HydrophobicContact CD1-CZ 4.42Å; L279-F294 HydrophobicContact CD2-CZ 4.41Å; L279-F294 HydrophobicContact CG-CZ 4.38Å
280	Y	98.7	Very high	97.1	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.008	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.5	170.8	-57.5	-107.1	0	0	0	108.1	H272 V273 Y275 I290 K291 L333 P353 L356	H272-Y280 WeakPolarHBondContact CA-O 3.22Å; V273-Y280 HydrophobicContact CG1-CD2 4.3Å; V273-Y280 HydrophobicContact CG1-CG 4.34Å; V273-Y280 PolarHBondContact N-O 3.05Å; V273-Y280 PolarHBondContact O-N 2.75Å; Y275-Y280 HydrophobicContact CD1-CE2 4.48Å; Y275-Y280 HydrophobicContact CG-CE2 4.49Å; Y275-Y280 WeakPolarHBondContact O-CE2 3.5Å; Y280-I290 VanDerWaalsContact CA-O 3.28Å; Y280-I290 WeakPolarHBondContact CA-O 3.42Å; Y280-K291 HydrophobicContact CD1-CB 4.1Å; Y280-K291 HydrophobicContact CD1-CG 4.26Å; Y280-K291 HydrophobicContact CE1-CB 3.93Å; Y280-K291 HydrophobicContact CE1-CD 3.71Å; Y280-K291 HydrophobicContact CE1-CG 3.71Å; Y280-K291 HydrophobicContact CE2-CG 4.49Å; Y280-K291 WeakPolarHBondContact OH-CE 3.34Å; Y280-K291 PolarHBondContact OH-NZ 3.08Å; Y280-K291 VanDerWaalsContact OH-NZ 3.17Å; Y280-L333 HydrophobicContact CD1-CD2 3.68Å; Y280-L333 HydrophobicContact CE1-CD2 3.66Å; Y280-L333 HydrophobicContact CG-CD2 4.24Å; Y280-P353 WeakPolarHBondContact CE1-O 3.42Å; Y280-P353 PolarHBondContact OH-O 3.15Å; Y280-L356 HydrophobicContact CD1-CD2 3.6Å; Y280-L356 HydrophobicContact CE1-CD2 3.58Å
281	Y	98.7	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	156.4	-176.7	69.7	-82.3	0	0	0	112.2	L263 H265 W267 H272 L279 I290	L263-Y281 HydrophobicContact CD1-CD1 4.34Å; L263-Y281 HydrophobicContact CD1-CE1 3.92Å; L263-Y281 HydrophobicContact CD1-CE2 4.19Å; H265-Y281 WeakPolarHBondContact O-CE2 3.34Å; H265-Y281 PolarHBondContact O-OH 2.86Å; W267-Y281 HydrophobicContact CB-CD2 3.61Å; W267-Y281 HydrophobicContact CB-CE2 4.19Å; W267-Y281 HydrophobicContact CB-CG 4.48Å; H272-Y281 VanDerWaalsContact CD2-CB 3.49Å; H272-Y281 WeakPolarHBondContact CD2-CB 3.28Å; L279-Y281 HydrophobicContact CD2-CD1 3.98Å; L279-Y281 HydrophobicContact CD2-CE1 4.47Å; L279-Y281 HydrophobicContact CG-CD1 4.05Å; Y281-I290 HydrophobicContact CD1-CB 4.05Å; Y281-I290 HydrophobicContact CD1-CG2 4.26Å; Y281-I290 HydrophobicContact CE1-CB 3.62Å; Y281-I290 HydrophobicContact CE1-CD1 4.45Å; Y281-I290 HydrophobicContact CE1-CG2 3.46Å; Y281-I290 VanDerWaalsContact CE1-CG2 3.46Å; Y281-I290 HydrophobicContact CE2-CB 4.28Å; Y281-I290 HydrophobicContact CE2-CD1 3.9Å; Y281-I290 PolarHBondContact N-O 3.29Å; Y281-I290 VanDerWaalsContact N-O 3.1Å; Y281-I290 PolarHBondContact O-N 3.46Å
282	N	98.6	Very high	97.1	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.4	173.5	175.7	-127.5	0	0	0	111.2	W267 A268 S286 I288 I324	W267-N282 CarbonylContact C-O 3.51Å; W267-N282 WeakPolarHBondContact CA-O 3.41Å; A268-N282 PolarHBondContact N-O 3.09Å; N282-S286 PolarHBondContact ND2-O 2.82Å; N282-S286 PolarHBondContact OD1-O 2.84Å; N282-I288 PolarHBondContact ND2-O 3.23Å; N282-I288 VanDerWaalsContact ND2-O 3.17Å; N282-I324 HydrophobicContact CB-CB 4.2Å; N282-I324 HydrophobicContact CB-CG2 4.32Å
283	K	98.5	Very high	97	Very high	52 Å²	52	23.7 Å²	23.7	23%	0.226	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-68.9	130	174.9	-179.9	-175.3	-170.2	170.4	0	110.5	H265 Q285 S286 I288 I290	H265-K283 HydrophobicContact CB-CG 4.24Å; K283-Q285 PolarHBondContact O-N 3.26Å; K283-S286 VanDerWaalsContact CB-OG 3.31Å; K283-S286 WeakPolarHBondContact CB-OG 3.46Å; K283-S286 PolarHBondContact O-N 3.24Å; K283-S286 VanDerWaalsContact O-N 3.16Å; K283-S286 PolarHBondContact O-OG 2.84Å; K283-I288 HydrophobicContact CB-CB 4.2Å; K283-I288 HydrophobicContact CB-CG2 4.49Å; K283-I288 WeakPolarHBondContact CB-O 3.46Å; K283-I288 HydrophobicContact CD-CB 4.28Å; K283-I288 HydrophobicContact CD-CD1 4.4Å; K283-I288 HydrophobicContact CD-CG2 4.35Å; K283-I288 PolarHBondContact N-O 3.36Å; K283-I290 HydrophobicContact CB-CD1 3.64Å; K283-I290 HydrophobicContact CB-CG1 4.01Å; K283-I290 HydrophobicContact CD-CD1 4.03Å; K283-I290 HydrophobicContact CG-CD1 3.9Å
284	Y	98.1	Very high	96.9	Very high	32 Å²	32	23.7 Å²	23.7	13%	0.125	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	135.1	179.4	-179.9	-108.5	0	0	0	113.2	F238 K239 P266 A268 S286	F238-Y284 AromaticContact CD2-CE2 3.82Å; F238-Y284 HydrophobicContact CD2-CE2 3.82Å; F238-Y284 AromaticContact CE2-CE2 3.47Å; F238-Y284 HydrophobicContact CE2-CE2 3.47Å; F238-Y284 VanDerWaalsContact CE2-CE2 3.47Å; F238-Y284 AromaticContact CE2-CZ 3.83Å; F238-Y284 VanDerWaalsContact CE2-OH 3.32Å; F238-Y284 WeakPolarHBondContact CE2-OH 3.47Å; F238-Y284 AromaticContact CZ-CE2 3.97Å; F238-Y284 HydrophobicContact CZ-CE2 3.97Å; F238-Y284 AromaticContact CZ-CZ 3.9Å; F238-Y284 WeakPolarHBondContact CZ-OH 3.45Å; K239-Y284 HydrophobicContact CD-CE1 4.11Å; K239-Y284 HydrophobicContact CD-CE2 4.5Å; K239-Y284 WeakPolarHBondContact CE-OH 3.3Å; K239-Y284 HydrophobicContact CG-CD1 4.06Å; K239-Y284 HydrophobicContact CG-CD2 3.85Å; K239-Y284 HydrophobicContact CG-CE1 3.76Å; K239-Y284 HydrophobicContact CG-CE2 3.56Å; K239-Y284 HydrophobicContact CG-CG 4.1Å; P266-Y284 HydrophobicContact CG-CD1 4.39Å; P266-Y284 HydrophobicContact CG-CG 4.35Å; P266-Y284 WeakPolarHBondContact O-CB 3.49Å; P266-Y284 PolarHBondContact O-N 2.84Å; A268-Y284 HydrophobicContact CB-CD2 4.3Å; Y284-S286 PolarHBondContact O-N 3.42Å
285	Q	95.6	Very high	96.6	Very high	107 Å²	107	34.5 Å²	34.5	50%	0.5	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	32.9	-179.6	-77.5	-179.9	-30.5	0	0	114.4	K283 Y310	K283-Q285 PolarHBondContact O-N 3.26Å; Q285-Y310 VanDerWaalsContact O-CE2 3.29Å; Q285-Y310 WeakPolarHBondContact O-CE2 3.2Å
286	S	97.4	Very high	96.6	Very high	16 Å²	16	36.5 Å²	36.5	11%	0.112	18%	0.175	C	C	.	.	S	Bend	trans	-151.6	167.4	176.2	73.3	0	0	0	0	111.7	N282 K283 Y284 I288 Y310	N282-S286 PolarHBondContact ND2-O 2.82Å; N282-S286 PolarHBondContact OD1-O 2.84Å; K283-S286 VanDerWaalsContact CB-OG 3.31Å; K283-S286 WeakPolarHBondContact CB-OG 3.46Å; K283-S286 PolarHBondContact O-N 3.24Å; K283-S286 VanDerWaalsContact O-N 3.16Å; K283-S286 PolarHBondContact O-OG 2.84Å; Y284-S286 PolarHBondContact O-N 3.42Å; S286-I288 VanDerWaalsContact C-N 3.28Å; S286-I288 PolarHBondContact OG-N 3.08Å; S286-Y310 WeakPolarHBondContact O-CB 3.44Å
287	N	97.3	Very high	96.9	Very high	29 Å²	29	39.4 Å²	39.4	16%	0.155	18%	0.179	C	C	.	.	S	Bend	trans	-93.1	24.5	167.5	63.1	-9.3	0	0	0	112.6	S304 L305 A308 Y310 I324	N287-S304 VanDerWaalsContact CG-OG 3.29Å; N287-S304 PolarHBondContact ND2-OG 3.01Å; N287-S304 VanDerWaalsContact ND2-OG 3.17Å; N287-S304 PolarHBondContact OD1-OG 2.64Å; N287-L305 PolarHBondContact ND2-O 2.52Å; N287-L305 PolarHBondContact O-N 3.5Å; N287-A308 HydrophobicContact CB-CB 4.11Å; N287-Y310 HydrophobicContact CB-CD1 3.91Å; N287-Y310 HydrophobicContact CB-CG 4.49Å; N287-I324 HydrophobicContact CB-CD1 4.08Å
288	I	98.6	Very high	97.1	Very high	42 Å²	42	40.8 Å²	40.8	22%	0.215	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.2	-177.2	-63.5	172.8	0	0	0	109.5	N282 K283 S286 I290 Q302 R303	N282-I288 PolarHBondContact ND2-O 3.23Å; N282-I288 VanDerWaalsContact ND2-O 3.17Å; K283-I288 HydrophobicContact CB-CB 4.2Å; K283-I288 HydrophobicContact CB-CG2 4.49Å; K283-I288 WeakPolarHBondContact CB-O 3.46Å; K283-I288 HydrophobicContact CD-CB 4.28Å; K283-I288 HydrophobicContact CD-CD1 4.4Å; K283-I288 HydrophobicContact CD-CG2 4.35Å; K283-I288 PolarHBondContact N-O 3.36Å; S286-I288 VanDerWaalsContact C-N 3.28Å; S286-I288 PolarHBondContact OG-N 3.08Å; I288-I290 HydrophobicContact CG2-CG1 4.36Å; I288-Q302 HydrophobicContact CG2-CB 3.92Å; I288-R303 CarbonylContact C-O 3.52Å; I288-R303 WeakPolarHBondContact CA-O 3.35Å
289	I	98.6	Very high	97.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.3	166.2	-59.1	167.2	0	0	0	108.4	Q302 R303 L305 L326 A335 L351 L356	I289-Q302 WeakPolarHBondContact O-CA 3.43Å; I289-R303 PolarHBondContact N-O 2.83Å; I289-R303 PolarHBondContact O-N 2.84Å; I289-L305 HydrophobicContact CD1-CD1 3.65Å; I289-L305 HydrophobicContact CD1-CD2 3.81Å; I289-L305 HydrophobicContact CD1-CG 3.56Å; I289-L305 HydrophobicContact CG1-CD1 4.06Å; I289-L305 HydrophobicContact CG1-CG 4.05Å; I289-L326 HydrophobicContact CD1-CD2 3.67Å; I289-L326 HydrophobicContact CG1-CD1 4.35Å; I289-L326 HydrophobicContact CG1-CD2 4.06Å; I289-L326 HydrophobicContact CG2-CD1 3.72Å; I289-L326 HydrophobicContact CG2-CD2 4.45Å; I289-A335 HydrophobicContact CD1-CB 4.41Å; I289-L351 HydrophobicContact CD1-CD1 3.65Å; I289-L356 HydrophobicContact CB-CD1 4.07Å; I289-L356 HydrophobicContact CG2-CD1 3.78Å; I289-L356 HydrophobicContact CG2-CD2 4.32Å
290	I	98.6	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.9	174.7	-62.1	-177.9	0	0	0	109.1	H265 Y280 Y281 K283 I288 V299 Q302	H265-I290 HydrophobicContact CB-CD1 3.64Å; Y280-I290 VanDerWaalsContact CA-O 3.28Å; Y280-I290 WeakPolarHBondContact CA-O 3.42Å; Y281-I290 HydrophobicContact CD1-CB 4.05Å; Y281-I290 HydrophobicContact CD1-CG2 4.26Å; Y281-I290 HydrophobicContact CE1-CB 3.62Å; Y281-I290 HydrophobicContact CE1-CD1 4.45Å; Y281-I290 HydrophobicContact CE1-CG2 3.46Å; Y281-I290 VanDerWaalsContact CE1-CG2 3.46Å; Y281-I290 HydrophobicContact CE2-CB 4.28Å; Y281-I290 HydrophobicContact CE2-CD1 3.9Å; Y281-I290 PolarHBondContact N-O 3.29Å; Y281-I290 VanDerWaalsContact N-O 3.1Å; Y281-I290 PolarHBondContact O-N 3.46Å; K283-I290 HydrophobicContact CB-CD1 3.64Å; K283-I290 HydrophobicContact CB-CG1 4.01Å; K283-I290 HydrophobicContact CD-CD1 4.03Å; K283-I290 HydrophobicContact CG-CD1 3.9Å; I288-I290 HydrophobicContact CG2-CG1 4.36Å; I290-V299 HydrophobicContact CG2-CB 4.39Å; I290-V299 HydrophobicContact CG2-CG1 3.8Å; I290-V299 HydrophobicContact CG2-CG2 3.77Å; I290-Q302 HydrophobicContact CG1-CG 4.04Å
291	K	98.5	Very high	97	Very high	20 Å²	20	48.3 Å²	48.3	9%	0.087	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.2	164.2	179	179.4	-177.6	164.9	0	109.8	S278 L279 Y280 V299 L300 V301 P353 L356	S278-K291 WeakPolarHBondContact OG-CE 3.23Å; L279-K291 WeakPolarHBondContact O-CA 3.37Å; Y280-K291 HydrophobicContact CD1-CB 4.1Å; Y280-K291 HydrophobicContact CD1-CG 4.26Å; Y280-K291 HydrophobicContact CE1-CB 3.93Å; Y280-K291 HydrophobicContact CE1-CD 3.71Å; Y280-K291 HydrophobicContact CE1-CG 3.71Å; Y280-K291 HydrophobicContact CE2-CG 4.49Å; Y280-K291 WeakPolarHBondContact OH-CE 3.34Å; Y280-K291 PolarHBondContact OH-NZ 3.08Å; Y280-K291 VanDerWaalsContact OH-NZ 3.17Å; K291-V299 WeakPolarHBondContact O-CA 3.5Å; K291-L300 HydrophobicContact CD-CB 4.35Å; K291-L300 HydrophobicContact CG-CB 4.4Å; K291-L300 PolarHBondContact O-N 2.62Å; K291-V301 HydrophobicContact CB-CB 4.27Å; K291-V301 PolarHBondContact N-O 2.86Å; K291-P353 PolarHBondContact NZ-O 2.89Å; K291-L356 HydrophobicContact CB-CD1 4.41Å
292	Y	98.5	Very high	97	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.5	176.1	173.6	-91.5	0	0	0	110.4	H261 L263 P264 S278 L279 F294 R297 V299	H261-Y292 HydrophobicContact CB-CE1 4.46Å; L263-Y292 HydrophobicContact CD2-CD1 3.55Å; L263-Y292 HydrophobicContact CD2-CD2 3.97Å; L263-Y292 HydrophobicContact CD2-CE1 3.76Å; L263-Y292 HydrophobicContact CD2-CE2 4.15Å; L263-Y292 HydrophobicContact CD2-CG 3.66Å; P264-Y292 HydrophobicContact CG-CE2 4.46Å; S278-Y292 CarbonylContact C-O 3.54Å; S278-Y292 VanDerWaalsContact CA-O 3.23Å; S278-Y292 WeakPolarHBondContact CA-O 3.42Å; S278-Y292 WeakPolarHBondContact CB-O 3.36Å; L279-Y292 PolarHBondContact N-O 2.85Å; L279-Y292 PolarHBondContact O-N 3.17Å; Y292-F294 HydrophobicContact CD1-CD1 4.23Å; Y292-F294 HydrophobicContact CD1-CE1 4.38Å; Y292-F294 AromaticContact CE1-CD1 3.87Å; Y292-F294 HydrophobicContact CE1-CD1 3.87Å; Y292-F294 HydrophobicContact CE1-CE1 4.27Å; Y292-R297 VanDerWaalsContact CE2-C 3.49Å; Y292-R297 VanDerWaalsContact OH-CA 3.32Å; Y292-R297 WeakPolarHBondContact OH-CA 3.4Å; Y292-R297 WeakPolarHBondContact OH-CB 3.38Å; Y292-V299 HydrophobicContact CD2-CG2 4.31Å
293	H	96.3	Very high	96.9	Very high	51 Å²	51	56.3 Å²	56.3	24%	0.236	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.5	-178.2	178.7	-113.5	0	0	0	111.2	G277 R295 S296 R297 S298 L300	G277-H293 PolarHBondContact O-CD2 3.5Å; H293-R295 PolarHBondContact O-N 3.5Å; H293-S296 WeakPolarHBondContact ND1-CB 3.32Å; H293-S296 PolarHBondContact ND1-N 2.84Å; H293-S296 PolarHBondContact ND1-OG 2.9Å; H293-R297 WeakPolarHBondContact O-CA 3.48Å; H293-R297 PolarHBondContact O-N 2.82Å; H293-S298 PolarHBondContact N-O 2.89Å; H293-S298 PolarHBondContact O-N 3.48Å; H293-L300 HydrophobicContact CB-CD1 3.54Å; H293-L300 HydrophobicContact CB-CD2 4.27Å; H293-L300 HydrophobicContact CB-CG 3.73Å
294	F	95	Very high	96.9	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-38.5	-170.5	-73.5	-69	0	0	0	113.5	W232 V243 H261 V274 G277 L279 Y292 R297	W232-F294 AromaticContact CD1-CE1 3.6Å; W232-F294 AromaticContact CD1-CE2 3.76Å; W232-F294 AromaticContact CD1-CZ 3.26Å; W232-F294 HydrophobicContact CD2-CE2 4.49Å; W232-F294 AromaticContact CE2-CE2 3.93Å; W232-F294 HydrophobicContact CG-CE2 4.38Å; W232-F294 HydrophobicContact CG-CZ 4.05Å; W232-F294 HydrophobicContact CZ2-CD2 4.46Å; W232-F294 AromaticContact NE1-CD1 3.93Å; W232-F294 AromaticContact NE1-CD2 3.74Å; W232-F294 AromaticContact NE1-CE1 3.65Å; W232-F294 AromaticContact NE1-CE2 3.44Å; W232-F294 AromaticContact NE1-CG 3.97Å; W232-F294 AromaticContact NE1-CZ 3.38Å; V243-F294 HydrophobicContact CG1-CE1 4.03Å; V243-F294 HydrophobicContact CG1-CZ 4.27Å; H261-F294 AromaticContact CD2-CD1 3.75Å; H261-F294 AromaticContact CE1-CD1 3.77Å; H261-F294 AromaticContact CG-CD1 3.86Å; H261-F294 AromaticContact ND1-CD1 3.9Å; H261-F294 AromaticContact NE2-CD1 3.69Å; V274-F294 HydrophobicContact CG1-CE2 3.97Å; V274-F294 HydrophobicContact CG2-CE2 3.97Å; V274-F294 HydrophobicContact CG2-CZ 4.21Å; G277-F294 WeakPolarHBondContact O-CD2 3.13Å; G277-F294 PolarHBondContact O-N 2.89Å; L279-F294 HydrophobicContact CB-CE1 4.38Å; L279-F294 HydrophobicContact CB-CE2 3.84Å; L279-F294 HydrophobicContact CB-CZ 3.62Å; L279-F294 HydrophobicContact CD1-CZ 4.42Å; L279-F294 HydrophobicContact CD2-CZ 4.41Å; L279-F294 HydrophobicContact CG-CZ 4.38Å; Y292-F294 HydrophobicContact CD1-CD1 4.23Å; Y292-F294 HydrophobicContact CD1-CE1 4.38Å; Y292-F294 AromaticContact CE1-CD1 3.87Å; Y292-F294 HydrophobicContact CE1-CD1 3.87Å; Y292-F294 HydrophobicContact CE1-CE1 4.27Å; F294-R297 WeakPolarHBondContact O-CG 3.04Å
295	R	91	Very high	96.8	Very high	227 Å²	227	54.9 Å²	54.9	86%	0.857	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-44.3	-176.8	175.3	-180	-91.8	-174.3	-5.1	112.3	H293 R297	H293-R295 PolarHBondContact O-N 3.5Å; R295-R297 VanDerWaalsContact C-N 3.32Å
296	S	93.9	Very high	96.6	Very high	61 Å²	61	54.4 Å²	54.4	43%	0.427	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.1	177.4	62.2	0	0	0	0	113.2	H293 S298	H293-S296 WeakPolarHBondContact ND1-CB 3.32Å; H293-S296 PolarHBondContact ND1-N 2.84Å; H293-S296 PolarHBondContact ND1-OG 2.9Å; S296-S298 PolarHBondContact O-N 2.81Å; S296-S298 PolarHBondContact OG-OG 3.29Å
297	R	96	Very high	96.3	Very high	157 Å²	157	56 Å²	56	59%	0.592	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	38.5	-177.3	-57.9	-177.1	177.4	-165.7	-1.4	113.1	Y292 H293 F294 R295	Y292-R297 VanDerWaalsContact CE2-C 3.49Å; Y292-R297 VanDerWaalsContact OH-CA 3.32Å; Y292-R297 WeakPolarHBondContact OH-CA 3.4Å; Y292-R297 WeakPolarHBondContact OH-CB 3.38Å; H293-R297 WeakPolarHBondContact O-CA 3.48Å; H293-R297 PolarHBondContact O-N 2.82Å; F294-R297 WeakPolarHBondContact O-CG 3.04Å; R295-R297 VanDerWaalsContact C-N 3.32Å
