A0A077Z1N9_TRITR Loading...

Probable enoyl-CoA hydratase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z1N9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 290 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	33.3	Very low	42.9	Very low	246 Å²	246	128.5 Å²	128.5	100%	1.212	73%	0.733	S	S	*	*				0	95.9	0	-79	173.9	159.7	0	0	110
2	K	35.4	Very low	43	Very low	207 Å²	207	130.3 Å²	130.3	90%	0.9	73%	0.734	S	S	*	*			trans	-143.3	85.7	160.6	-81.3	-170.5	177.8	176.9	0	106.3	L4	K2-L4 PolarHBondContact O-N 3.48Å
3	G	36.5	Very low	42.6	Very low	78 Å²	78	129.4 Å²	129.4	80%	0.804	73%	0.725	S	S	*	*			trans	-66.9	123.9	175.4	0	0	0	0	0	109	N5	G3-N5 PolarHBondContact O-N 3.34Å
4	L	37.7	Very low	42.4	Very low	174 Å²	174	129.8 Å²	129.8	91%	0.911	72%	0.715	S	S	*	*			trans	-60.7	126.9	170.2	-93.1	87.1	0	0	0	108.9	K2 S6	K2-L4 PolarHBondContact O-N 3.48Å; L4-S6 PolarHBondContact O-N 3.31Å
5	N	39.8	Very low	41.9	Very low	131 Å²	131	132.6 Å²	132.6	70%	0.701	72%	0.718	S	S	*	*			trans	-63.1	97.5	-176	-117.5	-28	0	0	0	111.3	G3 S7	G3-N5 PolarHBondContact O-N 3.34Å; N5-S7 PolarHBondContact O-N 2.97Å; N5-S7 VanDerWaalsContact O-N 3.13Å
6	S	50.1	Low	41.4	Very low	102 Å²	102	131 Å²	131	71%	0.713	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-10.1	175.1	60.9	0	0	0	0	114	L4	L4-S6 PolarHBondContact O-N 3.31Å
7	S	49.1	Very low	41	Very low	64 Å²	64	131.1 Å²	131.1	45%	0.448	71%	0.711	S	S	.	*	H	α-helix	trans	-68.5	-33.7	179.9	172.5	0	0	0	0	114	N5 N11	N5-S7 PolarHBondContact O-N 2.97Å; N5-S7 VanDerWaalsContact O-N 3.13Å; S7-N11 PolarHBondContact O-N 2.95Å
8	L	48.2	Very low	40.5	Very low	131 Å²	131	132.4 Å²	132.4	69%	0.686	72%	0.717	S	S	*	*	H	α-helix	trans	-71.3	-36.6	-178.5	-100.4	107	0	0	0	112.8	N11 M12	L8-N11 PolarHBondContact O-N 2.97Å; L8-M12 PolarHBondContact O-N 3.37Å
9	A	50.4	Low	40.1	Very low	71 Å²	71	129.4 Å²	129.4	59%	0.587	71%	0.712	S	S	*	*	H	α-helix	trans	-67.1	-38	178.6	0	0	0	0	0	111.8	M12 L13	A9-M12 PolarHBondContact O-N 3.36Å; A9-L13 PolarHBondContact O-N 3.15Å
10	L	45.6	Very low	39.8	Very low	114 Å²	114	130.9 Å²	130.9	60%	0.597	72%	0.718	S	S	*	*	H	α-helix	trans	-70.6	-32.4	180	-144.1	78.8	0	0	0	112.5	K14	L10-K14 PolarHBondContact O-N 3.34Å
11	N	45.7	Very low	39.4	Very low	95 Å²	95	127.6 Å²	127.6	51%	0.508	72%	0.715	S	S	.	*	H	α-helix	trans	-76.8	-29	177.2	-82.9	-21.7	0	0	0	113.4	S7 L8 K15	S7-N11 PolarHBondContact O-N 2.95Å; L8-N11 PolarHBondContact O-N 2.97Å; N11-K15 PolarHBondContact O-N 2.65Å
12	M	43.8	Very low	39.3	Very low	150 Å²	150	124.5 Å²	124.5	74%	0.739	70%	0.7	S	S	*	*	H	α-helix	trans	-69.4	-39.4	170.8	-101.4	-160.1	153	0	0	112	L8 A9 K14 K15 V16	L8-M12 PolarHBondContact O-N 3.37Å; A9-M12 PolarHBondContact O-N 3.36Å; M12-K14 VanDerWaalsContact C-N 3.32Å; M12-K14 PolarHBondContact O-N 3.43Å; M12-K15 PolarHBondContact O-N 2.76Å; M12-V16 PolarHBondContact O-N 3.22Å
13	L	39	Very low	39.5	Very low	119 Å²	119	120.6 Å²	120.6	62%	0.623	69%	0.687	S	S	*	*	H	α-helix	trans	-64.1	-37	176.5	-126.2	86.4	0	0	0	112.3	A9 K15 V16 I17	A9-L13 PolarHBondContact O-N 3.15Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.27Å; L13-V16 PolarHBondContact O-N 3.43Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3.47Å
14	K	38.8	Very low	39.5	Very low	135 Å²	135	127 Å²	127	59%	0.587	69%	0.688	S	S	*	*	H	α-helix	trans	-67.4	-30.3	174.9	-77.3	-176.5	175.5	-178	0	113.4	L10 M12	L10-K14 PolarHBondContact O-N 3.34Å; M12-K14 VanDerWaalsContact C-N 3.32Å; M12-K14 PolarHBondContact O-N 3.43Å
15	K	35	Very low	39.4	Very low	172 Å²	172	125.2 Å²	125.2	75%	0.748	68%	0.679	S	S	*	*	H	α-helix	trans	-77.3	-27.8	177.5	-79.6	-174.1	175.4	-176.1	0	113.5	N11 M12 L13	N11-K15 PolarHBondContact O-N 2.65Å; M12-K15 PolarHBondContact O-N 2.76Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.27Å
16	V	34.3	Very low	39.6	Very low	107 Å²	107	124.5 Å²	124.5	65%	0.648	68%	0.679	S	S	*	*	H	α-helix	trans	-77.2	-29.3	176.7	177.2	0	0	0	0	112	M12 L13 L18	M12-V16 PolarHBondContact O-N 3.22Å; L13-V16 PolarHBondContact O-N 3.43Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 3.18Å
17	I	34.2	Very low	39.4	Very low	132 Å²	132	130.2 Å²	130.2	68%	0.677	69%	0.685	S	S	*	*	H	α-helix	trans	-75.6	-19.5	-179.4	-65.3	169.1	0	0	0	112.7	L13	L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3.47Å
18	L	31.6	Very low	39.3	Very low	155 Å²	155	129.1 Å²	129.1	81%	0.812	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-1.6	179	-86.9	153.8	0	0	0	114.8	V16	V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 3.18Å
19	A	34.2	Very low	39.4	Very low	75 Å²	75	126.7 Å²	126.7	62%	0.62	67%	0.666	S	S	*	*	S	Bend	trans	-97.4	-11.9	-174.7	0	0	0	0	0	115.6
20	N	33.9	Very low	39.6	Very low	159 Å²	159	126.1 Å²	126.1	85%	0.85	66%	0.658	S	S	*	*	S	