298	S	95.6	Very high	96.2	Very high	41 Å²	41	54.9 Å²	54.9	29%	0.287	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.5	-174	64.9	0	0	0	0	111.4	H293 S296 L300	H293-S298 PolarHBondContact N-O 2.89Å; H293-S298 PolarHBondContact O-N 3.48Å; S296-S298 PolarHBondContact O-N 2.81Å; S296-S298 PolarHBondContact OG-OG 3.29Å; S298-L300 PolarHBondContact O-N 3.44Å
299	V	98.3	Very high	96.1	Very high	39 Å²	39	53.1 Å²	53.1	24%	0.236	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.4	165.9	172.7	0	0	0	0	107.8	P264 I290 K291 Y292 Q302	P264-V299 HydrophobicContact CB-CG2 4.48Å; P264-V299 HydrophobicContact CG-CG2 4.06Å; I290-V299 HydrophobicContact CG2-CB 4.39Å; I290-V299 HydrophobicContact CG2-CG1 3.8Å; I290-V299 HydrophobicContact CG2-CG2 3.77Å; K291-V299 WeakPolarHBondContact O-CA 3.5Å; Y292-V299 HydrophobicContact CD2-CG2 4.31Å; V299-Q302 HydrophobicContact CG1-CG 3.57Å
300	L	96.8	Very high	96	Very high	89 Å²	89	57.7 Å²	57.7	47%	0.466	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-43	177.5	-62.4	-174.3	0	0	0	111.4	K291 H293 S298	K291-L300 HydrophobicContact CD-CB 4.35Å; K291-L300 HydrophobicContact CG-CB 4.4Å; K291-L300 PolarHBondContact O-N 2.62Å; H293-L300 HydrophobicContact CB-CD1 3.54Å; H293-L300 HydrophobicContact CB-CD2 4.27Å; H293-L300 HydrophobicContact CB-CG 3.73Å; S298-L300 PolarHBondContact O-N 3.44Å
301	V	97.2	Very high	95.8	Very high	36 Å²	36	61.3 Å²	61.3	22%	0.218	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	143	-177.1	-178	0	0	0	0	110.2	K291 Q354 L356	K291-V301 HydrophobicContact CB-CB 4.27Å; K291-V301 PolarHBondContact N-O 2.86Å; V301-Q354 WeakPolarHBondContact CG2-O 3.42Å; V301-L356 HydrophobicContact CB-CD1 4.25Å; V301-L356 HydrophobicContact CB-CG 4.45Å; V301-L356 HydrophobicContact CG1-CB 4.44Å; V301-L356 HydrophobicContact CG1-CD1 3.86Å; V301-L356 HydrophobicContact CG1-CG 3.99Å
302	Q	98.1	Very high	95.7	Very high	83 Å²	83	63.7 Å²	63.7	39%	0.388	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.9	165	-57	-170.8	54.3	0	0	108	I288 I289 I290 V299	I288-Q302 HydrophobicContact CG2-CB 3.92Å; I289-Q302 WeakPolarHBondContact O-CA 3.43Å; I290-Q302 HydrophobicContact CG1-CG 4.04Å; V299-Q302 HydrophobicContact CG1-CG 3.57Å
303	R	98.1	Very high	95.5	Very high	87 Å²	87	66 Å²	66	33%	0.328	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	137.4	177.4	-168.8	172.8	-70.8	-115	9.7	111.4	I288 I289 S355 L356 E357	I288-R303 CarbonylContact C-O 3.52Å; I288-R303 WeakPolarHBondContact CA-O 3.35Å; I289-R303 PolarHBondContact N-O 2.83Å; I289-R303 PolarHBondContact O-N 2.84Å; R303-S355 VanDerWaalsContact CZ-O 3.32Å; R303-S355 PolarHBondContact NE-O 2.78Å; R303-S355 PolarHBondContact NH2-O 2.91Å; R303-S355 VanDerWaalsContact NH2-O 3.09Å; R303-L356 HydrophobicContact CB-CB 3.84Å; R303-L356 HydrophobicContact CB-CD1 4.17Å; R303-L356 VanDerWaalsContact CD-O 3.26Å; R303-L356 WeakPolarHBondContact CD-O 3.4Å; R303-E357 IonicContact CZ-OE1 3.15Å; R303-E357 IonicContact NH1-OE1 2.86Å; R303-E357 PolarHBondContact NH1-OE1 2.81Å; R303-E357 VanDerWaalsContact NH1-OE1 3.15Å; R303-E357 IonicContact NH2-OE1 3.01Å; R303-E357 PolarHBondContact NH2-OE1 2.81Å
304	S	97.6	Very high	95.5	Very high	50 Å²	50	65.5 Å²	65.5	35%	0.35	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.7	174	-176.4	0	0	0	0	110.4	N287 S306	N287-S304 VanDerWaalsContact CG-OG 3.29Å; N287-S304 PolarHBondContact ND2-OG 3.01Å; N287-S304 VanDerWaalsContact ND2-OG 3.17Å; N287-S304 PolarHBondContact OD1-OG 2.64Å; S304-S306 PolarHBondContact O-N 3.47Å
305	L	95.8	Very high	95.6	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.021	34%	0.343	C	S	.	.			trans	-79.9	90.2	161	-73.5	177.7	0	0	0	108.2	N287 I289 G307 A308 I324 A335 Y337 L351 I358	N287-L305 PolarHBondContact ND2-O 2.52Å; N287-L305 PolarHBondContact O-N 3.5Å; I289-L305 HydrophobicContact CD1-CD1 3.65Å; I289-L305 HydrophobicContact CD1-CD2 3.81Å; I289-L305 HydrophobicContact CD1-CG 3.56Å; I289-L305 HydrophobicContact CG1-CD1 4.06Å; I289-L305 HydrophobicContact CG1-CG 4.05Å; L305-G307 PolarHBondContact O-N 2.97Å; L305-A308 HydrophobicContact CB-CB 3.65Å; L305-A308 HydrophobicContact CD1-CB 4.44Å; L305-A308 WeakPolarHBondContact O-CB 3.29Å; L305-A308 PolarHBondContact O-N 2.99Å; L305-I324 HydrophobicContact CD1-CD1 4.18Å; L305-I324 HydrophobicContact CD1-CG1 4.24Å; L305-I324 HydrophobicContact CD1-CG2 3.8Å; L305-A335 HydrophobicContact CD1-CB 4.09Å; L305-A335 HydrophobicContact CD2-CB 4.48Å; L305-Y337 HydrophobicContact CD1-CD1 3.91Å; L305-Y337 HydrophobicContact CD1-CE1 4.24Å; L305-Y337 HydrophobicContact CD1-CG 4.14Å; L305-Y337 HydrophobicContact CD2-CE1 4.31Å; L305-L351 HydrophobicContact CD2-CD2 4.41Å; L305-I358 HydrophobicContact CD2-CD1 4Å; L305-I358 HydrophobicContact CD2-CG1 4.28Å
306	S	90.9	Very high	96	Very high	97 Å²	97	55.1 Å²	55.1	68%	0.678	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	128.6	-176.8	-60	0	0	0	0	111.8	S304 A308	S304-S306 PolarHBondContact O-N 3.47Å; S306-A308 PolarHBondContact O-N 3.34Å
307	G	91.2	Very high	96.2	Very high	50 Å²	50	54.4 Å²	54.4	52%	0.515	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-4.4	-179.3	0	0	0	0	0	115.6	L305 T339	L305-G307 PolarHBondContact O-N 2.97Å; G307-T339 WeakPolarHBondContact O-CA 3.2Å; G307-T339 WeakPolarHBondContact O-CB 3.46Å
308	A	96.6	Very high	96.3	Very high	6 Å²	6	48.1 Å²	48.1	5%	0.05	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-68.5	135.1	177.3	0	0	0	0	0	112.2	N287 L305 S306 I324 Y337 T338	N287-A308 HydrophobicContact CB-CB 4.11Å; L305-A308 HydrophobicContact CB-CB 3.65Å; L305-A308 HydrophobicContact CD1-CB 4.44Å; L305-A308 WeakPolarHBondContact O-CB 3.29Å; L305-A308 PolarHBondContact O-N 2.99Å; S306-A308 PolarHBondContact O-N 3.34Å; A308-I324 HydrophobicContact CB-CD1 4.27Å; A308-I324 HydrophobicContact CB-CG1 4.46Å; A308-Y337 HydrophobicContact CB-CD2 3.37Å; A308-Y337 HydrophobicContact CB-CE2 3.89Å; A308-Y337 HydrophobicContact CB-CG 4.1Å; A308-T338 CarbonylContact C-O 3.58Å; A308-T338 VanDerWaalsContact CA-O 3.23Å; A308-T338 WeakPolarHBondContact CA-O 3.49Å
309	G	95.3	Very high	96.4	Very high	4 Å²	4	47 Å²	47	4%	0.041	27%	0.269	C	S	.	.			trans	-65	148.9	169.3	0	0	0	0	0	111.4	D323 T338	G309-D323 WeakPolarHBondContact O-CB 3.3Å; G309-T338 PolarHBondContact N-O 2.92Å
310	Y	96.2	Very high	96.3	Very high	98 Å²	98	45.6 Å²	45.6	38%	0.384	26%	0.262	S	S	.	.			trans	-151.6	168.9	176.6	63.8	-85.2	0	0	0	110.3	Q285 S286 N287 T313	Q285-Y310 VanDerWaalsContact O-CE2 3.29Å; Q285-Y310 WeakPolarHBondContact O-CE2 3.2Å; S286-Y310 WeakPolarHBondContact O-CB 3.44Å; N287-Y310 HydrophobicContact CB-CD1 3.91Å; N287-Y310 HydrophobicContact CB-CG 4.49Å; Y310-T313 WeakPolarHBondContact O-CB 3.27Å; Y310-T313 PolarHBondContact O-N 2.76Å; Y310-T313 PolarHBondContact O-OG1 2.82Å
311	N	95	Very high	96.3	Very high	76 Å²	76	41.4 Å²	41.4	41%	0.406	24%	0.241	S	C	.	.	S	Bend	trans	61.4	49.8	175.9	-168.2	53.7	0	0	0	113.7	T313 D323	N311-T313 VanDerWaalsContact C-N 3.28Å; N311-T313 PolarHBondContact O-N 3Å; N311-D323 PolarHBondContact N-OD2 2.79Å; N311-D323 VanDerWaalsContact N-OD2 3.1Å
312	N	95.7	Very high	96.4	Very high	71 Å²	71	39.8 Å²	39.8	38%	0.38	23%	0.231	S	C	.	.	S	Bend	trans	61.3	30.1	-176.8	-70	-53.6	0	0	0	114.1	P315 G320 S321 D323	N312-P315 HydrophobicContact CB-CG 4.34Å; N312-G320 PolarHBondContact OD1-N 3.29Å; N312-S321 PolarHBondContact ND2-OG 2.84Å; N312-S321 WeakPolarHBondContact OD1-CA 3.36Å; N312-S321 PolarHBondContact OD1-N 2.84Å; N312-D323 WeakPolarHBondContact CA-OD1 3.46Å; N312-D323 WeakPolarHBondContact CA-OD2 3.3Å; N312-D323 PolarHBondContact N-OD1 2.92Å; N312-D323 PolarHBondContact N-OD2 2.82Å
313	T	95.6	Very high	96.4	Very high	53 Å²	53	35.9 Å²	35.9	33%	0.325	21%	0.213	S	C	.	.	S	Bend	trans	-71.3	-48.3	173	-59.3	0	0	0	0	110.3	Y310 N311 D323 R369	Y310-T313 WeakPolarHBondContact O-CB 3.27Å; Y310-T313 PolarHBondContact O-N 2.76Å; Y310-T313 PolarHBondContact O-OG1 2.82Å; N311-T313 VanDerWaalsContact C-N 3.28Å; N311-T313 PolarHBondContact O-N 3Å; T313-D323 PolarHBondContact N-OD1 3.45Å; T313-R369 PolarHBondContact O-NE 2.72Å; T313-R369 PolarHBondContact O-NH2 2.82Å
314	F	95.7	Very high	96.4	Very high	40 Å²	40	31.8 Å²	31.8	18%	0.175	20%	0.197	C	C	.	.	S	Bend	trans	-145	68.6	172.3	-59.3	-74.7	0	0	0	110.1	D323 T338 I340 R369	F314-D323 PolarHBondContact N-OD1 2.82Å; F314-T338 HydrophobicContact CB-CG2 3.77Å; F314-T338 WeakPolarHBondContact CB-OG1 3.42Å; F314-T338 HydrophobicContact CG-CG2 4.47Å; F314-I340 HydrophobicContact CE2-CG1 4.27Å; F314-R369 HydrophobicContact CD1-CG 4.4Å
315	P	97.8	Very high	96.4	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.084	18%	0.182	C	C	.	.			trans	-71.2	172.9	176.7	33.7	-35.7	0	0	0	110.4	N312 S322 R369	N312-P315 HydrophobicContact CB-CG 4.34Å; P315-S322 WeakPolarHBondContact CB-OG 3.26Å; P315-R369 WeakPolarHBondContact O-CA 3.3Å
316	Y	98.6	Very high	96.6	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.012	18%	0.181	C	C	.	.			trans	-59.6	167.5	160.8	-68.1	-56.3	0	0	0	111.3	W318 G319 S322 D325 K368 A371 G372 E373 S374	Y316-W318 PolarHBondContact O-N 2.81Å; Y316-G319 PolarHBondContact O-N 3.01Å; Y316-S322 PolarHBondContact N-OG 2.88Å; Y316-D325 HydrophobicContact CE2-CB 4.08Å; Y316-D325 WeakPolarHBondContact CE2-OD2 3.24Å; Y316-D325 PolarHBondContact OH-OD2 2.77Å; Y316-K368 HydrophobicContact CD1-CD 4.48Å; Y316-K368 HydrophobicContact CD1-CG 3.76Å; Y316-K368 VanDerWaalsContact CD1-NZ 3.25Å; Y316-K368 VanDerWaalsContact CD2-NZ 3.29Å; Y316-K368 HydrophobicContact CE1-CD 4.3Å; Y316-K368 HydrophobicContact CE1-CG 3.86Å; Y316-K368 VanDerWaalsContact CG-NZ 3.33Å; Y316-A371 HydrophobicContact CD1-CB 3.8Å; Y316-A371 HydrophobicContact CE1-CB 4.09Å; Y316-G372 WeakPolarHBondContact CB-O 3.45Å; Y316-E373 WeakPolarHBondContact CD2-OE1 3.24Å; Y316-E373 WeakPolarHBondContact CE2-OE2 3.35Å; Y316-S374 PolarHBondContact OH-OG 2.84Å
317	S	97.9	Very high	96.9	Very high	46 Å²	46	24.9 Å²	24.9	32%	0.322	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.9	-176.4	57.2	0	0	0	0	114.8	R369 A371 G372 H387	S317-R369 WeakPolarHBondContact CA-O 3.34Å; S317-R369 VanDerWaalsContact CB-O 3.27Å; S317-R369 WeakPolarHBondContact CB-O 3.1Å; S317-A371 VanDerWaalsContact CB-O 3.24Å; S317-A371 WeakPolarHBondContact CB-O 3.19Å; S317-A371 PolarHBondContact N-O 3.33Å; S317-A371 PolarHBondContact OG-O 3.17Å; S317-G372 WeakPolarHBondContact OG-CA 3.4Å; S317-H387 PolarHBondContact OG-ND1 2.86Å
318	W	97.8	Very high	97.1	Very high	25 Å²	25	22.5 Å²	22.5	10%	0.095	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.6	175.6	66.8	-96	0	0	0	114.1	F215 Y237 T270 Y316 S322 G372 E373 H387 S419	F215-W318 AromaticContact CD1-CE3 3.99Å; F215-W318 HydrophobicContact CD1-CE3 3.99Å; F215-W318 AromaticContact CD1-CZ3 3.82Å; F215-W318 HydrophobicContact CD1-CZ3 3.82Å; F215-W318 HydrophobicContact CE1-CE3 4.09Å; F215-W318 HydrophobicContact CE1-CZ3 4.29Å; Y237-W318 HydrophobicContact CD1-CZ3 4.35Å; Y237-W318 HydrophobicContact CG-CZ3 4.36Å; T270-W318 HydrophobicContact CG2-CH2 3.98Å; T270-W318 HydrophobicContact CG2-CZ2 4.41Å; T270-W318 VanDerWaalsContact OG1-CZ2 3.27Å; T270-W318 WeakPolarHBondContact OG1-CZ2 3.42Å; Y316-W318 PolarHBondContact O-N 2.81Å; W318-S322 VanDerWaalsContact CZ2-CB 3.49Å; W318-G372 VanDerWaalsContact CD1-O 3.3Å; W318-E373 PolarHBondContact NE1-OE1 3.25Å; W318-H387 HydrophobicContact CB-CB 4.14Å; W318-S419 WeakPolarHBondContact CZ2-O 3.42Å
319	G	97.6	Very high	97	Very high	17 Å²	17	22.2 Å²	22.2	18%	0.175	12%	0.122	C	C	.	.			trans	79.4	-135.4	-179.6	0	0	0	0	0	113.5	Y316 S321 S322	Y316-G319 PolarHBondContact O-N 3.01Å; G319-S321 PolarHBondContact O-N 2.89Å; G319-S322 WeakPolarHBondContact O-CB 3.17Å; G319-S322 PolarHBondContact O-N 3.27Å; G319-S322 PolarHBondContact O-OG 2.98Å
320	G	96.6	Very high	96.8	Very high	9 Å²	9	22.3 Å²	22.3	9%	0.093	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	30.8	170.5	0	0	0	0	0	116.6	Y237 G269 N312 S322	Y237-G320 VanDerWaalsContact CD2-C 3.41Å; Y237-G320 VanDerWaalsContact CD2-CA 3.42Å; Y237-G320 WeakPolarHBondContact CD2-O 3.36Å; Y237-G320 VanDerWaalsContact CE2-CA 3.45Å; G269-G320 VanDerWaalsContact CA-O 3.3Å; G269-G320 WeakPolarHBondContact CA-O 3.42Å; N312-G320 PolarHBondContact OD1-N 3.29Å; G320-S322 PolarHBondContact O-N 3.29Å
321	S	97.3	Very high	96.5	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.014	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	31.7	-178.7	-52.7	0	0	0	0	113.2	G269 N312 G319 D323	G269-S321 WeakPolarHBondContact CA-O 3.47Å; G269-S321 PolarHBondContact N-O 2.98Å; N312-S321 PolarHBondContact ND2-OG 2.84Å; N312-S321 WeakPolarHBondContact OD1-CA 3.36Å; N312-S321 PolarHBondContact OD1-N 2.84Å; G319-S321 PolarHBondContact O-N 2.89Å; S321-D323 PolarHBondContact O-N 3.06Å; S321-D323 VanDerWaalsContact O-N 3.08Å
322	S	98.1	Very high	96.4	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	34.5	176.6	58	0	0	0	0	112.4	P315 Y316 W318 G319 G320 K368	P315-S322 WeakPolarHBondContact CB-OG 3.26Å; Y316-S322 PolarHBondContact N-OG 2.88Å; W318-S322 VanDerWaalsContact CZ2-CB 3.49Å; G319-S322 WeakPolarHBondContact O-CB 3.17Å; G319-S322 PolarHBondContact O-N 3.27Å; G319-S322 PolarHBondContact O-OG 2.98Å; G320-S322 PolarHBondContact O-N 3.29Å; S322-K368 PolarHBondContact O-NZ 3.35Å
323	D	98.1	Very high	96.4	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-37.9	-175.7	-57	-95.6	0	0	0	112.2	G309 N311 N312 T313 F314 S321 Y337	G309-D323 WeakPolarHBondContact O-CB 3.3Å; N311-D323 PolarHBondContact N-OD2 2.79Å; N311-D323 VanDerWaalsContact N-OD2 3.1Å; N312-D323 WeakPolarHBondContact CA-OD1 3.46Å; N312-D323 WeakPolarHBondContact CA-OD2 3.3Å; N312-D323 PolarHBondContact N-OD1 2.92Å; N312-D323 PolarHBondContact N-OD2 2.82Å; T313-D323 PolarHBondContact N-OD1 3.45Å; F314-D323 PolarHBondContact N-OD1 2.82Å; S321-D323 PolarHBondContact O-N 3.06Å; S321-D323 VanDerWaalsContact O-N 3.08Å; D323-Y337 WeakPolarHBondContact O-CA 3.45Å
324	I	98.6	Very high	96.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	7%	0.071	C	C	.	.	S	Bend	trans	-117.9	127.1	-179.7	-64.5	163	0	0	0	108	N282 N287 L305 A308 L326	N282-I324 HydrophobicContact CB-CB 4.2Å; N282-I324 HydrophobicContact CB-CG2 4.32Å; N287-I324 HydrophobicContact CB-CD1 4.08Å; L305-I324 HydrophobicContact CD1-CD1 4.18Å; L305-I324 HydrophobicContact CD1-CG1 4.24Å; L305-I324 HydrophobicContact CD1-CG2 3.8Å; A308-I324 HydrophobicContact CB-CD1 4.27Å; A308-I324 HydrophobicContact CB-CG1 4.46Å; I324-L326 HydrophobicContact CG2-CD2 4.31Å
325	D	98.8	Very high	96.7	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.5	-175.8	-172.2	17.3	0	0	0	109.8	G271 Y316 M327 A335 V336	G271-D325 WeakPolarHBondContact CA-OD1 3.31Å; Y316-D325 HydrophobicContact CE2-CB 4.08Å; Y316-D325 WeakPolarHBondContact CE2-OD2 3.24Å; Y316-D325 PolarHBondContact OH-OD2 2.77Å; D325-M327 HydrophobicContact CB-CE 4.23Å; D325-M327 VanDerWaalsContact OD2-CE 3.24Å; D325-M327 WeakPolarHBondContact OD2-CE 3.33Å; D325-A335 CarbonylContact O-C 3.55Å; D325-A335 WeakPolarHBondContact O-CA 3.45Å; D325-V336 HydrophobicContact CB-CB 4.29Å; D325-V336 PolarHBondContact N-O 3.03Å; D325-V336 PolarHBondContact O-N 3.22Å
326	L	98.7	Very high	96.7	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.7	-174.4	-58.4	171.8	0	0	0	108.7	G271 V273 I289 I324 W334 A335 L351	G271-L326 WeakPolarHBondContact O-CB 3.26Å; G271-L326 PolarHBondContact O-N 2.87Å; V273-L326 HydrophobicContact CG1-CB 3.77Å; I289-L326 HydrophobicContact CD1-CD2 3.67Å; I289-L326 HydrophobicContact CG1-CD1 4.35Å; I289-L326 HydrophobicContact CG1-CD2 4.06Å; I289-L326 HydrophobicContact CG2-CD1 3.72Å; I289-L326 HydrophobicContact CG2-CD2 4.45Å; I324-L326 HydrophobicContact CG2-CD2 4.31Å; L326-W334 WeakPolarHBondContact CA-O 3.18Å; L326-A335 HydrophobicContact CD2-CB 3.72Å; L326-L351 HydrophobicContact CD2-CD1 4.4Å
327	M	97.6	Very high	96.7	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	165.9	-173.7	59.3	-167.3	67.2	0	0	110.7	D325 W334 V336 M376 L381	D325-M327 HydrophobicContact CB-CE 4.23Å; D325-M327 VanDerWaalsContact OD2-CE 3.24Å; D325-M327 WeakPolarHBondContact OD2-CE 3.33Å; M327-W334 HydrophobicContact CG-CB 3.98Å; M327-W334 PolarHBondContact N-O 3.07Å; M327-W334 VanDerWaalsContact N-O 3.07Å; M327-W334 PolarHBondContact O-N 2.77Å; M327-V336 HydrophobicContact CE-CB 3.82Å; M327-V336 HydrophobicContact CE-CG2 3.38Å; M327-V336 HydrophobicContact CG-CG2 4.48Å; M327-V336 HydrophobicContact SD-CG2 3.58Å; M327-V336 VanDerWaalsContact SD-CG2 3.58Å; M327-M376 HydrophobicContact CG-CB 4.23Å; M327-M376 HydrophobicContact CG-CG 3.9Å; M327-M376 HydrophobicContact SD-CB 3.94Å; M327-M376 HydrophobicContact SD-CG 3.37Å; M327-M376 WeakPolarHBondContact SD-CG 3.39Å; M327-M376 PolarHBondContact SD-N 3.24Å; M327-L381 HydrophobicContact SD-CD1 4.4Å
328	A	95.6	Very high	96.7	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.008	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.3	179	0	0	0	0	0	111.6	T222 V273 Y275 G332	T222-A328 HydrophobicContact CG2-CB 4.18Å; V273-A328 HydrophobicContact CG2-CB 4.03Å; Y275-A328 HydrophobicContact CD2-CB 3.54Å; Y275-A328 HydrophobicContact CE2-CB 3.84Å; A328-G332 VanDerWaalsContact CA-O 3.24Å; A328-G332 WeakPolarHBondContact CA-O 3.28Å
329	D	94.8	Very high	96.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	-168.5	175.1	78.1	-10	0	0	0	109.9	N331 G332 W334 M376 C378 G379 Y423	D329-N331 PolarHBondContact O-N 3.09Å; D329-N331 VanDerWaalsContact O-N 3.11Å; D329-N331 WeakPolarHBondContact OD1-CA 3.4Å; D329-N331 VanDerWaalsContact OD1-CB 3.31Å; D329-N331 WeakPolarHBondContact OD1-CB 3.46Å; D329-N331 PolarHBondContact OD1-N 2.86Å; D329-G332 PolarHBondContact N-O 3.1Å; D329-G332 PolarHBondContact O-N 2.83Å; D329-G332 VanDerWaalsContact O-N 3.16Å; D329-G332 PolarHBondContact OD1-N 2.89Å; D329-G332 VanDerWaalsContact OD1-N 3.17Å; D329-W334 PolarHBondContact OD1-NE1 2.85Å; D329-M376 HydrophobicContact CB-CB 4.11Å; D329-C378 PolarHBondContact OD2-N 2.95Å; D329-G379 WeakPolarHBondContact OD2-CA 3.24Å; D329-G379 PolarHBondContact OD2-N 2.9Å; D329-Y423 HydrophobicContact CB-CD1 4.45Å
330	E	90.3	Very high	96	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.028	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.7	179.1	-59.7	87	169.4	0	0	114.1	Q192 K193 C196 C378 Y423 P425	Q192-E330 HydrophobicContact CB-CB 4.28Å; Q192-E330 HydrophobicContact CB-CG 3.8Å; K193-E330 VanDerWaalsContact CE-O 3.24Å; K193-E330 WeakPolarHBondContact CE-O 3.24Å; K193-E330 HydrophobicContact CG-CB 4.3Å; C196-E330 VanDerWaalsContact SG-CG 3.56Å; E330-C378 PolarHBondContact OE1-SG 3.02Å; E330-C378 WeakPolarHBondContact OE2-CA 3.22Å; E330-C378 PolarHBondContact OE2-N 3.2Å; E330-C378 PolarHBondContact OE2-SG 2.9Å; E330-C378 VanDerWaalsContact OE2-SG 3.32Å; E330-Y423 WeakPolarHBondContact OE1-CE1 3.27Å; E330-Y423 PolarHBondContact OE1-OH 2.87Å; E330-Y423 VanDerWaalsContact OE1-OH 3.09Å; E330-P425 HydrophobicContact CG-CB 3.96Å
331	N	90.4	Very high	95.6	Very high	60 Å²	60	19.5 Å²	19.5	32%	0.321	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-9.9	-179.5	-69.3	-37.4	0	0	0	113.5	D329 W334 G379	D329-N331 PolarHBondContact O-N 3.09Å; D329-N331 VanDerWaalsContact O-N 3.11Å; D329-N331 WeakPolarHBondContact OD1-CA 3.4Å; D329-N331 VanDerWaalsContact OD1-CB 3.31Å; D329-N331 WeakPolarHBondContact OD1-CB 3.46Å; D329-N331 PolarHBondContact OD1-N 2.86Å; N331-W334 HydrophobicContact CB-CZ2 3.81Å; N331-G379 WeakPolarHBondContact ND2-CA 3.49Å; N331-G379 PolarHBondContact ND2-N 3.34Å; N331-G379 VanDerWaalsContact ND2-N 3.19Å
332	G	92.2	Very high	95.4	Very high	10 Å²	10	20.7 Å²	20.7	10%	0.103	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.8	-146.2	171.2	0	0	0	0	0	113.8	A328 D329 W334	A328-G332 VanDerWaalsContact CA-O 3.24Å; A328-G332 WeakPolarHBondContact CA-O 3.28Å; D329-G332 PolarHBondContact N-O 3.1Å; D329-G332 PolarHBondContact O-N 2.83Å; D329-G332 VanDerWaalsContact O-N 3.16Å; D329-G332 PolarHBondContact OD1-N 2.89Å; D329-G332 VanDerWaalsContact OD1-N 3.17Å; G332-W334 VanDerWaalsContact O-CD1 3.28Å; G332-W334 PolarHBondContact O-NE1 2.85Å
333	L	97.1	Very high	95	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.6	-176.9	-175.2	68.4	0	0	0	110.7	V273 Y280 L351 P353 L356	V273-L333 HydrophobicContact CG1-CD1 3.56Å; Y280-L333 HydrophobicContact CD1-CD2 3.68Å; Y280-L333 HydrophobicContact CE1-CD2 3.66Å; Y280-L333 HydrophobicContact CG-CD2 4.24Å; L333-L351 HydrophobicContact CB-CB 4.47Å; L333-L351 HydrophobicContact CD2-CB 4.19Å; L333-L351 HydrophobicContact CD2-CD1 4.39Å; L333-L351 HydrophobicContact CG-CB 4.29Å; L333-L351 PolarHBondContact O-N 2.92Å; L333-P353 HydrophobicContact CB-CG 4.1Å; L333-P353 HydrophobicContact CD2-CB 4.38Å; L333-L356 HydrophobicContact CD2-CD2 4.31Å
334	W	98.5	Very high	94.8	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.8	-177.5	-57	88.5	0	0	0	111.4	L326 M327 D329 N331 G332 I348 S349 R350 W362 M376 T399	L326-W334 WeakPolarHBondContact CA-O 3.18Å; M327-W334 HydrophobicContact CG-CB 3.98Å; M327-W334 PolarHBondContact N-O 3.07Å; M327-W334 VanDerWaalsContact N-O 3.07Å; M327-W334 PolarHBondContact O-N 2.77Å; D329-W334 PolarHBondContact OD1-NE1 2.85Å; N331-W334 HydrophobicContact CB-CZ2 3.81Å; G332-W334 VanDerWaalsContact O-CD1 3.28Å; G332-W334 PolarHBondContact O-NE1 2.85Å; W334-I348 HydrophobicContact CE3-CG2 3.75Å; W334-I348 HydrophobicContact CZ3-CG2 4.28Å; W334-S349 WeakPolarHBondContact CA-O 3.4Å; W334-R350 HydrophobicContact CD2-CB 4.3Å; W334-R350 HydrophobicContact CD2-CG 4.21Å; W334-R350 HydrophobicContact CE3-CB 3.69Å; W334-R350 HydrophobicContact CE3-CG 4.09Å; W334-R350 HydrophobicContact CH2-CB 4.05Å; W334-R350 HydrophobicContact CH2-CG 4.11Å; W334-R350 HydrophobicContact CZ2-CG 4.17Å; W334-R350 HydrophobicContact CZ3-CB 3.59Å; W334-R350 HydrophobicContact CZ3-CG 4.07Å; W334-W362 HydrophobicContact CE3-CZ3 4.39Å; W334-W362 HydrophobicContact CH2-CH2 4.12Å; W334-W362 HydrophobicContact CH2-CZ3 4.24Å; W334-W362 HydrophobicContact CZ3-CE3 4.18Å; W334-W362 AromaticContact CZ3-CH2 3.82Å; W334-W362 HydrophobicContact CZ3-CH2 3.82Å; W334-W362 AromaticContact CZ3-CZ3 3.48Å; W334-W362 HydrophobicContact CZ3-CZ3 3.48Å; W334-W362 VanDerWaalsContact CZ3-CZ3 3.48Å; W334-M376 HydrophobicContact CB-CG 4.36Å; W334-M376 HydrophobicContact CD2-CE 3.65Å; W334-M376 HydrophobicContact CE3-CE 3.79Å; W334-M376 HydrophobicContact CG-CE 4.19Å; W334-M376 HydrophobicContact CG-CG 4.2Å; W334-M376 HydrophobicContact CH2-CE 3.91Å; W334-M376 HydrophobicContact CZ2-CE 3.8Å; W334-M376 HydrophobicContact CZ3-CE 3.89Å; W334-T399 HydrophobicContact CH2-CG2 4.34Å; W334-T399 HydrophobicContact CZ3-CG2 4.21Å
335	A	98.6	Very high	94.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126	166.1	0	0	0	0	0	109.8	I289 L305 D325 L326 Y337 I348 S349 L351	I289-A335 HydrophobicContact CD1-CB 4.41Å; L305-A335 HydrophobicContact CD1-CB 4.09Å; L305-A335 HydrophobicContact CD2-CB 4.48Å; D325-A335 CarbonylContact O-C 3.55Å; D325-A335 WeakPolarHBondContact O-CA 3.45Å; L326-A335 HydrophobicContact CD2-CB 3.72Å; A335-Y337 HydrophobicContact CB-CD1 4.04Å; A335-Y337 HydrophobicContact CB-CE1 4.27Å; A335-I348 CarbonylContact O-C 3.5Å; A335-I348 WeakPolarHBondContact O-CA 3.42Å; A335-S349 PolarHBondContact N-O 2.88Å; A335-S349 PolarHBondContact O-N 3.12Å; A335-L351 HydrophobicContact CB-CD1 3.89Å; A335-L351 HydrophobicContact CB-CG 4.27Å
336	V	98.7	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.6	172.2	179.5	0	0	0	0	108	D325 M327 I346 V347 I348 L381	D325-V336 HydrophobicContact CB-CB 4.29Å; D325-V336 PolarHBondContact N-O 3.03Å; D325-V336 PolarHBondContact O-N 3.22Å; M327-V336 HydrophobicContact CE-CB 3.82Å; M327-V336 HydrophobicContact CE-CG2 3.38Å; M327-V336 HydrophobicContact CG-CG2 4.48Å; M327-V336 HydrophobicContact SD-CG2 3.58Å; M327-V336 VanDerWaalsContact SD-CG2 3.58Å; V336-I346 HydrophobicContact CG1-CG2 3.55Å; V336-V347 WeakPolarHBondContact CA-O 3.49Å; V336-I348 HydrophobicContact CG2-CG1 4.47Å; V336-I348 HydrophobicContact CG2-CG2 4.26Å; V336-L381 HydrophobicContact CG2-CD1 3.78Å
337	Y	98.4	Very high	94.7	Very high	8 Å²	8	26.3 Å²	26.3	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	-165.9	-175.8	61.5	-80	0	0	0	110.2	L305 A308 D323 A335 T339 I346 V347 S349	L305-Y337 HydrophobicContact CD1-CD1 3.91Å; L305-Y337 HydrophobicContact CD1-CE1 4.24Å; L305-Y337 HydrophobicContact CD1-CG 4.14Å; L305-Y337 HydrophobicContact CD2-CE1 4.31Å; A308-Y337 HydrophobicContact CB-CD2 3.37Å; A308-Y337 HydrophobicContact CB-CE2 3.89Å; A308-Y337 HydrophobicContact CB-CG 4.1Å; D323-Y337 WeakPolarHBondContact O-CA 3.45Å; A335-Y337 HydrophobicContact CB-CD1 4.04Å; A335-Y337 HydrophobicContact CB-CE1 4.27Å; Y337-T339 HydrophobicContact CD2-CG2 4.25Å; Y337-T339 HydrophobicContact CE2-CG2 3.78Å; Y337-I346 WeakPolarHBondContact O-CA 3.49Å; Y337-V347 HydrophobicContact CD2-CB 4.49Å; Y337-V347 HydrophobicContact CE1-CG1 4.2Å; Y337-V347 HydrophobicContact CE2-CB 4.29Å; Y337-V347 HydrophobicContact CE2-CG1 4.03Å; Y337-V347 PolarHBondContact N-O 2.85Å; Y337-V347 PolarHBondContact O-N 3.41Å; Y337-S349 PolarHBondContact OH-OG 2.87Å
338	T	97.1	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.1	177.2	53.4	0	0	0	0	109.4	A308 G309 F314 G344 K368	A308-T338 CarbonylContact C-O 3.58Å; A308-T338 VanDerWaalsContact CA-O 3.23Å; A308-T338 WeakPolarHBondContact CA-O 3.49Å; G309-T338 PolarHBondContact N-O 2.92Å; F314-T338 HydrophobicContact CB-CG2 3.77Å; F314-T338 WeakPolarHBondContact CB-OG1 3.42Å; F314-T338 HydrophobicContact CG-CG2 4.47Å; T338-G344 WeakPolarHBondContact CG2-O 3.23Å; T338-K368 HydrophobicContact CG2-CB 3.43Å; T338-K368 VanDerWaalsContact CG2-CB 3.43Å; T338-K368 HydrophobicContact CG2-CD 3.5Å; T338-K368 VanDerWaalsContact CG2-CD 3.5Å; T338-K368 HydrophobicContact CG2-CG 4.08Å
339	T	93.8	Very high	94.8	Very high	26 Å²	26	26.2 Å²	26.2	16%	0.16	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-123.2	151.4	167.3	68.7	0	0	0	0	110	G307 Y337 N341 N342 G344 V347	G307-T339 WeakPolarHBondContact O-CA 3.2Å; G307-T339 WeakPolarHBondContact O-CB 3.46Å; Y337-T339 HydrophobicContact CD2-CG2 4.25Å; Y337-T339 HydrophobicContact CE2-CG2 3.78Å; T339-N341 VanDerWaalsContact C-N 3.26Å; T339-N341 PolarHBondContact O-N 2.98Å; T339-N342 PolarHBondContact O-N 2.84Å; T339-N342 VanDerWaalsContact O-N 3.15Å; T339-N342 VanDerWaalsContact OG1-CB 3.29Å; T339-N342 WeakPolarHBondContact OG1-CB 3.15Å; T339-N342 PolarHBondContact OG1-N 2.85Å; T339-G344 PolarHBondContact O-N 2.93Å; T339-V347 HydrophobicContact CG2-CG2 4.4Å
340	I	86.6	Confident	95	Very high	120 Å²	120	30.2 Å²	30.2	62%	0.615	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-61.5	-39.9	177.2	-64.9	169.7	0	0	0	110.4	F314 N342 A343	F314-I340 HydrophobicContact CE2-CG1 4.27Å; I340-N342 PolarHBondContact O-N 2.81Å; I340-A343 PolarHBondContact O-N 2.87Å
341	N	89.4	Confident	95.4	Very high	164 Å²	164	30 Å²	30	88%	0.877	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-61.6	-25.9	178.4	-66.3	-7.2	0	0	0	112.7	T339 A343	T339-N341 VanDerWaalsContact C-N 3.26Å; T339-N341 PolarHBondContact O-N 2.98Å; N341-A343 VanDerWaalsContact C-N 3.34Å
342	N	91.5	Very high	95.6	Very high	27 Å²	27	29.8 Å²	29.8	14%	0.144	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-97.6	23.1	178.5	-158.4	28.8	0	0	0	113.4	T339 I340 G344 N345 V347 D363	T339-N342 PolarHBondContact O-N 2.84Å; T339-N342 VanDerWaalsContact O-N 3.15Å; T339-N342 VanDerWaalsContact OG1-CB 3.29Å; T339-N342 WeakPolarHBondContact OG1-CB 3.15Å; T339-N342 PolarHBondContact OG1-N 2.85Å; I340-N342 PolarHBondContact O-N 2.81Å; N342-G344 PolarHBondContact O-N 2.93Å; N342-N345 WeakPolarHBondContact ND2-CB 3.23Å; N342-N345 WeakPolarHBondContact O-CB 3.04Å; N342-N345 PolarHBondContact O-N 2.83Å; N342-V347 HydrophobicContact CB-CG2 4.24Å; N342-V347 WeakPolarHBondContact ND2-CG2 3.35Å; N342-D363 PolarHBondContact ND2-OD1 3.29Å; N342-D363 PolarHBondContact ND2-OD2 2.88Å; N342-D363 PolarHBondContact OD1-OD2 3Å
343	A	90.5	Very high	95.6	Very high	80 Å²	80	30.3 Å²	30.3	66%	0.661	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	26.7	176.8	0	0	0	0	0	115.1	I340 N341 N345	I340-A343 PolarHBondContact O-N 2.87Å; N341-A343 VanDerWaalsContact C-N 3.34Å; A343-N345 VanDerWaalsContact C-N 3.34Å
344	G	92.9	Very high	95.3	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	11.2	-178.3	0	0	0	0	0	115.2	T338 T339 N342 K368	T338-G344 WeakPolarHBondContact CG2-O 3.23Å; T339-G344 PolarHBondContact O-N 2.93Å; N342-G344 PolarHBondContact O-N 2.93Å; G344-K368 PolarHBondContact O-N 2.89Å; G344-K368 VanDerWaalsContact O-N 3.09Å
345	N	97.3	Very high	95.1	Very high	34 Å²	34	36.6 Å²	36.6	18%	0.182	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	149.3	169	-66.7	-21.9	0	0	0	111	N342 A343 V347 F366	N342-N345 WeakPolarHBondContact ND2-CB 3.23Å; N342-N345 WeakPolarHBondContact O-CB 3.04Å; N342-N345 PolarHBondContact O-N 2.83Å; A343-N345 VanDerWaalsContact C-N 3.34Å; N345-V347 PolarHBondContact O-N 2.76Å; N345-F366 CarbonylContact C-O 3.5Å; N345-F366 VanDerWaalsContact CA-O 3.32Å; N345-F366 WeakPolarHBondContact CA-O 3.24Å
346	I	98.4	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	127.2	178.2	-67.5	170.8	0	0	0	109	V336 Y337 I348 T364 F366 K368 A371 L381 V383	V336-I346 HydrophobicContact CG1-CG2 3.55Å; Y337-I346 WeakPolarHBondContact O-CA 3.49Å; I346-I348 HydrophobicContact CG2-CG1 4.23Å; I346-T364 HydrophobicContact CB-CG2 4.33Å; I346-T364 VanDerWaalsContact CB-OG1 3.31Å; I346-T364 WeakPolarHBondContact CB-OG1 3.43Å; I346-T364 HydrophobicContact CG2-CG2 3.96Å; I346-T364 WeakPolarHBondContact O-CB 3.46Å; I346-T364 WeakPolarHBondContact O-CG2 3.43Å; I346-T364 PolarHBondContact O-N 2.85Å; I346-T364 VanDerWaalsContact O-N 3.08Å; I346-T364 PolarHBondContact O-OG1 3.33Å; I346-F366 HydrophobicContact CD1-CB 4.49Å; I346-F366 HydrophobicContact CD1-CD1 4Å; I346-F366 WeakPolarHBondContact CG1-O 3.26Å; I346-F366 PolarHBondContact N-O 2.93Å; I346-K368 HydrophobicContact CD1-CB 4.39Å; I346-K368 HydrophobicContact CD1-CG 4.33Å; I346-K368 HydrophobicContact CG1-CB 3.57Å; I346-K368 HydrophobicContact CG1-CD 4.22Å; I346-K368 HydrophobicContact CG1-CG 3.78Å; I346-A371 HydrophobicContact CD1-CB 4.25Å; I346-L381 HydrophobicContact CG2-CD2 3.76Å; I346-V383 HydrophobicContact CD1-CG1 4.25Å; I346-V383 HydrophobicContact CD1-CG2 4.04Å
347	V	98.2	Very high	95	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.8	170.8	176.5	0	0	0	0	107.4	V336 Y337 T339 N342 N345 T361 W362	V336-V347 WeakPolarHBondContact CA-O 3.49Å; Y337-V347 HydrophobicContact CD2-CB 4.49Å; Y337-V347 HydrophobicContact CE1-CG1 4.2Å; Y337-V347 HydrophobicContact CE2-CB 4.29Å; Y337-V347 HydrophobicContact CE2-CG1 4.03Å; Y337-V347 PolarHBondContact N-O 2.85Å; Y337-V347 PolarHBondContact O-N 3.41Å; T339-V347 HydrophobicContact CG2-CG2 4.4Å; N342-V347 HydrophobicContact CB-CG2 4.24Å; N342-V347 WeakPolarHBondContact ND2-CG2 3.35Å; N345-V347 PolarHBondContact O-N 2.76Å; V347-T361 HydrophobicContact CG1-CG2 3.4Å; V347-T361 VanDerWaalsContact CG1-CG2 3.4Å; V347-W362 WeakPolarHBondContact CA-O 3.21Å
348	I	98.1	Very high	95	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.9	176.6	-45.3	161.1	0	0	0	107.4	W334 A335 V336 I346 T361 W362 T364 M376 L381 Y397 T399	W334-I348 HydrophobicContact CE3-CG2 3.75Å; W334-I348 HydrophobicContact CZ3-CG2 4.28Å; A335-I348 CarbonylContact O-C 3.5Å; A335-I348 WeakPolarHBondContact O-CA 3.42Å; V336-I348 HydrophobicContact CG2-CG1 4.47Å; V336-I348 HydrophobicContact CG2-CG2 4.26Å; I346-I348 HydrophobicContact CG2-CG1 4.23Å; I348-T361 CarbonylContact O-C 3.54Å; I348-T361 VanDerWaalsContact O-CA 3.3Å; I348-T361 WeakPolarHBondContact O-CA 3.31Å; I348-W362 PolarHBondContact N-O 3.26Å; I348-W362 PolarHBondContact O-N 3.31Å; I348-T364 HydrophobicContact CD1-CG2 3.53Å; I348-T364 HydrophobicContact CG1-CG2 3.75Å; I348-M376 HydrophobicContact CG2-CE 4.48Å; I348-M376 HydrophobicContact CG2-SD 4.34Å; I348-L381 HydrophobicContact CD1-CB 3.53Å; I348-L381 HydrophobicContact CD1-CD1 4.44Å; I348-L381 HydrophobicContact CD1-CD2 3.64Å; I348-L381 HydrophobicContact CD1-CG 4.05Å; I348-L381 HydrophobicContact CG1-CD2 3.9Å; I348-Y397 HydrophobicContact CD1-CD1 4Å; I348-T399 HydrophobicContact CD1-CG2 4.4Å
349	S	98.5	Very high	95	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.1	170.4	-71.3	0	0	0	0	111	W334 A335 Y337 Q360 T361	W334-S349 WeakPolarHBondContact CA-O 3.4Å; A335-S349 PolarHBondContact N-O 2.88Å; A335-S349 PolarHBondContact O-N 3.12Å; Y337-S349 PolarHBondContact OH-OG 2.87Å; S349-Q360 CarbonylContact C-O 3.58Å; S349-Q360 VanDerWaalsContact CA-O 3.24Å; S349-Q360 WeakPolarHBondContact CA-O 3.42Å; S349-T361 WeakPolarHBondContact OG-CG2 3.31Å; S349-T361 PolarHBondContact OG-OG1 3.4Å
350	R	98.3	Very high	95.2	Very high	84 Å²	84	51.9 Å²	51.9	32%	0.317	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.2	169.4	-166	175.3	66.5	179.3	-2.1	108.8	W334 L359 Q360 W362	W334-R350 HydrophobicContact CD2-CB 4.3Å; W334-R350 HydrophobicContact CD2-CG 4.21Å; W334-R350 HydrophobicContact CE3-CB 3.69Å; W334-R350 HydrophobicContact CE3-CG 4.09Å; W334-R350 HydrophobicContact CH2-CB 4.05Å; W334-R350 HydrophobicContact CH2-CG 4.11Å; W334-R350 HydrophobicContact CZ2-CG 4.17Å; W334-R350 HydrophobicContact CZ3-CB 3.59Å; W334-R350 HydrophobicContact CZ3-CG 4.07Å; R350-L359 HydrophobicContact CB-CB 4.49Å; R350-L359 HydrophobicContact CG-CD1 4.45Å; R350-L359 WeakPolarHBondContact O-CB 3.49Å; R350-L359 PolarHBondContact O-N 3.14Å; R350-Q360 PolarHBondContact N-O 2.89Å; R350-W362 HydrophobicContact CB-CH2 4.28Å; R350-W362 HydrophobicContact CB-CZ3 4.01Å
351	L	98.1	Very high	95.7	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.4	-176.9	-57.9	-176.5	0	0	0	111.4	I289 L305 L326 L333 A335 P353 E357 I358	I289-L351 HydrophobicContact CD1-CD1 3.65Å; L305-L351 HydrophobicContact CD2-CD2 4.41Å; L326-L351 HydrophobicContact CD2-CD1 4.4Å; L333-L351 HydrophobicContact CB-CB 4.47Å; L333-L351 HydrophobicContact CD2-CB 4.19Å; L333-L351 HydrophobicContact CD2-CD1 4.39Å; L333-L351 HydrophobicContact CG-CB 4.29Å; L333-L351 PolarHBondContact O-N 2.92Å; A335-L351 HydrophobicContact CB-CD1 3.89Å; A335-L351 HydrophobicContact CB-CG 4.27Å; L351-P353 WeakPolarHBondContact O-CD 3.21Å; L351-E357 CarbonylContact C-O 3.56Å; L351-E357 VanDerWaalsContact CA-O 3.32Å; L351-E357 WeakPolarHBondContact CA-O 3.44Å; L351-I358 HydrophobicContact CD2-CG1 3.8Å
352	E	95.8	Very high	96.1	Very high	55 Å²	55	42.4 Å²	42.4	26%	0.257	23%	0.225	S	C	.	.			trans	-76.5	121.3	163.7	-162.1	-81	179.8	0	0	108.5	Q354 S355 L356 E357 L359	E352-Q354 VanDerWaalsContact C-N 3.33Å; E352-Q354 PolarHBondContact O-N 3.05Å; E352-Q354 WeakPolarHBondContact OE1-CB 3.47Å; E352-Q354 PolarHBondContact OE1-OE1 2.85Å; E352-Q354 WeakPolarHBondContact OE2-CA 3.36Å; E352-Q354 WeakPolarHBondContact OE2-CB 3.36Å; E352-Q354 PolarHBondContact OE2-N 3.1Å; E352-S355 WeakPolarHBondContact OE2-CB 3.49Å; E352-S355 PolarHBondContact OE2-N 2.87Å; E352-S355 PolarHBondContact OE2-OG 2.93Å; E352-L356 WeakPolarHBondContact O-CA 3.37Å; E352-L356 PolarHBondContact O-N 2.93Å; E352-E357 HydrophobicContact CB-CB 4.41Å; E352-E357 PolarHBondContact N-O 3.4Å; E352-L359 HydrophobicContact CB-CD1 4.15Å; E352-L359 HydrophobicContact CB-CD2 3.99Å; E352-L359 HydrophobicContact CB-CG 4.06Å
353	P	92.5	Very high	96.3	Very high	20 Å²	20	44.8 Å²	44.8	13%	0.13	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.6	-169.8	-23.7	34.2	0	0	0	115.9	Y275 Y280 K291 L333 L351	Y275-P353 HydrophobicContact CD1-CB 4.18Å; Y275-P353 HydrophobicContact CE1-CB 3.82Å; Y275-P353 HydrophobicContact CE1-CG 3.74Å; Y280-P353 WeakPolarHBondContact CE1-O 3.42Å; Y280-P353 PolarHBondContact OH-O 3.15Å; K291-P353 PolarHBondContact NZ-O 2.89Å; L333-P353 HydrophobicContact CB-CG 4.1Å; L333-P353 HydrophobicContact CD2-CB 4.38Å; L351-P353 WeakPolarHBondContact O-CD 3.21Å
354	Q	90.6	Very high	96.7	Very high	107 Å²	107	41.1 Å²	41.1	50%	0.5	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-45.6	-176.3	-71.4	69.9	5.9	0	0	111.3	V301 E352	V301-Q354 WeakPolarHBondContact CG2-O 3.42Å; E352-Q354 VanDerWaalsContact C-N 3.33Å; E352-Q354 PolarHBondContact O-N 3.05Å; E352-Q354 WeakPolarHBondContact OE1-CB 3.47Å; E352-Q354 PolarHBondContact OE1-OE1 2.85Å; E352-Q354 WeakPolarHBondContact OE2-CA 3.36Å; E352-Q354 WeakPolarHBondContact OE2-CB 3.36Å; E352-Q354 PolarHBondContact OE2-N 3.1Å
355	S	94.4	Very high	96.8	Very high	30 Å²	30	43 Å²	43	21%	0.21	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-16.9	-170.8	67	0	0	0	0	113.6	R303 E352 E357	R303-S355 VanDerWaalsContact CZ-O 3.32Å; R303-S355 PolarHBondContact NE-O 2.78Å; R303-S355 PolarHBondContact NH2-O 2.91Å; R303-S355 VanDerWaalsContact NH2-O 3.09Å; E352-S355 WeakPolarHBondContact OE2-CB 3.49Å; E352-S355 PolarHBondContact OE2-N 2.87Å; E352-S355 PolarHBondContact OE2-OG 2.93Å; S355-E357 PolarHBondContact O-N 2.97Å; S355-E357 PolarHBondContact OG-N 3.37Å
356	L	97.6	Very high	96.9	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.221	C	C	.	.			trans	64.9	16.4	-171.2	-54.3	178.9	0	0	0	114.6	Y280 I289 K291 V301 R303 L333 E352	Y280-L356 HydrophobicContact CD1-CD2 3.6Å; Y280-L356 HydrophobicContact CE1-CD2 3.58Å; I289-L356 HydrophobicContact CB-CD1 4.07Å; I289-L356 HydrophobicContact CG2-CD1 3.78Å; I289-L356 HydrophobicContact CG2-CD2 4.32Å; K291-L356 HydrophobicContact CB-CD1 4.41Å; V301-L356 HydrophobicContact CB-CD1 4.25Å; V301-L356 HydrophobicContact CB-CG 4.45Å; V301-L356 HydrophobicContact CG1-CB 4.44Å; V301-L356 HydrophobicContact CG1-CD1 3.86Å; V301-L356 HydrophobicContact CG1-CG 3.99Å; R303-L356 HydrophobicContact CB-CB 3.84Å; R303-L356 HydrophobicContact CB-CD1 4.17Å; R303-L356 VanDerWaalsContact CD-O 3.26Å; R303-L356 WeakPolarHBondContact CD-O 3.4Å; L333-L356 HydrophobicContact CD2-CD2 4.31Å; E352-L356 WeakPolarHBondContact O-CA 3.37Å; E352-L356 PolarHBondContact O-N 2.93Å
357	E	97.2	Very high	96.8	Very high	94 Å²	94	44.9 Å²	44.9	44%	0.439	24%	0.239	S	C	.	.			trans	-65.6	138.8	178.7	-76	-176.2	179.3	0	0	112.3	R303 L351 E352 S355 L359	R303-E357 IonicContact CZ-OE1 3.15Å; R303-E357 IonicContact NH1-OE1 2.86Å; R303-E357 PolarHBondContact NH1-OE1 2.81Å; R303-E357 VanDerWaalsContact NH1-OE1 3.15Å; R303-E357 IonicContact NH2-OE1 3.01Å; R303-E357 PolarHBondContact NH2-OE1 2.81Å; L351-E357 CarbonylContact C-O 3.56Å; L351-E357 VanDerWaalsContact CA-O 3.32Å; L351-E357 WeakPolarHBondContact CA-O 3.44Å; E352-E357 HydrophobicContact CB-CB 4.41Å; E352-E357 PolarHBondContact N-O 3.4Å; S355-E357 PolarHBondContact O-N 2.97Å; S355-E357 PolarHBondContact OG-N 3.37Å; E357-L359 PolarHBondContact O-N 2.8Å
358	I	97.9	Very high	96.8	Very high	72 Å²	72	44.5 Å²	44.5	37%	0.369	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	114.7	172.5	-65.1	174.3	0	0	0	107.3	L305 L351 T361	L305-I358 HydrophobicContact CD2-CD1 4Å; L305-I358 HydrophobicContact CD2-CG1 4.28Å; L351-I358 HydrophobicContact CD2-CG1 3.8Å; I358-T361 VanDerWaalsContact CG2-OG1 3.26Å; I358-T361 WeakPolarHBondContact CG2-OG1 3.47Å
359	L	97	Very high	96.8	Very high	93 Å²	93	51.3 Å²	51.3	49%	0.487	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-39.7	176.8	-64.4	177	0	0	0	111.4	R350 E352 E357	R350-L359 HydrophobicContact CB-CB 4.49Å; R350-L359 HydrophobicContact CG-CD1 4.45Å; R350-L359 WeakPolarHBondContact O-CB 3.49Å; R350-L359 PolarHBondContact O-N 3.14Å; E352-L359 HydrophobicContact CB-CD1 4.15Å; E352-L359 HydrophobicContact CB-CD2 3.99Å; E352-L359 HydrophobicContact CB-CG 4.06Å; E357-L359 PolarHBondContact O-N 2.8Å
360	Q	97.6	Very high	96.8	Very high	94 Å²	94	54.5 Å²	54.5	44%	0.439	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	151.5	-178.9	-171.7	171.1	0.9	0	0	109.7	S349 R350 W362	S349-Q360 CarbonylContact C-O 3.58Å; S349-Q360 VanDerWaalsContact CA-O 3.24Å; S349-Q360 WeakPolarHBondContact CA-O 3.42Å; R350-Q360 PolarHBondContact N-O 2.89Å; Q360-W362 HydrophobicContact CB-CH2 3.46Å; Q360-W362 VanDerWaalsContact CB-CH2 3.46Å; Q360-W362 HydrophobicContact CB-CZ2 4.09Å; Q360-W362 HydrophobicContact CB-CZ3 3.7Å; Q360-W362 HydrophobicContact CG-CD2 4.33Å; Q360-W362 HydrophobicContact CG-CE3 4.25Å; Q360-W362 HydrophobicContact CG-CH2 3.38Å; Q360-W362 HydrophobicContact CG-CZ2 3.47Å; Q360-W362 VanDerWaalsContact CG-CZ2 3.47Å; Q360-W362 HydrophobicContact CG-CZ3 3.77Å; Q360-W362 VanDerWaalsContact NE2-CZ2 3.27Å; Q360-W362 VanDerWaalsContact O-CZ3 3.31Å; Q360-W362 WeakPolarHBondContact O-CZ3 3.48Å; Q360-W362 VanDerWaalsContact OE1-CZ2 3.3Å
361	T	97.8	Very high	96.8	Very high	69 Å²	69	50.5 Å²	50.5	42%	0.423	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.4	-177.3	-59.6	0	0	0	0	110.9	V347 I348 S349 I358	V347-T361 HydrophobicContact CG1-CG2 3.4Å; V347-T361 VanDerWaalsContact CG1-CG2 3.4Å; I348-T361 CarbonylContact O-C 3.54Å; I348-T361 VanDerWaalsContact O-CA 3.3Å; I348-T361 WeakPolarHBondContact O-CA 3.31Å; S349-T361 WeakPolarHBondContact OG-CG2 3.31Å; S349-T361 PolarHBondContact OG-OG1 3.4Å; I358-T361 VanDerWaalsContact CG2-OG1 3.26Å; I358-T361 WeakPolarHBondContact CG2-OG1 3.47Å
362	W	98.1	Very high	96.8	Very high	15 Å²	15	50.4 Å²	50.4	6%	0.057	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.3	177.1	-62.6	-101.1	0	0	0	110.6	W334 V347 I348 R350 Q360 Y397 T399	W334-W362 HydrophobicContact CE3-CZ3 4.39Å; W334-W362 HydrophobicContact CH2-CH2 4.12Å; W334-W362 HydrophobicContact CH2-CZ3 4.24Å; W334-W362 HydrophobicContact CZ3-CE3 4.18Å; W334-W362 AromaticContact CZ3-CH2 3.82Å; W334-W362 HydrophobicContact CZ3-CH2 3.82Å; W334-W362 AromaticContact CZ3-CZ3 3.48Å; W334-W362 HydrophobicContact CZ3-CZ3 3.48Å; W334-W362 VanDerWaalsContact CZ3-CZ3 3.48Å; V347-W362 WeakPolarHBondContact CA-O 3.21Å; I348-W362 PolarHBondContact N-O 3.26Å; I348-W362 PolarHBondContact O-N 3.31Å; R350-W362 HydrophobicContact CB-CH2 4.28Å; R350-W362 HydrophobicContact CB-CZ3 4.01Å; Q360-W362 HydrophobicContact CB-CH2 3.46Å; Q360-W362 VanDerWaalsContact CB-CH2 3.46Å; Q360-W362 HydrophobicContact CB-CZ2 4.09Å; Q360-W362 HydrophobicContact CB-CZ3 3.7Å; Q360-W362 HydrophobicContact CG-CD2 4.33Å; Q360-W362 HydrophobicContact CG-CE3 4.25Å; Q360-W362 HydrophobicContact CG-CH2 3.38Å; Q360-W362 HydrophobicContact CG-CZ2 3.47Å; Q360-W362 VanDerWaalsContact CG-CZ2 3.47Å; Q360-W362 HydrophobicContact CG-CZ3 3.77Å; Q360-W362 VanDerWaalsContact NE2-CZ2 3.27Å; Q360-W362 VanDerWaalsContact O-CZ3 3.31Å; Q360-W362 WeakPolarHBondContact O-CZ3 3.48Å; Q360-W362 VanDerWaalsContact OE1-CZ2 3.3Å; W362-Y397 HydrophobicContact CB-CE1 3.75Å; W362-Y397 AromaticContact CD1-CE1 3.92Å; W362-Y397 HydrophobicContact CG-CE1 4.04Å; W362-T399 HydrophobicContact CD2-CG2 4.05Å; W362-T399 HydrophobicContact CE3-CG2 4.35Å; W362-T399 HydrophobicContact CG-CG2 4.32Å; W362-T399 HydrophobicContact CZ2-CG2 4.48Å; W362-T399 PolarHBondContact NE1-O 2.96Å
363	D	96.6	Very high	96.9	Very high	78 Å²	78	47.9 Å²	47.9	42%	0.417	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.5	167.1	176.3	10.5	0	0	0	109.3	N342 G365 Y397	N342-D363 PolarHBondContact ND2-OD1 3.29Å; N342-D363 PolarHBondContact ND2-OD2 2.88Å; N342-D363 PolarHBondContact OD1-OD2 3Å; D363-G365 PolarHBondContact OD1-N 2.8Å; D363-Y397 VanDerWaalsContact O-CE2 3.27Å; D363-Y397 WeakPolarHBondContact O-CE2 3.38Å; D363-Y397 PolarHBondContact O-OH 2.83Å; D363-Y397 VanDerWaalsContact O-OH 3.09Å
364	T	97.4	Very high	97.2	Very high	3 Å²	3	47 Å²	47	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-19.7	-177.2	69.9	0	0	0	0	114.1	I346 I348 F366 L381 Y397	I346-T364 HydrophobicContact CB-CG2 4.33Å; I346-T364 VanDerWaalsContact CB-OG1 3.31Å; I346-T364 WeakPolarHBondContact CB-OG1 3.43Å; I346-T364 HydrophobicContact CG2-CG2 3.96Å; I346-T364 WeakPolarHBondContact O-CB 3.46Å; I346-T364 WeakPolarHBondContact O-CG2 3.43Å; I346-T364 PolarHBondContact O-N 2.85Å; I346-T364 VanDerWaalsContact O-N 3.08Å; I346-T364 PolarHBondContact O-OG1 3.33Å; I348-T364 HydrophobicContact CD1-CG2 3.53Å; I348-T364 HydrophobicContact CG1-CG2 3.75Å; T364-F366 PolarHBondContact O-N 2.96Å; T364-F366 PolarHBondContact OG1-N 3.17Å; T364-L381 HydrophobicContact CG2-CD2 4.06Å; T364-Y397 HydrophobicContact CG2-CD1 4.2Å; T364-Y397 HydrophobicContact CG2-CD2 3.97Å; T364-Y397 HydrophobicContact CG2-CE2 4.43Å; T364-Y397 HydrophobicContact CG2-CG 3.85Å
365	G	96.2	Very high	97.6	Very high	42 Å²	42	41.9 Å²	41.9	43%	0.433	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69.1	2	-170.7	0	0	0	0	0	115.7	D363	D363-G365 PolarHBondContact OD1-N 2.8Å
366	F	98	Very high	97.8	Very high	14 Å²	14	40.4 Å²	40.4	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.6	-179.6	-165.7	-83	0	0	0	111.8	N345 I346 T364 K368 A371 V383 Y394 F395 Y406	N345-F366 CarbonylContact C-O 3.5Å; N345-F366 VanDerWaalsContact CA-O 3.32Å; N345-F366 WeakPolarHBondContact CA-O 3.24Å; I346-F366 HydrophobicContact CD1-CB 4.49Å; I346-F366 HydrophobicContact CD1-CD1 4Å; I346-F366 WeakPolarHBondContact CG1-O 3.26Å; I346-F366 PolarHBondContact N-O 2.93Å; T364-F366 PolarHBondContact O-N 2.96Å; T364-F366 PolarHBondContact OG1-N 3.17Å; F366-K368 PolarHBondContact O-N 3.08Å; F366-A371 HydrophobicContact CD1-CB 4.42Å; F366-A371 HydrophobicContact CE1-CB 3.94Å; F366-V383 HydrophobicContact CD1-CG1 4Å; F366-V383 HydrophobicContact CE1-CG1 3.74Å; F366-V383 HydrophobicContact CZ-CG1 4.21Å; F366-Y394 HydrophobicContact CE2-CD1 4.44Å; F366-F395 HydrophobicContact CB-CD1 4.14Å; F366-F395 HydrophobicContact CB-CE1 3.83Å; F366-F395 HydrophobicContact CB-CE2 4.38Å; F366-F395 HydrophobicContact CB-CZ 3.96Å; F366-F395 HydrophobicContact CD2-CB 3.84Å; F366-F395 AromaticContact CD2-CD1 3.91Å; F366-F395 HydrophobicContact CD2-CD1 3.91Å; F366-F395 AromaticContact CD2-CD2 3.61Å; F366-F395 HydrophobicContact CD2-CD2 3.61Å; F366-F395 HydrophobicContact CD2-CE1 4.31Å; F366-F395 HydrophobicContact CD2-CE2 4.02Å; F366-F395 AromaticContact CD2-CG 3.52Å; F366-F395 HydrophobicContact CD2-CG 3.52Å; F366-F395 HydrophobicContact CD2-CZ 4.36Å; F366-F395 HydrophobicContact CE2-CB 3.78Å; F366-F395 HydrophobicContact CE2-CD2 4.21Å; F366-F395 HydrophobicContact CE2-CG 4Å; F366-F395 HydrophobicContact CG-CD1 4.15Å; F366-F395 HydrophobicContact CG-CE1 4.34Å; F366-F395 HydrophobicContact CG-CG 4.23Å; F366-Y406 HydrophobicContact CE2-CE1 4.36Å
367	P	97.8	Very high	97.7	Very high	59 Å²	59	40.3 Å²	40.3	38%	0.383	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	119.1	-179.6	-22.1	33.4	0	0	0	113	R369 S370	P367-R369 VanDerWaalsContact C-N 3.28Å; P367-R369 PolarHBondContact O-N 2.7Å; P367-S370 WeakPolarHBondContact O-CB 3.47Å; P367-S370 PolarHBondContact O-N 2.94Å
368	K	98.3	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-63.2	-33.1	-174.7	-165.4	168.2	-168.2	-58.1	0	113.3	Y316 S322 T338 G344 I346 F366 S370 A371	Y316-K368 HydrophobicContact CD1-CD 4.48Å; Y316-K368 HydrophobicContact CD1-CG 3.76Å; Y316-K368 VanDerWaalsContact CD1-NZ 3.25Å; Y316-K368 VanDerWaalsContact CD2-NZ 3.29Å; Y316-K368 HydrophobicContact CE1-CD 4.3Å; Y316-K368 HydrophobicContact CE1-CG 3.86Å; Y316-K368 VanDerWaalsContact CG-NZ 3.33Å; S322-K368 PolarHBondContact O-NZ 3.35Å; T338-K368 HydrophobicContact CG2-CB 3.43Å; T338-K368 VanDerWaalsContact CG2-CB 3.43Å; T338-K368 HydrophobicContact CG2-CD 3.5Å; T338-K368 VanDerWaalsContact CG2-CD 3.5Å; T338-K368 HydrophobicContact CG2-CG 4.08Å; G344-K368 PolarHBondContact O-N 2.89Å; G344-K368 VanDerWaalsContact O-N 3.09Å; I346-K368 HydrophobicContact CD1-CB 4.39Å; I346-K368 HydrophobicContact CD1-CG 4.33Å; I346-K368 HydrophobicContact CG1-CB 3.57Å; I346-K368 HydrophobicContact CG1-CD 4.22Å; I346-K368 HydrophobicContact CG1-CG 3.78Å; F366-K368 PolarHBondContact O-N 3.08Å; K368-S370 PolarHBondContact O-N 2.79Å; K368-A371 WeakPolarHBondContact O-CB 3.49Å; K368-A371 PolarHBondContact O-N 2.86Å
369	R	97.6	Very high	97.4	Very high	143 Å²	143	33.7 Å²	33.7	54%	0.54	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-65.6	-18.5	176.6	-69	-173.6	-179.6	-168	3.1	113.7	T313 F314 P315 S317 P367	T313-R369 PolarHBondContact O-NE 2.72Å; T313-R369 PolarHBondContact O-NH2 2.82Å; F314-R369 HydrophobicContact CD1-CG 4.4Å; P315-R369 WeakPolarHBondContact O-CA 3.3Å; S317-R369 WeakPolarHBondContact CA-O 3.34Å; S317-R369 VanDerWaalsContact CB-O 3.27Å; S317-R369 WeakPolarHBondContact CB-O 3.1Å; P367-R369 VanDerWaalsContact C-N 3.28Å; P367-R369 PolarHBondContact O-N 2.7Å
370	S	97.8	Very high	97.5	Very high	68 Å²	68	29.8 Å²	29.8	48%	0.476	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-91.2	-10.6	174.9	-60.2	0	0	0	0	112.8	P367 K368	P367-S370 WeakPolarHBondContact O-CB 3.47Å; P367-S370 PolarHBondContact O-N 2.94Å; K368-S370 PolarHBondContact O-N 2.79Å
371	A	98.5	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.			trans	-82.4	139.6	177.1	0	0	0	0	0	111.1	Y316 S317 I346 F366 K368 V383 T384	Y316-A371 HydrophobicContact CD1-CB 3.8Å; Y316-A371 HydrophobicContact CE1-CB 4.09Å; S317-A371 VanDerWaalsContact CB-O 3.24Å; S317-A371 WeakPolarHBondContact CB-O 3.19Å; S317-A371 PolarHBondContact N-O 3.33Å; S317-A371 PolarHBondContact OG-O 3.17Å; I346-A371 HydrophobicContact CD1-CB 4.25Å; F366-A371 HydrophobicContact CD1-CB 4.42Å; F366-A371 HydrophobicContact CE1-CB 3.94Å; K368-A371 WeakPolarHBondContact O-CB 3.49Å; K368-A371 PolarHBondContact O-N 2.86Å; A371-V383 HydrophobicContact CB-CG1 3.32Å; A371-T384 CarbonylContact C-O 3.52Å; A371-T384 WeakPolarHBondContact CA-O 3.03Å
372	G	98.2	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-69.7	-56.9	168.7	0	0	0	0	0	111.5	Y316 S317 W318 T384	Y316-G372 WeakPolarHBondContact CB-O 3.45Å; S317-G372 WeakPolarHBondContact OG-CA 3.4Å; W318-G372 VanDerWaalsContact CD1-O 3.3Å; G372-T384 VanDerWaalsContact CA-OG1 3.3Å; G372-T384 WeakPolarHBondContact CA-OG1 3.27Å; G372-T384 PolarHBondContact N-O 3.41Å
373	E	98.3	Very high	97.6	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.014	12%	0.123	C	C	.	.			trans	-158.5	171.5	178.3	-89.7	-56.1	152.3	0	0	108.1	Y316 W318 T384 I418 M421	Y316-E373 WeakPolarHBondContact CD2-OE1 3.24Å; Y316-E373 WeakPolarHBondContact CE2-OE2 3.35Å; W318-E373 PolarHBondContact NE1-OE1 3.25Å; E373-T384 PolarHBondContact N-OG1 3.34Å; E373-T384 PolarHBondContact O-N 3.13Å; E373-T384 PolarHBondContact O-OG1 2.9Å; E373-I418 HydrophobicContact CG-CG2 3.9Å; E373-M421 HydrophobicContact CB-CB 3.94Å; E373-M421 HydrophobicContact CG-CB 4.12Å
374	S	98.5	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.7	170.8	75.4	0	0	0	0	112.5	Y316 Y382	Y316-S374 PolarHBondContact OH-OG 2.84Å; S374-Y382 CarbonylContact C-O 3.54Å; S374-Y382 WeakPolarHBondContact CA-O 3.33Å; S374-Y382 VanDerWaalsContact CB-O 3.23Å; S374-Y382 WeakPolarHBondContact CB-O 3.27Å
375	F	98.6	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	157.5	177.3	53.3	-89.6	0	0	0	110.8	L199 I377 Y382 I393 M421 L430	L199-F375 HydrophobicContact CD2-CE2 4Å; L199-F375 HydrophobicContact CD2-CZ 3.98Å; F375-I377 HydrophobicContact CD2-CD1 3.98Å; F375-I377 HydrophobicContact CD2-CG1 3.94Å; F375-I377 HydrophobicContact CE2-CD1 3.67Å; F375-I377 HydrophobicContact CE2-CG1 4.11Å; F375-Y382 HydrophobicContact CD2-CD2 4.37Å; F375-Y382 AromaticContact CE2-CD2 3.92Å; F375-Y382 HydrophobicContact CE2-CD2 3.92Å; F375-Y382 AromaticContact CE2-CG 3.94Å; F375-Y382 HydrophobicContact CE2-CG 3.94Å; F375-Y382 HydrophobicContact CZ-CG 4.29Å; F375-Y382 PolarHBondContact N-O 3.48Å; F375-Y382 PolarHBondContact O-N 2.59Å; F375-I393 HydrophobicContact CE1-CD1 4.27Å; F375-I393 HydrophobicContact CE1-CG1 4.2Å; F375-I393 HydrophobicContact CZ-CD1 3.73Å; F375-I393 HydrophobicContact CZ-CG1 4.05Å; F375-M421 HydrophobicContact CD1-CE 4.43Å; F375-M421 HydrophobicContact CD1-CG 4.06Å; F375-M421 HydrophobicContact CD1-SD 4.42Å; F375-M421 HydrophobicContact CE1-CE 3.82Å; F375-M421 HydrophobicContact CE1-CG 4.37Å; F375-M421 HydrophobicContact CE1-SD 4.21Å; F375-L430 HydrophobicContact CB-CD2 4.4Å; F375-L430 HydrophobicContact CD1-CD2 4.09Å; F375-L430 HydrophobicContact CD2-CD2 3.6Å; F375-L430 HydrophobicContact CE1-CD1 4.26Å; F375-L430 HydrophobicContact CE1-CD2 4.28Å; F375-L430 HydrophobicContact CE2-CD1 4.29Å; F375-L430 HydrophobicContact CE2-CD2 3.79Å; F375-L430 HydrophobicContact CG-CD2 3.76Å; F375-L430 HydrophobicContact CZ-CD1 3.98Å; F375-L430 HydrophobicContact CZ-CD2 4.13Å
376	M	98	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.4	178	-71.3	-72.8	-71.7	0	0	110.9	M327 D329 W334 I348 T380 L381 T399 Y423	M327-M376 HydrophobicContact CG-CB 4.23Å; M327-M376 HydrophobicContact CG-CG 3.9Å; M327-M376 HydrophobicContact SD-CB 3.94Å; M327-M376 HydrophobicContact SD-CG 3.37Å; M327-M376 WeakPolarHBondContact SD-CG 3.39Å; M327-M376 PolarHBondContact SD-N 3.24Å; D329-M376 HydrophobicContact CB-CB 4.11Å; W334-M376 HydrophobicContact CB-CG 4.36Å; W334-M376 HydrophobicContact CD2-CE 3.65Å; W334-M376 HydrophobicContact CE3-CE 3.79Å; W334-M376 HydrophobicContact CG-CE 4.19Å; W334-M376 HydrophobicContact CG-CG 4.2Å; W334-M376 HydrophobicContact CH2-CE 3.91Å; W334-M376 HydrophobicContact CZ2-CE 3.8Å; W334-M376 HydrophobicContact CZ3-CE 3.89Å; I348-M376 HydrophobicContact CG2-CE 4.48Å; I348-M376 HydrophobicContact CG2-SD 4.34Å; M376-T380 WeakPolarHBondContact CA-O 3.33Å; M376-L381 HydrophobicContact CG-CD1 4.2Å; M376-L381 WeakPolarHBondContact SD-CA 3.36Å; M376-L381 HydrophobicContact SD-CB 3.57Å; M376-L381 VanDerWaalsContact SD-CB 3.57Å; M376-L381 HydrophobicContact SD-CD1 3.81Å; M376-L381 HydrophobicContact SD-CG 4.34Å; M376-L381 PolarHBondContact SD-N 2.7Å; M376-L381 VanDerWaalsContact SD-N 3.44Å; M376-T399 HydrophobicContact CE-CG2 4.21Å; M376-Y423 WeakPolarHBondContact O-CB 3.41Å; M376-Y423 WeakPolarHBondContact O-CD1 3.31Å
377	I	96.3	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.1	167.5	-57.8	177.6	0	0	0	107.1	L199 F375 G379 T380 Y382 Y423 V443 L445	L199-I377 HydrophobicContact CD1-CD1 4.25Å; L199-I377 HydrophobicContact CD2-CD1 4.4Å; F375-I377 HydrophobicContact CD2-CD1 3.98Å; F375-I377 HydrophobicContact CD2-CG1 3.94Å; F375-I377 HydrophobicContact CE2-CD1 3.67Å; F375-I377 HydrophobicContact CE2-CG1 4.11Å; I377-G379 PolarHBondContact O-N 3.08Å; I377-G379 VanDerWaalsContact O-N 3.11Å; I377-T380 PolarHBondContact N-O 2.86Å; I377-T380 WeakPolarHBondContact O-CB 3.3Å; I377-T380 PolarHBondContact O-N 2.83Å; I377-Y382 HydrophobicContact CB-CD2 4.32Å; I377-Y382 HydrophobicContact CB-CE2 4.03Å; I377-Y382 HydrophobicContact CD1-CD2 4.43Å; I377-Y382 HydrophobicContact CD1-CE2 4.49Å; I377-Y382 HydrophobicContact CG1-CD2 4.37Å; I377-Y382 HydrophobicContact CG1-CE2 4.48Å; I377-Y423 HydrophobicContact CB-CD1 4.42Å; I377-Y423 HydrophobicContact CB-CE1 4.37Å; I377-Y423 HydrophobicContact CD1-CD2 3.95Å; I377-Y423 HydrophobicContact CD1-CE2 4.09Å; I377-Y423 HydrophobicContact CD1-CG 4.29Å; I377-Y423 HydrophobicContact CG1-CD1 3.8Å; I377-Y423 HydrophobicContact CG1-CD2 3.83Å; I377-Y423 HydrophobicContact CG1-CE1 4.05Å; I377-Y423 HydrophobicContact CG1-CE2 4.1Å; I377-Y423 HydrophobicContact CG1-CG 3.67Å; I377-Y423 HydrophobicContact CG2-CE1 4.11Å; I377-V443 HydrophobicContact CD1-CG1 4.48Å; I377-L445 HydrophobicContact CD1-CD2 4.28Å; I377-L445 HydrophobicContact CG2-CD1 3.93Å; I377-L445 HydrophobicContact CG2-CD2 3.94Å
378	C	93.3	Very high	97.8	Very high	24 Å²	24	21.4 Å²	21.4	16%	0.162	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	36.9	173.2	-61	0	0	0	0	115.1	C196 D329 E330 T380	C196-C378 WeakPolarHBondContact CA-SG 3.5Å; C196-C378 HydrophobicContact CB-CB 3.61Å; C196-C378 WeakPolarHBondContact CB-SG 3.18Å; C196-C378 WeakPolarHBondContact SG-CB 3.5Å; C196-C378 CovalentContact SG-SG 2.03Å; C196-C378 PolarHBondContact SG-SG 3.35Å; D329-C378 PolarHBondContact OD2-N 2.95Å; E330-C378 PolarHBondContact OE1-SG 3.02Å; E330-C378 WeakPolarHBondContact OE2-CA 3.22Å; E330-C378 PolarHBondContact OE2-N 3.2Å; E330-C378 PolarHBondContact OE2-SG 2.9Å; E330-C378 VanDerWaalsContact OE2-SG 3.32Å; C378-T380 VanDerWaalsContact C-N 3.3Å; C378-T380 PolarHBondContact O-N 2.83Å
379	G	95.6	Very high	97.6	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	13.3	-177.9	0	0	0	0	0	114.2	D329 N331 I377 T399	D329-G379 WeakPolarHBondContact OD2-CA 3.24Å; D329-G379 PolarHBondContact OD2-N 2.9Å; N331-G379 WeakPolarHBondContact ND2-CA 3.49Å; N331-G379 PolarHBondContact ND2-N 3.34Å; N331-G379 VanDerWaalsContact ND2-N 3.19Å; I377-G379 PolarHBondContact O-N 3.08Å; I377-G379 VanDerWaalsContact O-N 3.11Å; G379-T399 WeakPolarHBondContact O-CB 3.29Å; G379-T399 VanDerWaalsContact O-CG2 3.28Å; G379-T399 WeakPolarHBondContact O-CG2 3.42Å; G379-T399 PolarHBondContact O-N 2.8Å; G379-T399 PolarHBondContact O-OG1 3.33Å
380	T	98.2	Very high	97.4	Very high	11 Å²	11	20.9 Å²	20.9	7%	0.067	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.6	174.9	-52.7	0	0	0	0	109.3	M376 I377 C378 Y382 A396 Y397 Y398	M376-T380 WeakPolarHBondContact CA-O 3.33Å; I377-T380 PolarHBondContact N-O 2.86Å; I377-T380 WeakPolarHBondContact O-CB 3.3Å; I377-T380 PolarHBondContact O-N 2.83Å; C378-T380 VanDerWaalsContact C-N 3.3Å; C378-T380 PolarHBondContact O-N 2.83Å; T380-Y382 HydrophobicContact CG2-CD2 4.31Å; T380-Y382 HydrophobicContact CG2-CE1 4.23Å; T380-Y382 HydrophobicContact CG2-CE2 3.7Å; T380-A396 HydrophobicContact CG2-CB 4.12Å; T380-Y397 CarbonylContact C-O 3.42Å; T380-Y397 VanDerWaalsContact CA-O 3.3Å; T380-Y397 WeakPolarHBondContact CA-O 3.28Å; T380-Y397 WeakPolarHBondContact CG2-O 3.46Å; T380-Y398 HydrophobicContact CG2-CD1 3.72Å; T380-Y398 HydrophobicContact CG2-CE1 3.75Å; T380-Y398 HydrophobicContact CG2-CG 4.3Å; T380-Y398 WeakPolarHBondContact OG1-CD1 3.36Å
381	L	98.8	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.2	172.2	-178.9	75.6	0	0	0	108.9	M327 V336 I346 I348 T364 M376 V383 A396 Y397	M327-L381 HydrophobicContact SD-CD1 4.4Å; V336-L381 HydrophobicContact CG2-CD1 3.78Å; I346-L381 HydrophobicContact CG2-CD2 3.76Å; I348-L381 HydrophobicContact CD1-CB 3.53Å; I348-L381 HydrophobicContact CD1-CD1 4.44Å; I348-L381 HydrophobicContact CD1-CD2 3.64Å; I348-L381 HydrophobicContact CD1-CG 4.05Å; I348-L381 HydrophobicContact CG1-CD2 3.9Å; T364-L381 HydrophobicContact CG2-CD2 4.06Å; M376-L381 HydrophobicContact CG-CD1 4.2Å; M376-L381 WeakPolarHBondContact SD-CA 3.36Å; M376-L381 HydrophobicContact SD-CB 3.57Å; M376-L381 VanDerWaalsContact SD-CB 3.57Å; M376-L381 HydrophobicContact SD-CD1 3.81Å; M376-L381 HydrophobicContact SD-CG 4.34Å; M376-L381 PolarHBondContact SD-N 2.7Å; M376-L381 VanDerWaalsContact SD-N 3.44Å; L381-V383 HydrophobicContact CD2-CG2 3.66Å; L381-V383 HydrophobicContact CG-CG2 3.9Å; L381-A396 CarbonylContact O-C 3.57Å; L381-A396 WeakPolarHBondContact O-CA 3.13Å; L381-Y397 PolarHBondContact N-O 3.33Å; L381-Y397 PolarHBondContact O-N 3.45Å
382	Y	98.8	Very high	97.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.1	170.8	-69	-81.2	0	0	0	109.8	L199 S374 F375 I377 T380 I393 F395 A396	L199-Y382 HydrophobicContact CB-CD1 4.38Å; L199-Y382 HydrophobicContact CB-CE1 3.75Å; L199-Y382 HydrophobicContact CB-CE2 3.96Å; L199-Y382 HydrophobicContact CD2-CD1 4.18Å; L199-Y382 HydrophobicContact CD2-CE1 4.37Å; L199-Y382 HydrophobicContact CD2-CG 4.25Å; L199-Y382 PolarHBondContact N-OH 3.15Å; S374-Y382 CarbonylContact C-O 3.54Å; S374-Y382 WeakPolarHBondContact CA-O 3.33Å; S374-Y382 VanDerWaalsContact CB-O 3.23Å; S374-Y382 WeakPolarHBondContact CB-O 3.27Å; F375-Y382 HydrophobicContact CD2-CD2 4.37Å; F375-Y382 AromaticContact CE2-CD2 3.92Å; F375-Y382 HydrophobicContact CE2-CD2 3.92Å; F375-Y382 AromaticContact CE2-CG 3.94Å; F375-Y382 HydrophobicContact CE2-CG 3.94Å; F375-Y382 HydrophobicContact CZ-CG 4.29Å; F375-Y382 PolarHBondContact N-O 3.48Å; F375-Y382 PolarHBondContact O-N 2.59Å; I377-Y382 HydrophobicContact CB-CD2 4.32Å; I377-Y382 HydrophobicContact CB-CE2 4.03Å; I377-Y382 HydrophobicContact CD1-CD2 4.43Å; I377-Y382 HydrophobicContact CD1-CE2 4.49Å; I377-Y382 HydrophobicContact CG1-CD2 4.37Å; I377-Y382 HydrophobicContact CG1-CE2 4.48Å; T380-Y382 HydrophobicContact CG2-CD2 4.31Å; T380-Y382 HydrophobicContact CG2-CE1 4.23Å; T380-Y382 HydrophobicContact CG2-CE2 3.7Å; Y382-I393 HydrophobicContact CD1-CG2 3.79Å; Y382-I393 HydrophobicContact CG-CG2 4.27Å; Y382-F395 WeakPolarHBondContact CA-O 2.94Å; Y382-A396 HydrophobicContact CD1-CB 3.86Å; Y382-A396 HydrophobicContact CE1-CB 3.71Å
383	V	98.8	Very high	97.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.8	-175.6	-176	0	0	0	0	109.9	I346 F366 A371 L381 Y394 F395	I346-V383 HydrophobicContact CD1-CG1 4.25Å; I346-V383 HydrophobicContact CD1-CG2 4.04Å; F366-V383 HydrophobicContact CD1-CG1 4Å; F366-V383 HydrophobicContact CE1-CG1 3.74Å; F366-V383 HydrophobicContact CZ-CG1 4.21Å; A371-V383 HydrophobicContact CB-CG1 3.32Å; L381-V383 HydrophobicContact CD2-CG2 3.66Å; L381-V383 HydrophobicContact CG-CG2 3.9Å; V383-Y394 PolarHBondContact O-N 2.79Å; V383-F395 HydrophobicContact CB-CB 4.2Å; V383-F395 HydrophobicContact CB-CD1 4.23Å; V383-F395 HydrophobicContact CG2-CD1 3.87Å; V383-F395 PolarHBondContact N-O 2.87Å; V383-F395 PolarHBondContact O-N 2.59Å
384	T	98.7	Very high	97.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	145.8	174.3	67.2	0	0	0	0	111	A371 G372 E373 S386 K392 I393 F411 M421	A371-T384 CarbonylContact C-O 3.52Å; A371-T384 WeakPolarHBondContact CA-O 3.03Å; G372-T384 VanDerWaalsContact CA-OG1 3.3Å; G372-T384 WeakPolarHBondContact CA-OG1 3.27Å; G372-T384 PolarHBondContact N-O 3.41Å; E373-T384 PolarHBondContact N-OG1 3.34Å; E373-T384 PolarHBondContact O-N 3.13Å; E373-T384 PolarHBondContact O-OG1 2.9Å; T384-S386 VanDerWaalsContact C-N 3.3Å; T384-S386 PolarHBondContact O-N 2.95Å; T384-S386 PolarHBondContact OG1-O 3.36Å; T384-K392 CarbonylContact C-O 3.51Å; T384-K392 VanDerWaalsContact CA-O 3.22Å; T384-K392 WeakPolarHBondContact CA-O 3.32Å; T384-I393 HydrophobicContact CG2-CG1 4.1Å; T384-F411 HydrophobicContact CG2-CE1 3.79Å; T384-F411 HydrophobicContact CG2-CZ 4.03Å; T384-M421 HydrophobicContact CG2-SD 4.08Å
385	N	97.9	Very high	97.3	Very high	60 Å²	60	24.2 Å²	24.2	32%	0.321	15%	0.15	S	C	.	.	S	Bend	trans	-79	-10.1	179.6	67.3	-20.8	0	0	0	114.5	K392 Y394	N385-K392 PolarHBondContact N-O 3.01Å; N385-K392 PolarHBondContact OD1-N 3.47Å; N385-K392 PolarHBondContact OD1-O 2.88Å; N385-Y394 HydrophobicContact CB-CD1 4.25Å; N385-Y394 HydrophobicContact CB-CG 4.06Å
386	S	97.5	Very high	97.3	Very high	30 Å²	30	24.2 Å²	24.2	21%	0.21	15%	0.15	C	C	.	.			trans	-163	155	-176.4	-176.9	0	0	0	0	110.3	T384 L388 A391	T384-S386 VanDerWaalsContact C-N 3.3Å; T384-S386 PolarHBondContact O-N 2.95Å; T384-S386 PolarHBondContact OG1-O 3.36Å; S386-L388 PolarHBondContact OG-N 2.87Å; S386-A391 WeakPolarHBondContact O-CB 3.21Å
387	H	97.5	Very high	97.3	Very high	26 Å²	26	24.8 Å²	24.8	12%	0.12	15%	0.153	C	C	.	.	S	Bend	trans	-95.1	-4.5	169.9	62.9	-86.6	0	0	0	112.4	S317 W318 N413 H417 I418	S317-H387 PolarHBondContact OG-ND1 2.86Å; W318-H387 HydrophobicContact CB-CB 4.14Å; H387-N413 PolarHBondContact O-ND2 3.21Å; H387-N413 VanDerWaalsContact O-ND2 3.11Å; H387-H417 AromaticContact CD2-CD2 3.57Å; H387-H417 AromaticContact CD2-NE2 3.6Å; H387-H417 AromaticContact NE2-NE2 3.93Å; H387-H417 CarbonylContact O-C 3.42Å; H387-H417 WeakPolarHBondContact O-CA 3.4Å; H387-I418 PolarHBondContact O-N 3.16Å
388	L	97.8	Very high	97.4	Very high	81 Å²	81	26.7 Å²	26.7	42%	0.424	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-96	179.4	-174.8	-60.9	175.3	0	0	0	112.6	S386 A391 N413 S416	S386-L388 PolarHBondContact OG-N 2.87Å; L388-A391 VanDerWaalsContact O-CB 3.28Å; L388-A391 WeakPolarHBondContact O-CB 3.37Å; L388-A391 PolarHBondContact O-N 3.36Å; L388-N413 PolarHBondContact O-ND2 3.19Å; L388-S416 VanDerWaalsContact CA-O 3.3Å; L388-S416 WeakPolarHBondContact CA-O 3.17Å
389	A	95.1	Very high	97.6	Very high	62 Å²	62	26.3 Å²	26.3	51%	0.512	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	142.2	173.2	0	0	0	0	0	111.5	A391	A389-A391 VanDerWaalsContact C-N 3.3Å
390	G	92.9	Very high	97.5	Very high	70 Å²	70	32.5 Å²	32.5	72%	0.722	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	9.2	-175.2	0	0	0	0	0	114.8
391	A	96.5	Very high	97.4	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.025	21%	0.212	C	C	.	.			trans	-58.5	148.1	170.7	0	0	0	0	0	112	S386 L388 A389 F411	S386-A391 WeakPolarHBondContact O-CB 3.21Å; L388-A391 VanDerWaalsContact O-CB 3.28Å; L388-A391 WeakPolarHBondContact O-CB 3.37Å; L388-A391 PolarHBondContact O-N 3.36Å; A389-A391 VanDerWaalsContact C-N 3.3Å; A391-F411 HydrophobicContact CB-CE1 4.01Å; A391-F411 HydrophobicContact CB-CE2 4.31Å; A391-F411 HydrophobicContact CB-CZ 3.54Å
392	K	97.8	Very high	97.3	Very high	51 Å²	51	39.6 Å²	39.6	22%	0.222	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.6	174.6	56.2	170.6	178.6	-175.8	0	110.2	T384 N385 Y394 D408	T384-K392 CarbonylContact C-O 3.51Å; T384-K392 VanDerWaalsContact CA-O 3.22Å; T384-K392 WeakPolarHBondContact CA-O 3.32Å; N385-K392 PolarHBondContact N-O 3.01Å; N385-K392 PolarHBondContact OD1-N 3.47Å; N385-K392 PolarHBondContact OD1-O 2.88Å; K392-Y394 PolarHBondContact O-N 2.99Å; K392-D408 WeakPolarHBondContact CD-OD1 3.34Å; K392-D408 WeakPolarHBondContact CE-OD1 3.14Å; K392-D408 VanDerWaalsContact NZ-CG 3.32Å; K392-D408 IonicContact NZ-OD1 2.69Å; K392-D408 PolarHBondContact NZ-OD1 3.43Å; K392-D408 IonicContact NZ-OD2 3.5Å
393	I	98.6	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	113.4	170.6	-60.5	150.4	0	0	0	106.8	L199 V202 F375 Y382 T384 T407 I409 F411	L199-I393 HydrophobicContact CD2-CD1 3.66Å; V202-I393 HydrophobicContact CG2-CD1 3.66Å; F375-I393 HydrophobicContact CE1-CD1 4.27Å; F375-I393 HydrophobicContact CE1-CG1 4.2Å; F375-I393 HydrophobicContact CZ-CD1 3.73Å; F375-I393 HydrophobicContact CZ-CG1 4.05Å; Y382-I393 HydrophobicContact CD1-CG2 3.79Å; Y382-I393 HydrophobicContact CG-CG2 4.27Å; T384-I393 HydrophobicContact CG2-CG1 4.1Å; I393-T407 CarbonylContact O-C 3.59Å; I393-T407 PolarHBondContact O-OG1 3.26Å; I393-I409 HydrophobicContact CB-CB 4.15Å; I393-I409 HydrophobicContact CD1-CB 4.42Å; I393-I409 HydrophobicContact CD1-CG2 4.2Å; I393-I409 PolarHBondContact N-O 3.24Å; I393-I409 PolarHBondContact O-N 2.95Å; I393-I409 VanDerWaalsContact O-N 3.12Å; I393-F411 HydrophobicContact CD1-CD1 4.42Å; I393-F411 HydrophobicContact CG1-CD1 4.19Å; I393-F411 HydrophobicContact CG1-CE1 4.29Å
394	Y	98.1	Very high	97.2	Very high	85 Å²	85	48.6 Å²	48.6	33%	0.333	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-15.1	-163.7	-178.8	-111.6	0	0	0	113.8	F366 V383 N385 K392 Y406 T407	F366-Y394 HydrophobicContact CE2-CD1 4.44Å; V383-Y394 PolarHBondContact O-N 2.79Å; N385-Y394 HydrophobicContact CB-CD1 4.25Å; N385-Y394 HydrophobicContact CB-CG 4.06Å; K392-Y394 PolarHBondContact O-N 2.99Å; Y394-Y406 AromaticContact CD1-CD1 3.86Å; Y394-Y406 HydrophobicContact CD1-CD1 3.86Å; Y394-Y406 HydrophobicContact CD1-CE1 4.19Å; Y394-Y406 AromaticContact CE1-CD1 3.31Å; Y394-Y406 HydrophobicContact CE1-CD1 3.31Å; Y394-Y406 AromaticContact CE1-CE1 3.52Å; Y394-Y406 HydrophobicContact CE1-CE1 3.52Å; Y394-Y406 HydrophobicContact CE1-CG 4.46Å; Y394-Y406 HydrophobicContact CE2-CD1 4.29Å; Y394-Y406 AromaticContact CZ-CD1 3.56Å; Y394-Y406 CarbonylContact O-C 3.52Å; Y394-Y406 VanDerWaalsContact O-CA 3.3Å; Y394-Y406 WeakPolarHBondContact O-CA 3.32Å; Y394-Y406 WeakPolarHBondContact O-CD1 3.34Å; Y394-T407 WeakPolarHBondContact CA-O 3.42Å; Y394-T407 WeakPolarHBondContact CA-OG1 3.38Å; Y394-T407 WeakPolarHBondContact CD2-O 3.37Å; Y394-T407 PolarHBondContact N-OG1 3.06Å; Y394-T407 PolarHBondContact O-N 2.79Å
395	F	98.6	Very high	97.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139	-178	176.2	-91.3	0	0	0	110.1	F366 Y382 V383 Y397 Y404 Y406 T407	F366-F395 HydrophobicContact CB-CD1 4.14Å; F366-F395 HydrophobicContact CB-CE1 3.83Å; F366-F395 HydrophobicContact CB-CE2 4.38Å; F366-F395 HydrophobicContact CB-CZ 3.96Å; F366-F395 HydrophobicContact CD2-CB 3.84Å; F366-F395 AromaticContact CD2-CD1 3.91Å; F366-F395 HydrophobicContact CD2-CD1 3.91Å; F366-F395 AromaticContact CD2-CD2 3.61Å; F366-F395 HydrophobicContact CD2-CD2 3.61Å; F366-F395 HydrophobicContact CD2-CE1 4.31Å; F366-F395 HydrophobicContact CD2-CE2 4.02Å; F366-F395 AromaticContact CD2-CG 3.52Å; F366-F395 HydrophobicContact CD2-CG 3.52Å; F366-F395 HydrophobicContact CD2-CZ 4.36Å; F366-F395 HydrophobicContact CE2-CB 3.78Å; F366-F395 HydrophobicContact CE2-CD2 4.21Å; F366-F395 HydrophobicContact CE2-CG 4Å; F366-F395 HydrophobicContact CG-CD1 4.15Å; F366-F395 HydrophobicContact CG-CE1 4.34Å; F366-F395 HydrophobicContact CG-CG 4.23Å; Y382-F395 WeakPolarHBondContact CA-O 2.94Å; V383-F395 HydrophobicContact CB-CB 4.2Å; V383-F395 HydrophobicContact CB-CD1 4.23Å; V383-F395 HydrophobicContact CG2-CD1 3.87Å; V383-F395 PolarHBondContact N-O 2.87Å; V383-F395 PolarHBondContact O-N 2.59Å; F395-Y397 HydrophobicContact CZ-CD2 4.43Å; F395-Y404 HydrophobicContact CD2-CD2 4.36Å; F395-Y404 AromaticContact CE2-CD2 3.51Å; F395-Y404 HydrophobicContact CE2-CD2 3.51Å; F395-Y404 HydrophobicContact CE2-CE2 4.37Å; F395-Y404 AromaticContact CE2-CG 3.6Å; F395-Y404 HydrophobicContact CE2-CG 3.6Å; F395-Y404 VanDerWaalsContact CZ-CB 3.43Å; F395-Y404 HydrophobicContact CZ-CD2 4.23Å; F395-Y404 AromaticContact CZ-CG 3.83Å; F395-Y404 HydrophobicContact CZ-CG 3.83Å; F395-Y406 HydrophobicContact CD2-CD1 4.16Å; F395-Y406 AromaticContact CD2-CE1 3.96Å; F395-Y406 HydrophobicContact CD2-CE1 3.96Å; F395-T407 PolarHBondContact N-OG1 2.88Å
396	A	98.6	Very high	97.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.2	174.7	0	0	0	0	0	110.2	T380 L381 Y382 Y398 Y404 E405 T407	T380-A396 HydrophobicContact CG2-CB 4.12Å; L381-A396 CarbonylContact O-C 3.57Å; L381-A396 WeakPolarHBondContact O-CA 3.13Å; Y382-A396 HydrophobicContact CD1-CB 3.86Å; Y382-A396 HydrophobicContact CE1-CB 3.71Å; A396-Y398 HydrophobicContact CB-CE2 4.43Å; A396-Y404 CarbonylContact O-C 3.54Å; A396-Y404 WeakPolarHBondContact O-CA 3.23Å; A396-Y404 WeakPolarHBondContact O-CB 3.47Å; A396-E405 HydrophobicContact CB-CG 4.15Å; A396-E405 PolarHBondContact N-O 3.49Å; A396-E405 PolarHBondContact O-N 3.26Å; A396-T407 HydrophobicContact CB-CG2 3.88Å
397	Y	98.7	Very high	97.1	Very high	12 Å²	12	54.2 Å²	54.2	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.8	174.5	-174.9	-83.5	0	0	0	110.6	I348 W362 D363 T364 T380 L381 F395 T399	I348-Y397 HydrophobicContact CD1-CD1 4Å; W362-Y397 HydrophobicContact CB-CE1 3.75Å; W362-Y397 AromaticContact CD1-CE1 3.92Å; W362-Y397 HydrophobicContact CG-CE1 4.04Å; D363-Y397 VanDerWaalsContact O-CE2 3.27Å; D363-Y397 WeakPolarHBondContact O-CE2 3.38Å; D363-Y397 PolarHBondContact O-OH 2.83Å; D363-Y397 VanDerWaalsContact O-OH 3.09Å; T364-Y397 HydrophobicContact CG2-CD1 4.2Å; T364-Y397 HydrophobicContact CG2-CD2 3.97Å; T364-Y397 HydrophobicContact CG2-CE2 4.43Å; T364-Y397 HydrophobicContact CG2-CG 3.85Å; T380-Y397 CarbonylContact C-O 3.42Å; T380-Y397 VanDerWaalsContact CA-O 3.3Å; T380-Y397 WeakPolarHBondContact CA-O 3.28Å; T380-Y397 WeakPolarHBondContact CG2-O 3.46Å; L381-Y397 PolarHBondContact N-O 3.33Å; L381-Y397 PolarHBondContact O-N 3.45Å; F395-Y397 HydrophobicContact CZ-CD2 4.43Å; Y397-T399 HydrophobicContact CD1-CG2 4.28Å; Y397-T399 HydrophobicContact CE1-CG2 4.37Å
398	Y	97.6	Very high	97.1	Very high	39 Å²	39	58.3 Å²	58.3	15%	0.153	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	105.9	-176.5	-63.1	-80.8	0	0	0	110.4	K198 T380 A396 N400 T401 S402 S403 E405	K198-Y398 WeakPolarHBondContact CD-OH 3.38Å; K198-Y398 WeakPolarHBondContact CE-OH 3.28Å; K198-Y398 PolarHBondContact NZ-OH 3.26Å; T380-Y398 HydrophobicContact CG2-CD1 3.72Å; T380-Y398 HydrophobicContact CG2-CE1 3.75Å; T380-Y398 HydrophobicContact CG2-CG 4.3Å; T380-Y398 WeakPolarHBondContact OG1-CD1 3.36Å; A396-Y398 HydrophobicContact CB-CE2 4.43Å; Y398-N400 VanDerWaalsContact C-N 3.26Å; Y398-N400 PolarHBondContact O-N 3.15Å; Y398-T401 VanDerWaalsContact CB-OG1 3.22Å; Y398-T401 WeakPolarHBondContact CB-OG1 3.41Å; Y398-T401 PolarHBondContact O-N 3.05Å; Y398-S402 WeakPolarHBondContact O-CA 3.21Å; Y398-S402 PolarHBondContact O-N 2.82Å; Y398-S403 PolarHBondContact N-O 2.69Å; Y398-S403 PolarHBondContact O-N 2.92Å; Y398-E405 HydrophobicContact CE2-CG 3.92Å; Y398-E405 PolarHBondContact OH-OE1 3.12Å
399	T	97.3	Very high	97.1	Very high	16 Å²	16	55.2 Å²	55.2	10%	0.098	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.2	-176.9	60.9	0	0	0	0	113.8	W334 I348 W362 M376 G379 Y397	W334-T399 HydrophobicContact CH2-CG2 4.34Å; W334-T399 HydrophobicContact CZ3-CG2 4.21Å; I348-T399 HydrophobicContact CD1-CG2 4.4Å; W362-T399 HydrophobicContact CD2-CG2 4.05Å; W362-T399 HydrophobicContact CE3-CG2 4.35Å; W362-T399 HydrophobicContact CG-CG2 4.32Å; W362-T399 HydrophobicContact CZ2-CG2 4.48Å; W362-T399 PolarHBondContact NE1-O 2.96Å; M376-T399 HydrophobicContact CE-CG2 4.21Å; G379-T399 WeakPolarHBondContact O-CB 3.29Å; G379-T399 VanDerWaalsContact O-CG2 3.28Å; G379-T399 WeakPolarHBondContact O-CG2 3.42Å; G379-T399 PolarHBondContact O-N 2.8Å; G379-T399 PolarHBondContact O-OG1 3.33Å; Y397-T399 HydrophobicContact CD1-CG2 4.28Å; Y397-T399 HydrophobicContact CE1-CG2 4.37Å
400	N	93.9	Very high	97.2	Very high	133 Å²	133	56.7 Å²	56.7	71%	0.711	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-31	179.9	64.5	-11.4	0	0	0	113.4	Y398	Y398-N400 VanDerWaalsContact C-N 3.26Å; Y398-N400 PolarHBondContact O-N 3.15Å
401	T	95.3	Very high	97.4	Very high	87 Å²	87	54.1 Å²	54.1	53%	0.534	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-7.2	-175	44.7	0	0	0	0	111.8	Y398 S403	Y398-T401 VanDerWaalsContact CB-OG1 3.22Å; Y398-T401 WeakPolarHBondContact CB-OG1 3.41Å; Y398-T401 PolarHBondContact O-N 3.05Å; T401-S403 PolarHBondContact O-N 3.33Å; T401-S403 PolarHBondContact OG1-OG 2.67Å; T401-S403 VanDerWaalsContact OG1-OG 3.08Å
402	S	97.1	Very high	97.5	Very high	73 Å²	73	59.2 Å²	59.2	51%	0.51	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	36.2	-175.3	-58.3	0	0	0	0	112.5	Y398	Y398-S402 WeakPolarHBondContact O-CA 3.21Å; Y398-S402 PolarHBondContact O-N 2.82Å
403	S	97.6	Very high	97.5	Very high	54 Å²	54	57.1 Å²	57.1	38%	0.378	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	161	179.3	64.9	0	0	0	0	111	Y398 T401	Y398-S403 PolarHBondContact N-O 2.69Å; Y398-S403 PolarHBondContact O-N 2.92Å; T401-S403 PolarHBondContact O-N 3.33Å; T401-S403 PolarHBondContact OG1-OG 2.67Å; T401-S403 VanDerWaalsContact OG1-OG 3.08Å
404	Y	97.9	Very high	97.3	Very high	134 Å²	134	61 Å²	61	53%	0.525	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	161.5	176.9	63.1	-95.1	0	0	0	112.1	F395 A396 Y406	F395-Y404 HydrophobicContact CD2-CD2 4.36Å; F395-Y404 AromaticContact CE2-CD2 3.51Å; F395-Y404 HydrophobicContact CE2-CD2 3.51Å; F395-Y404 HydrophobicContact CE2-CE2 4.37Å; F395-Y404 AromaticContact CE2-CG 3.6Å; F395-Y404 HydrophobicContact CE2-CG 3.6Å; F395-Y404 VanDerWaalsContact CZ-CB 3.43Å; F395-Y404 HydrophobicContact CZ-CD2 4.23Å; F395-Y404 AromaticContact CZ-CG 3.83Å; F395-Y404 HydrophobicContact CZ-CG 3.83Å; A396-Y404 CarbonylContact O-C 3.54Å; A396-Y404 WeakPolarHBondContact O-CA 3.23Å; A396-Y404 WeakPolarHBondContact O-CB 3.47Å; Y404-Y406 HydrophobicContact CE2-CE2 4.23Å
405	E	97.4	Very high	97.3	Very high	58 Å²	58	59.3 Å²	59.3	27%	0.271	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.4	167.3	72.6	-176.1	170	0	0	110.2	K198 A396 Y398 T407	K198-E405 WeakPolarHBondContact CE-OE1 3.32Å; K198-E405 IonicContact NZ-OE1 2.64Å; K198-E405 PolarHBondContact NZ-OE1 2.93Å; K198-E405 IonicContact NZ-OE2 2.64Å; K198-E405 PolarHBondContact NZ-OE2 2.9Å; A396-E405 HydrophobicContact CB-CG 4.15Å; A396-E405 PolarHBondContact N-O 3.49Å; A396-E405 PolarHBondContact O-N 3.26Å; Y398-E405 HydrophobicContact CE2-CG 3.92Å; Y398-E405 PolarHBondContact OH-OE1 3.12Å; E405-T407 HydrophobicContact CG-CG2 3.96Å
406	Y	97.9	Very high	97.1	Very high	136 Å²	136	62.4 Å²	62.4	53%	0.533	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.4	165.8	-69.9	-81.4	0	0	0	109.4	F366 Y394 F395 Y404	F366-Y406 HydrophobicContact CE2-CE1 4.36Å; Y394-Y406 AromaticContact CD1-CD1 3.86Å; Y394-Y406 HydrophobicContact CD1-CD1 3.86Å; Y394-Y406 HydrophobicContact CD1-CE1 4.19Å; Y394-Y406 AromaticContact CE1-CD1 3.31Å; Y394-Y406 HydrophobicContact CE1-CD1 3.31Å; Y394-Y406 AromaticContact CE1-CE1 3.52Å; Y394-Y406 HydrophobicContact CE1-CE1 3.52Å; Y394-Y406 HydrophobicContact CE1-CG 4.46Å; Y394-Y406 HydrophobicContact CE2-CD1 4.29Å; Y394-Y406 AromaticContact CZ-CD1 3.56Å; Y394-Y406 CarbonylContact O-C 3.52Å; Y394-Y406 VanDerWaalsContact O-CA 3.3Å; Y394-Y406 WeakPolarHBondContact O-CA 3.32Å; Y394-Y406 WeakPolarHBondContact O-CD1 3.34Å; F395-Y406 HydrophobicContact CD2-CD1 4.16Å; F395-Y406 AromaticContact CD2-CE1 3.96Å; F395-Y406 HydrophobicContact CD2-CE1 3.96Å; Y404-Y406 HydrophobicContact CE2-CE2 4.23Å
407	T	97.1	Very high	97.1	Very high	16 Å²	16	62.8 Å²	62.8	10%	0.098	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	168.1	-178.1	60.9	0	0	0	0	111	I393 Y394 F395 A396 E405	I393-T407 CarbonylContact O-C 3.59Å; I393-T407 PolarHBondContact O-OG1 3.26Å; Y394-T407 WeakPolarHBondContact CA-O 3.42Å; Y394-T407 WeakPolarHBondContact CA-OG1 3.38Å; Y394-T407 WeakPolarHBondContact CD2-O 3.37Å; Y394-T407 PolarHBondContact N-OG1 3.06Å; Y394-T407 PolarHBondContact O-N 2.79Å; F395-T407 PolarHBondContact N-OG1 2.88Å; A396-T407 HydrophobicContact CB-CG2 3.88Å; E405-T407 HydrophobicContact CG-CG2 3.96Å
408	D	97	Very high	97.1	Very high	112 Å²	112	62.4 Å²	62.4	60%	0.599	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	62.7	173.6	-162.1	9.9	0	0	0	110.4	K392 P410	K392-D408 WeakPolarHBondContact CD-OD1 3.34Å; K392-D408 WeakPolarHBondContact CE-OD1 3.14Å; K392-D408 VanDerWaalsContact NZ-CG 3.32Å; K392-D408 IonicContact NZ-OD1 2.69Å; K392-D408 PolarHBondContact NZ-OD1 3.43Å; K392-D408 IonicContact NZ-OD2 3.5Å; D408-P410 WeakPolarHBondContact O-CD 3.39Å
409	I	97.9	Very high	97.1	Very high	17 Å²	17	60.5 Å²	60.5	9%	0.087	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.4	-178.2	-56.2	164.7	0	0	0	108	L199 V202 I393	L199-I409 HydrophobicContact CB-CD1 4.38Å; L199-I409 HydrophobicContact CD2-CD1 4.3Å; L199-I409 HydrophobicContact CG-CD1 4.13Å; L199-I409 VanDerWaalsContact O-CD1 3.29Å; L199-I409 WeakPolarHBondContact O-CD1 3.46Å; V202-I409 HydrophobicContact CG2-CG2 4.16Å; I393-I409 HydrophobicContact CB-CB 4.15Å; I393-I409 HydrophobicContact CD1-CB 4.42Å; I393-I409 HydrophobicContact CD1-CG2 4.2Å; I393-I409 PolarHBondContact N-O 3.24Å; I393-I409 PolarHBondContact O-N 2.95Å; I393-I409 VanDerWaalsContact O-N 3.12Å
410	P	97.6	Very high	97.1	Very high	93 Å²	93	59.9 Å²	59.9	60%	0.604	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	150.2	-178.9	31.6	-35.2	0	0	0	111.1	D408	D408-P410 WeakPolarHBondContact O-CD 3.39Å
411	F	97.8	Very high	97.3	Very high	16 Å²	16	53.6 Å²	53.6	7%	0.07	28%	0.279	C	S	.	.			trans	-145.6	154.4	165.3	69.4	-87	0	0	0	109.4	V202 T384 A391 I393 N413 I418 M421 Y441	V202-F411 HydrophobicContact CB-CB 3.94Å; V202-F411 HydrophobicContact CG1-CB 3.74Å; T384-F411 HydrophobicContact CG2-CE1 3.79Å; T384-F411 HydrophobicContact CG2-CZ 4.03Å; A391-F411 HydrophobicContact CB-CE1 4.01Å; A391-F411 HydrophobicContact CB-CE2 4.31Å; A391-F411 HydrophobicContact CB-CZ 3.54Å; I393-F411 HydrophobicContact CD1-CD1 4.42Å; I393-F411 HydrophobicContact CG1-CD1 4.19Å; I393-F411 HydrophobicContact CG1-CE1 4.29Å; F411-N413 HydrophobicContact CE2-CB 4.29Å; F411-N413 PolarHBondContact O-N 2.85Å; F411-I418 HydrophobicContact CE2-CD1 3.58Å; F411-I418 HydrophobicContact CZ-CD1 4.07Å; F411-M421 HydrophobicContact CE2-CE 4.39Å; F411-M421 HydrophobicContact CZ-CE 4.38Å; F411-M421 HydrophobicContact CZ-SD 4.32Å; F411-Y441 HydrophobicContact CD2-CE1 4.37Å
412	H	97.4	Very high	97.4	Very high	109 Å²	109	50 Å²	50	51%	0.505	26%	0.257	S	S	.	.			trans	-93.6	104	-176.2	-176.6	63.7	0	0	0	111.8	P205 Q414 Y441	P205-H412 HydrophobicContact CG-CB 4.42Å; H412-Q414 PolarHBondContact O-N 2.96Å; H412-Q414 VanDerWaalsContact O-N 3.1Å; H412-Y441 PolarHBondContact O-OH 3.31Å
413	N	97.3	Very high	97.5	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	23%	0.233	C	C	.	.			trans	-75.8	89	170.6	-177.8	-5.6	0	0	0	110.7	H387 L388 F411 Y415 S416 I418 N434	H387-N413 PolarHBondContact O-ND2 3.21Å; H387-N413 VanDerWaalsContact O-ND2 3.11Å; L388-N413 PolarHBondContact O-ND2 3.19Å; F411-N413 HydrophobicContact CE2-CB 4.29Å; F411-N413 PolarHBondContact O-N 2.85Å; N413-Y415 PolarHBondContact O-N 3.33Å; N413-S416 PolarHBondContact OD1-N 3.15Å; N413-I418 HydrophobicContact CB-CD1 4.26Å; N413-N434 PolarHBondContact OD1-ND2 2.9Å; N413-N434 PolarHBondContact OD1-OD1 2.89Å; N413-N434 VanDerWaalsContact OD1-OD1 3.12Å
414	Q	96.3	Very high	97.4	Very high	81 Å²	81	44.2 Å²	44.2	38%	0.379	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-34.5	-171.7	-179.3	170.6	-7.6	0	0	114.4	P205 H412	P205-Q414 HydrophobicContact CB-CB 4.41Å; P205-Q414 HydrophobicContact CG-CB 3.86Å; H412-Q414 PolarHBondContact O-N 2.96Å; H412-Q414 VanDerWaalsContact O-N 3.1Å
415	Y	97.4	Very high	97	Very high	51 Å²	51	38 Å²	38	20%	0.2	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	21.5	-175.2	-52	-78.5	0	0	0	113.2	T207 N413 H417 N434 N435 H437 V439	T207-Y415 HydrophobicContact CG2-CE2 4.4Å; T207-Y415 WeakPolarHBondContact CG2-OH 3.36Å; T207-Y415 WeakPolarHBondContact OG1-CE2 3.02Å; T207-Y415 PolarHBondContact OG1-OH 2.97Å; N413-Y415 PolarHBondContact O-N 3.33Å; Y415-H417 PolarHBondContact O-N 2.92Å; Y415-N434 WeakPolarHBondContact CB-OD1 3.15Å; Y415-N434 HydrophobicContact CD2-CB 4.14Å; Y415-N434 WeakPolarHBondContact CD2-OD1 3.32Å; Y415-N434 PolarHBondContact N-OD1 2.86Å; Y415-N435 WeakPolarHBondContact O-CB 3.39Å; Y415-H437 AromaticContact CD1-CE1 3.71Å; Y415-H437 AromaticContact CD1-CG 3.93Å; Y415-H437 AromaticContact CD1-ND1 3.73Å; Y415-H437 AromaticContact CD1-NE2 3.88Å; Y415-H437 HydrophobicContact CD2-CB 3.65Å; Y415-H437 AromaticContact CD2-CG 3.72Å; Y415-H437 AromaticContact CE1-CD2 3.54Å; Y415-H437 AromaticContact CE1-CE1 3.9Å; Y415-H437 AromaticContact CE1-CG 3.89Å; Y415-H437 AromaticContact CE1-NE2 3.58Å; Y415-H437 HydrophobicContact CE2-CB 3.62Å; Y415-H437 AromaticContact CE2-CD2 3.87Å; Y415-H437 AromaticContact CE2-CG 3.68Å; Y415-H437 HydrophobicContact CG-CB 4.23Å; Y415-H437 AromaticContact CG-CG 3.83Å; Y415-H437 AromaticContact CG-ND1 3.69Å; Y415-H437 AromaticContact CZ-CD2 3.46Å; Y415-H437 VanDerWaalsContact CZ-CD2 3.46Å; Y415-H437 AromaticContact CZ-CG 3.75Å; Y415-V439 HydrophobicContact CD2-CG2 4.05Å; Y415-V439 HydrophobicContact CE2-CG2 3.83Å
416	S	94.1	Very high	96.4	Very high	66 Å²	66	36.8 Å²	36.8	46%	0.462	19%	0.185	S	C	.	.	S	Bend	trans	62.1	-4.3	167.3	-55.7	0	0	0	0	117.7	L388 N413	L388-S416 VanDerWaalsContact CA-O 3.3Å; L388-S416 WeakPolarHBondContact CA-O 3.17Å; N413-S416 PolarHBondContact OD1-N 3.15Å
417	H	97.8	Very high	95.9	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.042	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-150.1	107.8	-178.8	-173.3	-74	0	0	0	112.5	R214 F215 H387 Y415 N434 N435	R214-H417 PolarHBondContact NH2-CD2 2.77Å; R214-H417 PolarHBondContact NH2-NE2 3.45Å; F215-H417 AromaticContact CD1-CE1 3.95Å; F215-H417 AromaticContact CE1-CE1 3.46Å; F215-H417 VanDerWaalsContact CE1-CE1 3.46Å; F215-H417 WeakPolarHBondContact CE1-CE1 3.49Å; H387-H417 AromaticContact CD2-CD2 3.57Å; H387-H417 AromaticContact CD2-NE2 3.6Å; H387-H417 AromaticContact NE2-NE2 3.93Å; H387-H417 CarbonylContact O-C 3.42Å; H387-H417 WeakPolarHBondContact O-CA 3.4Å; Y415-H417 PolarHBondContact O-N 2.92Å; H417-N434 PolarHBondContact N-ND2 3.11Å; H417-N434 CarbonylContact O-C 3.54Å; H417-N434 VanDerWaalsContact O-CA 3.31Å; H417-N434 WeakPolarHBondContact O-CA 3.43Å; H417-N434 PolarHBondContact O-ND2 3.4Å; H417-N435 HydrophobicContact CB-CB 4.18Å; H417-N435 PolarHBondContact O-N 2.9Å
418	I	98.5	Very high	95.6	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.3	177.9	-66.8	171.8	0	0	0	109.5	E373 H387 F411 N413 M420 M421 T432 N434	E373-I418 HydrophobicContact CG-CG2 3.9Å; H387-I418 PolarHBondContact O-N 3.16Å; F411-I418 HydrophobicContact CE2-CD1 3.58Å; F411-I418 HydrophobicContact CZ-CD1 4.07Å; N413-I418 HydrophobicContact CB-CD1 4.26Å; I418-M420 WeakPolarHBondContact CG2-O 3.42Å; I418-M421 HydrophobicContact CG2-CB 4.21Å; I418-T432 HydrophobicContact CD1-CG2 4.16Å; I418-T432 HydrophobicContact CG1-CG2 3.97Å; I418-T432 HydrophobicContact CG2-CG2 3.89Å; I418-N434 HydrophobicContact CG1-CB 4.44Å
419	S	98	Very high	95.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	-0.4	174.9	68.9	0	0	0	0	113.7	F215 G216 T270 W318 W433	F215-S419 WeakPolarHBondContact CA-OG 3.3Å; G216-S419 PolarHBondContact N-OG 3.45Å; G216-S419 PolarHBondContact O-OG 3.28Å; T270-S419 VanDerWaalsContact CB-O 3.27Å; T270-S419 WeakPolarHBondContact CB-O 3.39Å; T270-S419 PolarHBondContact OG1-O 3.28Å; W318-S419 WeakPolarHBondContact CZ2-O 3.42Å; S419-W433 PolarHBondContact N-O 2.9Å
420	M	98.4	Very high	95.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	136.5	178.1	171.1	-103.3	170.8	0	0	107.6	G216 W218 M219 I418 D422 T432 W433	G216-M420 WeakPolarHBondContact O-CB 3.02Å; W218-M420 WeakPolarHBondContact O-CE 3.13Å; M219-M420 HydrophobicContact CE-CE 4.29Å; I418-M420 WeakPolarHBondContact CG2-O 3.42Å; M420-D422 HydrophobicContact CE-CB 3.48Å; M420-D422 VanDerWaalsContact CE-CB 3.48Å; M420-D422 WeakPolarHBondContact CE-OD2 3.46Å; M420-T432 VanDerWaalsContact O-CA 3.24Å; M420-T432 WeakPolarHBondContact O-CA 3.24Å; M420-T432 WeakPolarHBondContact O-CG2 3.28Å; M420-W433 HydrophobicContact CB-CB 4.02Å; M420-W433 PolarHBondContact O-N 3.46Å
421	M	98.4	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	92.6	176.9	-175.4	168.5	-175.9	0	0	109.5	E373 F375 T384 F411 I418 L430 Y431	E373-M421 HydrophobicContact CB-CB 3.94Å; E373-M421 HydrophobicContact CG-CB 4.12Å; F375-M421 HydrophobicContact CD1-CE 4.43Å; F375-M421 HydrophobicContact CD1-CG 4.06Å; F375-M421 HydrophobicContact CD1-SD 4.42Å; F375-M421 HydrophobicContact CE1-CE 3.82Å; F375-M421 HydrophobicContact CE1-CG 4.37Å; F375-M421 HydrophobicContact CE1-SD 4.21Å; T384-M421 HydrophobicContact CG2-SD 4.08Å; F411-M421 HydrophobicContact CE2-CE 4.39Å; F411-M421 HydrophobicContact CZ-CE 4.38Å; F411-M421 HydrophobicContact CZ-SD 4.32Å; I418-M421 HydrophobicContact CG2-CB 4.21Å; M421-L430 HydrophobicContact CE-CD1 3.57Å; M421-Y431 CarbonylContact C-O 3.58Å; M421-Y431 VanDerWaalsContact CA-O 3.26Å; M421-Y431 WeakPolarHBondContact CA-O 3.3Å
422	D	97.6	Very high	95.6	Very high	11 Å²	11	26.7 Å²	26.7	6%	0.059	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.2	-178.6	-71.9	-48.5	0	0	0	112.8	M420 L430 Y431	M420-D422 HydrophobicContact CE-CB 3.48Å; M420-D422 VanDerWaalsContact CE-CB 3.48Å; M420-D422 WeakPolarHBondContact CE-OD2 3.46Å; D422-L430 CarbonylContact O-C 3.56Å; D422-L430 VanDerWaalsContact O-CA 3.3Å; D422-L430 WeakPolarHBondContact O-CA 3.38Å; D422-Y431 PolarHBondContact N-O 3.26Å; D422-Y431 PolarHBondContact O-N 2.76Å
423	Y	97.8	Very high	95.7	Very high	5 Å²	5	21.6 Å²	21.6	2%	0.02	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	138.6	172.9	-178.9	-117.4	0	0	0	112.1	D329 E330 M376 I377 P425 R428 L430 V443	D329-Y423 HydrophobicContact CB-CD1 4.45Å; E330-Y423 WeakPolarHBondContact OE1-CE1 3.27Å; E330-Y423 PolarHBondContact OE1-OH 2.87Å; E330-Y423 VanDerWaalsContact OE1-OH 3.09Å; M376-Y423 WeakPolarHBondContact O-CB 3.41Å; M376-Y423 WeakPolarHBondContact O-CD1 3.31Å; I377-Y423 HydrophobicContact CB-CD1 4.42Å; I377-Y423 HydrophobicContact CB-CE1 4.37Å; I377-Y423 HydrophobicContact CD1-CD2 3.95Å; I377-Y423 HydrophobicContact CD1-CE2 4.09Å; I377-Y423 HydrophobicContact CD1-CG 4.29Å; I377-Y423 HydrophobicContact CG1-CD1 3.8Å; I377-Y423 HydrophobicContact CG1-CD2 3.83Å; I377-Y423 HydrophobicContact CG1-CE1 4.05Å; I377-Y423 HydrophobicContact CG1-CE2 4.1Å; I377-Y423 HydrophobicContact CG1-CG 3.67Å; I377-Y423 HydrophobicContact CG2-CE1 4.11Å; Y423-P425 HydrophobicContact CD1-CB 4.29Å; Y423-P425 HydrophobicContact CE1-CB 3.69Å; Y423-R428 HydrophobicContact CE2-CB 4.45Å; Y423-L430 HydrophobicContact CD2-CD2 4.04Å; Y423-L430 HydrophobicContact CG-CD2 4.45Å; Y423-V443 HydrophobicContact CE2-CG2 3.77Å
424	N	94.8	Very high	95.7	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.011	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110	165.3	-169.8	-36.4	0	0	0	110.3	T220 R426 E427 R428 V429 Y431	T220-N424 PolarHBondContact OG1-ND2 2.65Å; N424-R426 PolarHBondContact O-N 3.08Å; N424-R426 WeakPolarHBondContact OD1-CB 3.35Å; N424-R426 PolarHBondContact OD1-N 3.38Å; N424-E427 PolarHBondContact O-N 3.04Å; N424-R428 WeakPolarHBondContact O-CA 3.16Å; N424-R428 PolarHBondContact O-N 2.97Å; N424-V429 PolarHBondContact N-O 3.09Å; N424-Y431 HydrophobicContact CB-CD2 3.86Å; N424-Y431 HydrophobicContact CB-CE2 3.69Å
425	P	90.4	Very high	95.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.013	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.6	-178.9	27.1	-35.7	0	0	0	113.9	E330 Y423	E330-P425 HydrophobicContact CG-CB 3.96Å; Y423-P425 HydrophobicContact CD1-CB 4.29Å; Y423-P425 HydrophobicContact CE1-CB 3.69Å
426	R	85.9	Confident	95.8	Very high	34 Å²	34	18.5 Å²	18.5	13%	0.128	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-42.9	178.4	-173	-176.9	72	168.8	5.7	111.8	T220 D221 D228 N424	T220-R426 PolarHBondContact OG1-NH2 3.01Å; D221-R426 PolarHBondContact O-NH1 3.17Å; D228-R426 PolarHBondContact O-NH1 2.85Å; D228-R426 PolarHBondContact O-NH2 3.24Å; N424-R426 PolarHBondContact O-N 3.08Å; N424-R426 WeakPolarHBondContact OD1-CB 3.35Å; N424-R426 PolarHBondContact OD1-N 3.38Å
427	E	86.6	Confident	96	Very high	68 Å²	68	17.5 Å²	17.5	32%	0.318	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-13.9	-174.7	-70	169.1	-151.2	0	0	112.4	T220 N424 V429 Y431	T220-E427 PolarHBondContact OG1-OE1 3.22Å; N424-E427 PolarHBondContact O-N 3.04Å; E427-V429 VanDerWaalsContact C-N 3.32Å; E427-V429 HydrophobicContact CB-CG1 4.38Å; E427-V429 HydrophobicContact CB-CG2 3.76Å; E427-Y431 PolarHBondContact OE1-OH 2.83Å; E427-Y431 PolarHBondContact OE2-OH 3.48Å
428	R	90.1	Very high	96.1	Very high	97 Å²	97	17.1 Å²	17.1	37%	0.366	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	49.4	-173.3	-54.5	-170.1	171.8	168.7	1.3	112.2	G195 Y423 N424 V443	G195-R428 PolarHBondContact O-NH2 2.66Å; Y423-R428 HydrophobicContact CE2-CB 4.45Å; N424-R428 WeakPolarHBondContact O-CA 3.16Å; N424-R428 PolarHBondContact O-N 2.97Å; R428-V443 HydrophobicContact CB-CG2 4.27Å; R428-V443 VanDerWaalsContact O-CG2 3.31Å; R428-V443 WeakPolarHBondContact O-CG2 3.33Å; R428-V443 PolarHBondContact O-N 2.79Å
429	V	95.1	Very high	96.1	Very high	10 Å²	10	17 Å²	17	6%	0.061	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.3	177.9	-58.7	0	0	0	0	110.2	N424 E427 Y431 L440 Y441 N442	N424-V429 PolarHBondContact N-O 3.09Å; E427-V429 VanDerWaalsContact C-N 3.32Å; E427-V429 HydrophobicContact CB-CG1 4.38Å; E427-V429 HydrophobicContact CB-CG2 3.76Å; V429-Y431 HydrophobicContact CG2-CD2 3.83Å; V429-Y431 HydrophobicContact CG2-CE2 3.39Å; V429-L440 HydrophobicContact CB-CD2 4.43Å; V429-L440 HydrophobicContact CG2-CD2 3.93Å; V429-Y441 CarbonylContact C-O 3.49Å; V429-Y441 VanDerWaalsContact CA-O 3.25Å; V429-Y441 WeakPolarHBondContact CA-O 3.37Å; V429-Y441 WeakPolarHBondContact CB-O 3.43Å; V429-N442 VanDerWaalsContact CG1-OD1 3.31Å; V429-N442 WeakPolarHBondContact CG1-OD1 3.29Å
430	L	98.4	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.7	169.6	-60.8	166.7	0	0	0	108.6	V202 F375 M421 D422 Y423 L440 Y441 V443	V202-L430 HydrophobicContact CG1-CD1 4.45Å; V202-L430 HydrophobicContact CG2-CD1 4.49Å; F375-L430 HydrophobicContact CB-CD2 4.4Å; F375-L430 HydrophobicContact CD1-CD2 4.09Å; F375-L430 HydrophobicContact CD2-CD2 3.6Å; F375-L430 HydrophobicContact CE1-CD1 4.26Å; F375-L430 HydrophobicContact CE1-CD2 4.28Å; F375-L430 HydrophobicContact CE2-CD1 4.29Å; F375-L430 HydrophobicContact CE2-CD2 3.79Å; F375-L430 HydrophobicContact CG-CD2 3.76Å; F375-L430 HydrophobicContact CZ-CD1 3.98Å; F375-L430 HydrophobicContact CZ-CD2 4.13Å; M421-L430 HydrophobicContact CE-CD1 3.57Å; D422-L430 CarbonylContact O-C 3.56Å; D422-L430 VanDerWaalsContact O-CA 3.3Å; D422-L430 WeakPolarHBondContact O-CA 3.38Å; Y423-L430 HydrophobicContact CD2-CD2 4.04Å; Y423-L430 HydrophobicContact CG-CD2 4.45Å; L430-L440 WeakPolarHBondContact O-CA 3.49Å; L430-Y441 HydrophobicContact CB-CD2 4.48Å; L430-Y441 PolarHBondContact N-O 3.35Å; L430-Y441 PolarHBondContact O-N 3.39Å; L430-V443 HydrophobicContact CD1-CG1 3.63Å; L430-V443 HydrophobicContact CD2-CG1 4.42Å; L430-V443 HydrophobicContact CG-CG1 3.66Å
431	Y	98.6	Very high	96.1	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.8	169.5	-79.7	-103.5	0	0	0	108.9	W218 T220 M421 D422 N424 E427 V429 L440	W218-Y431 AromaticContact CD2-CD1 3.74Å; W218-Y431 HydrophobicContact CD2-CD1 3.74Å; W218-Y431 HydrophobicContact CD2-CE1 4.26Å; W218-Y431 AromaticContact CE2-CD1 3.6Å; W218-Y431 AromaticContact CE3-CD1 3.84Å; W218-Y431 HydrophobicContact CE3-CD1 3.84Å; W218-Y431 AromaticContact CE3-CE1 3.87Å; W218-Y431 HydrophobicContact CE3-CE1 3.87Å; W218-Y431 HydrophobicContact CG-CD1 4.47Å; W218-Y431 AromaticContact CH2-CD1 3.68Å; W218-Y431 HydrophobicContact CH2-CD1 3.68Å; W218-Y431 AromaticContact CH2-CE1 3.61Å; W218-Y431 HydrophobicContact CH2-CE1 3.61Å; W218-Y431 AromaticContact CZ2-CD1 3.58Å; W218-Y431 HydrophobicContact CZ2-CD1 3.58Å; W218-Y431 HydrophobicContact CZ2-CE1 4.02Å; W218-Y431 HydrophobicContact CZ2-CG 4.43Å; W218-Y431 AromaticContact CZ3-CD1 3.82Å; W218-Y431 HydrophobicContact CZ3-CD1 3.82Å; W218-Y431 AromaticContact CZ3-CE1 3.54Å; W218-Y431 HydrophobicContact CZ3-CE1 3.54Å; T220-Y431 HydrophobicContact CG2-CE1 4.25Å; T220-Y431 VanDerWaalsContact CG2-OH 3.26Å; T220-Y431 WeakPolarHBondContact CG2-OH 3.48Å; T220-Y431 PolarHBondContact OG1-OH 2.8Å; M421-Y431 CarbonylContact C-O 3.58Å; M421-Y431 VanDerWaalsContact CA-O 3.26Å; M421-Y431 WeakPolarHBondContact CA-O 3.3Å; D422-Y431 PolarHBondContact N-O 3.26Å; D422-Y431 PolarHBondContact O-N 2.76Å; N424-Y431 HydrophobicContact CB-CD2 3.86Å; N424-Y431 HydrophobicContact CB-CE2 3.69Å; E427-Y431 PolarHBondContact OE1-OH 2.83Å; E427-Y431 PolarHBondContact OE2-OH 3.48Å; V429-Y431 HydrophobicContact CG2-CD2 3.83Å; V429-Y431 HydrophobicContact CG2-CE2 3.39Å; Y431-L440 HydrophobicContact CD1-CD2 3.77Å; Y431-L440 HydrophobicContact CD2-CD2 3.87Å; Y431-L440 HydrophobicContact CE1-CD2 3.79Å; Y431-L440 HydrophobicContact CE2-CD2 3.87Å; Y431-L440 HydrophobicContact CG-CD2 3.8Å
432	T	98.6	Very high	95.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.9	-175.8	-55.9	0	0	0	0	111.4	W218 I418 M420 N434 V439 Y441	W218-T432 PolarHBondContact NE1-O 3.21Å; I418-T432 HydrophobicContact CD1-CG2 4.16Å; I418-T432 HydrophobicContact CG1-CG2 3.97Å; I418-T432 HydrophobicContact CG2-CG2 3.89Å; M420-T432 VanDerWaalsContact O-CA 3.24Å; M420-T432 WeakPolarHBondContact O-CA 3.24Å; M420-T432 WeakPolarHBondContact O-CG2 3.28Å; T432-N434 HydrophobicContact CG2-CB 4.27Å; T432-V439 PolarHBondContact N-O 3.43Å; T432-V439 PolarHBondContact O-N 3.44Å; T432-Y441 HydrophobicContact CG2-CE2 4.15Å; T432-Y441 WeakPolarHBondContact OG1-CE2 3.5Å
433	W	98.7	Very high	95.7	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.8	164.8	-166.9	-75	0	0	0	109.5	S213 R214 F215 G216 W218 D235 S419 M420 Q438	S213-W433 WeakPolarHBondContact O-CZ2 2.98Å; S213-W433 PolarHBondContact O-NE1 3.3Å; R214-W433 PolarHBondContact O-NE1 3.05Å; F215-W433 VanDerWaalsContact C-NE1 3.34Å; G216-W433 VanDerWaalsContact C-CD2 3.49Å; G216-W433 WeakPolarHBondContact O-CB 3.32Å; W218-W433 HydrophobicContact CB-CE3 4.46Å; D235-W433 HydrophobicContact CB-CH2 4.4Å; S419-W433 PolarHBondContact N-O 2.9Å; M420-W433 HydrophobicContact CB-CB 4.02Å; M420-W433 PolarHBondContact O-N 3.46Å; W433-Q438 HydrophobicContact CE3-CG 3.98Å; W433-Q438 HydrophobicContact CZ3-CG 4.11Å
434	N	98.4	Very high	95.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	92.9	-173	-166.6	-159.7	0	0	0	110.1	N413 Y415 H417 I418 T432 G436 H437 V439	N413-N434 PolarHBondContact OD1-ND2 2.9Å; N413-N434 PolarHBondContact OD1-OD1 2.89Å; N413-N434 VanDerWaalsContact OD1-OD1 3.12Å; Y415-N434 WeakPolarHBondContact CB-OD1 3.15Å; Y415-N434 HydrophobicContact CD2-CB 4.14Å; Y415-N434 WeakPolarHBondContact CD2-OD1 3.32Å; Y415-N434 PolarHBondContact N-OD1 2.86Å; H417-N434 PolarHBondContact N-ND2 3.11Å; H417-N434 CarbonylContact O-C 3.54Å; H417-N434 VanDerWaalsContact O-CA 3.31Å; H417-N434 WeakPolarHBondContact O-CA 3.43Å; H417-N434 PolarHBondContact O-ND2 3.4Å; I418-N434 HydrophobicContact CG1-CB 4.44Å; T432-N434 HydrophobicContact CG2-CB 4.27Å; N434-G436 PolarHBondContact O-N 2.86Å; N434-H437 PolarHBondContact N-O 2.78Å; N434-H437 VanDerWaalsContact O-CB 3.28Å; N434-H437 WeakPolarHBondContact O-CB 3.27Å; N434-H437 PolarHBondContact O-N 3.05Å; N434-H437 PolarHBondContact O-ND1 2.88Å; N434-V439 HydrophobicContact CB-CG2 4.12Å
435	N	98.1	Very high	94.9	Very high	67 Å²	67	27.5 Å²	27.5	36%	0.358	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	50.8	176.7	-163.1	24.7	0	0	0	113.9	R214 Y415 H417 H437	R214-N435 WeakPolarHBondContact CG-OD1 3.42Å; Y415-N435 WeakPolarHBondContact O-CB 3.39Å; H417-N435 HydrophobicContact CB-CB 4.18Å; H417-N435 PolarHBondContact O-N 2.9Å; N435-H437 VanDerWaalsContact C-N 3.35Å; N435-H437 PolarHBondContact O-ND1 2.86Å
436	G	98.1	Very high	94.6	Very high	8 Å²	8	33.3 Å²	33.3	8%	0.082	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	9.8	-177.2	0	0	0	0	0	115.1	A210 S211 S213 N434	A210-G436 CarbonylContact C-O 3.52Å; S211-G436 CarbonylContact C-O 3.55Å; S211-G436 PolarHBondContact N-O 3.09Å; S211-G436 VanDerWaalsContact O-O 3.07Å; S213-G436 WeakPolarHBondContact O-CA 3.31Å; S213-G436 PolarHBondContact O-N 2.89Å; N434-G436 PolarHBondContact O-N 2.86Å
437	H	98.7	Very high	94.1	Very high	44 Å²	44	35.3 Å²	35.3	20%	0.204	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134	174.8	-55.5	72.5	0	0	0	110.1	R209 Y415 N434 N435 V439	R209-H437 CarbonylContact O-C 3.56Å; R209-H437 WeakPolarHBondContact O-CA 3.15Å; Y415-H437 AromaticContact CD1-CE1 3.71Å; Y415-H437 AromaticContact CD1-CG 3.93Å; Y415-H437 AromaticContact CD1-ND1 3.73Å; Y415-H437 AromaticContact CD1-NE2 3.88Å; Y415-H437 HydrophobicContact CD2-CB 3.65Å; Y415-H437 AromaticContact CD2-CG 3.72Å; Y415-H437 AromaticContact CE1-CD2 3.54Å; Y415-H437 AromaticContact CE1-CE1 3.9Å; Y415-H437 AromaticContact CE1-CG 3.89Å; Y415-H437 AromaticContact CE1-NE2 3.58Å; Y415-H437 HydrophobicContact CE2-CB 3.62Å; Y415-H437 AromaticContact CE2-CD2 3.87Å; Y415-H437 AromaticContact CE2-CG 3.68Å; Y415-H437 HydrophobicContact CG-CB 4.23Å; Y415-H437 AromaticContact CG-CG 3.83Å; Y415-H437 AromaticContact CG-ND1 3.69Å; Y415-H437 AromaticContact CZ-CD2 3.46Å; Y415-H437 VanDerWaalsContact CZ-CD2 3.46Å; Y415-H437 AromaticContact CZ-CG 3.75Å; N434-H437 PolarHBondContact N-O 2.78Å; N434-H437 VanDerWaalsContact O-CB 3.28Å; N434-H437 WeakPolarHBondContact O-CB 3.27Å; N434-H437 PolarHBondContact O-N 3.05Å; N434-H437 PolarHBondContact O-ND1 2.88Å; N435-H437 VanDerWaalsContact C-N 3.35Å; N435-H437 PolarHBondContact O-ND1 2.86Å; H437-V439 HydrophobicContact CB-CG2 4.03Å
438	Q	98.6	Very high	92.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	113.7	172.9	-70	87.8	45.4	0	0	108.3	V208 R209 S211 W218 F252 W433	V208-Q438 WeakPolarHBondContact CB-O 3.16Å; V208-Q438 PolarHBondContact N-O 3.48Å; R209-Q438 HydrophobicContact CB-CB 4.41Å; R209-Q438 PolarHBondContact N-O 3.43Å; R209-Q438 PolarHBondContact O-N 3.42Å; R209-Q438 PolarHBondContact O-OE1 3.03Å; S211-Q438 PolarHBondContact O-NE2 2.89Å; W218-Q438 HydrophobicContact CB-CG 4.16Å; W218-Q438 HydrophobicContact CD2-CB 3.66Å; W218-Q438 HydrophobicContact CD2-CG 3.73Å; W218-Q438 VanDerWaalsContact CE2-CB 3.46Å; W218-Q438 HydrophobicContact CE3-CB 4.21Å; W218-Q438 HydrophobicContact CE3-CG 4.43Å; W218-Q438 HydrophobicContact CG-CB 4Å; W218-Q438 HydrophobicContact CG-CG 3.53Å; W218-Q438 HydrophobicContact CH2-CB 4.4Å; W218-Q438 HydrophobicContact CZ2-CB 3.87Å; F252-Q438 HydrophobicContact CE1-CB 4.12Å; F252-Q438 HydrophobicContact CE1-CG 4.37Å; F252-Q438 HydrophobicContact CZ-CB 4Å; F252-Q438 HydrophobicContact CZ-CG 3.74Å; W433-Q438 HydrophobicContact CE3-CG 3.98Å; W433-Q438 HydrophobicContact CZ3-CG 4.11Å
439	V	98.5	Very high	91.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.4	-168.6	-177.7	0	0	0	0	109.4	P205 I206 Y415 T432 N434 H437 Y441	P205-V439 HydrophobicContact CB-CG1 3.44Å; P205-V439 VanDerWaalsContact CB-CG1 3.44Å; I206-V439 WeakPolarHBondContact O-CA 3.35Å; Y415-V439 HydrophobicContact CD2-CG2 4.05Å; Y415-V439 HydrophobicContact CE2-CG2 3.83Å; T432-V439 PolarHBondContact N-O 3.43Å; T432-V439 PolarHBondContact O-N 3.44Å; N434-V439 HydrophobicContact CB-CG2 4.12Å; H437-V439 HydrophobicContact CB-CG2 4.03Å; V439-Y441 HydrophobicContact CG1-CD2 4.42Å; V439-Y441 HydrophobicContact CG1-CE2 3.81Å
440	L	98.3	Very high	89	Confident	23 Å²	23	46.1 Å²	46.1	12%	0.12	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147	172.1	-68	172.7	0	0	0	111.1	I206 V208 W218 V429 L430 Y431	I206-L440 HydrophobicContact CB-CB 4.41Å; I206-L440 PolarHBondContact N-O 2.64Å; I206-L440 PolarHBondContact O-N 3.07Å; V208-L440 HydrophobicContact CG2-CD1 3.7Å; V208-L440 HydrophobicContact CG2-CG 3.85Å; W218-L440 HydrophobicContact CH2-CD1 4.12Å; W218-L440 HydrophobicContact CH2-CD2 3.69Å; W218-L440 HydrophobicContact CH2-CG 3.71Å; W218-L440 HydrophobicContact CZ2-CD2 3.69Å; W218-L440 HydrophobicContact CZ2-CG 3.86Å; V429-L440 HydrophobicContact CB-CD2 4.43Å; V429-L440 HydrophobicContact CG2-CD2 3.93Å; L430-L440 WeakPolarHBondContact O-CA 3.49Å; Y431-L440 HydrophobicContact CD1-CD2 3.77Å; Y431-L440 HydrophobicContact CD2-CD2 3.87Å; Y431-L440 HydrophobicContact CE1-CD2 3.79Å; Y431-L440 HydrophobicContact CE2-CD2 3.87Å; Y431-L440 HydrophobicContact CG-CD2 3.8Å
441	Y	98	Very high	86.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.4	165.4	-56.1	-97.3	0	0	0	109.9	V202 S203 P205 F411 H412 V429 L430 T432 V439	V202-Y441 HydrophobicContact CG1-CD1 3.77Å; V202-Y441 HydrophobicContact CG1-CG 3.9Å; S203-Y441 WeakPolarHBondContact O-CD1 2.99Å; P205-Y441 HydrophobicContact CB-CD1 4.26Å; P205-Y441 HydrophobicContact CB-CE1 3.54Å; P205-Y441 HydrophobicContact CG-CE1 4.15Å; F411-Y441 HydrophobicContact CD2-CE1 4.37Å; H412-Y441 PolarHBondContact O-OH 3.31Å; V429-Y441 CarbonylContact C-O 3.49Å; V429-Y441 VanDerWaalsContact CA-O 3.25Å; V429-Y441 WeakPolarHBondContact CA-O 3.37Å; V429-Y441 WeakPolarHBondContact CB-O 3.43Å; L430-Y441 HydrophobicContact CB-CD2 4.48Å; L430-Y441 PolarHBondContact N-O 3.35Å; L430-Y441 PolarHBondContact O-N 3.39Å; T432-Y441 HydrophobicContact CG2-CE2 4.15Å; T432-Y441 WeakPolarHBondContact OG1-CE2 3.5Å; V439-Y441 HydrophobicContact CG1-CD2 4.42Å; V439-Y441 HydrophobicContact CG1-CE2 3.81Å
442	N	93.5	Very high	83.6	Confident	80 Å²	80	58 Å²	58	43%	0.428	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	141.7	169.2	-64.5	-25.4	0	0	0	109.2	S203 V429	S203-N442 PolarHBondContact N-O 2.68Å; S203-N442 PolarHBondContact OG-N 2.83Å; V429-N442 VanDerWaalsContact CG1-OD1 3.31Å; V429-N442 WeakPolarHBondContact CG1-OD1 3.29Å
443	V	93.8	Very high	81.1	Confident	19 Å²	19	61.1 Å²	61.1	12%	0.115	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.5	175.6	-61.7	0	0	0	0	111.8	L199 I377 Y423 R428 L430 L445	L199-V443 HydrophobicContact CD1-CB 3.65Å; L199-V443 HydrophobicContact CD1-CG1 3.9Å; I377-V443 HydrophobicContact CD1-CG1 4.48Å; Y423-V443 HydrophobicContact CE2-CG2 3.77Å; R428-V443 HydrophobicContact CB-CG2 4.27Å; R428-V443 VanDerWaalsContact O-CG2 3.31Å; R428-V443 WeakPolarHBondContact O-CG2 3.33Å; R428-V443 PolarHBondContact O-N 2.79Å; L430-V443 HydrophobicContact CD1-CG1 3.63Å; L430-V443 HydrophobicContact CD2-CG1 4.42Å; L430-V443 HydrophobicContact CG-CG1 3.66Å; V443-L445 HydrophobicContact CB-CD2 4.49Å; V443-L445 HydrophobicContact CG2-CD2 4.17Å; V443-L445 HydrophobicContact CG2-CG 4.4Å
444	T	88.6	Confident	77.9	Confident	83 Å²	83	72.6 Å²	72.6	51%	0.509	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.6	171	-55.7	0	0	0	0	108.7	T200 G201	T200-T444 PolarHBondContact N-O 3.06Å; T200-T444 PolarHBondContact OG1-O 2.89Å; G201-T444 PolarHBondContact N-O 2.83Å; G201-T444 PolarHBondContact O-N 3.1Å
445	L	88.8	Confident	76.9	Confident	38 Å²	38	76.3 Å²	76.3	20%	0.199	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.5	179.6	-52.1	-176.7	0	0	0	109.9	K198 L199 I377 V443	K198-L445 CarbonylContact O-C 3.49Å; K198-L445 WeakPolarHBondContact O-CA 3.36Å; L199-L445 HydrophobicContact CB-CD2 4.23Å; L199-L445 HydrophobicContact CD1-CD2 3.9Å; I377-L445 HydrophobicContact CD1-CD2 4.28Å; I377-L445 HydrophobicContact CG2-CD1 3.93Å; I377-L445 HydrophobicContact CG2-CD2 3.94Å; V443-L445 HydrophobicContact CB-CD2 4.49Å; V443-L445 HydrophobicContact CG2-CD2 4.17Å; V443-L445 HydrophobicContact CG2-CG 4.4Å
446	F	82.8	Confident	75.8	Confident	124 Å²	124	76.7 Å²	76.7	54%	0.544	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.3	173.6	177.4	-103.2	0	0	0	110.3	G197 K198 T200 V448	G197-F446 CarbonylContact C-O 3.54Å; G197-F446 WeakPolarHBondContact CA-O 2.87Å; K198-F446 PolarHBondContact N-O 3.44Å; K198-F446 PolarHBondContact O-N 3.44Å; T200-F446 HydrophobicContact CG2-CB 3.48Å; T200-F446 VanDerWaalsContact CG2-CB 3.48Å; T200-F446 HydrophobicContact CG2-CG 4.45Å; F446-V448 HydrophobicContact CD1-CG2 4.26Å; F446-V448 HydrophobicContact CE1-CG2 3.34Å; F446-V448 HydrophobicContact CZ-CG2 3.74Å
447	Q	76.2	Confident	74.5	Confident	76 Å²	76	80.6 Å²	80.6	36%	0.355	45%	0.451	S	S	.	.			trans	-123.6	126.4	-179.6	-174.7	177.2	7.4	0	0	110	L194 C196 I449	L194-Q447 VanDerWaalsContact O-CD 3.29Å; L194-Q447 PolarHBondContact O-NE2 3.42Å; L194-Q447 PolarHBondContact O-OE1 2.87Å; C196-Q447 WeakPolarHBondContact O-CB 3.13Å; C196-Q447 WeakPolarHBondContact O-CG 3.36Å; C196-Q447 PolarHBondContact O-OE1 3.02Å; Q447-I449 HydrophobicContact CG-CG1 4.32Å
448	V	61	Low	73.1	Confident	94 Å²	94	82.7 Å²	82.7	57%	0.57	47%	0.465	S	S	*	.			trans	-93.8	106.9	167.3	-175.2	0	0	0	0	107.3	F446 K450	F446-V448 HydrophobicContact CD1-CG2 4.26Å; F446-V448 HydrophobicContact CE1-CG2 3.34Å; F446-V448 HydrophobicContact CZ-CG2 3.74Å; V448-K450 HydrophobicContact CG1-CG 4.06Å; V448-K450 PolarHBondContact O-N 2.74Å; V448-K450 VanDerWaalsContact O-N 3.11Å
449	I	57.7	Low	71.5	Confident	122 Å²	122	87.8 Å²	87.8	63%	0.626	49%	0.494	S	S	*	.			trans	-77	97.3	170.6	-56.1	176.1	0	0	0	106.6	Q447 T451	Q447-I449 HydrophobicContact CG-CG1 4.32Å; I449-T451 PolarHBondContact O-N 3.31Å
450	K	46.7	Very low	69.7	Low	185 Å²	185	93.7 Å²	93.7	80%	0.804	53%	0.527	S	S	*	.			trans	-79.7	108.3	167.9	-69.9	-170.5	176.5	-173	0	108	V448 S452	V448-K450 HydrophobicContact CG1-CG 4.06Å; V448-K450 PolarHBondContact O-N 2.74Å; V448-K450 VanDerWaalsContact O-N 3.11Å; K450-S452 PolarHBondContact O-N 3.43Å
451	T	42.2	Very low	67.7	Low	121 Å²	121	98.7 Å²	98.7	74%	0.742	56%	0.556	S	S	*	*			trans	-66.4	122.1	163.2	42.6	0	0	0	0	107.6	I449 G453	I449-T451 PolarHBondContact O-N 3.31Å; T451-G453 PolarHBondContact O-N 3.05Å
452	S	40	Very low	65.3	Low	133 Å²	133	106.3 Å²	106.3	93%	0.93	60%	0.599	S	S	*	*	S	Bend	trans	-61.6	100.5	174.8	45.7	0	0	0	0	109.5	K450	K450-S452 PolarHBondContact O-N 3.43Å
453	G	46.8	Very low	63	Low	64 Å²	64	108.5 Å²	108.5	66%	0.66	61%	0.613	S	S	*	*			trans	172.7	25	-177.4	0	0	0	0	0	116.3	T451	T451-G453 PolarHBondContact O-N 3.05Å
454	D	31.3	Very low	60.2	Low	243 Å²	243	116.6 Å²	116.6	100%	1.299	66%	0.658	S	S	*	*			trans	-137.5	0	164.6	-80.5	-34.3	0	0	0	110.4

Retrieved 454 of 454 residues in 132.1 ms (Link to these results)

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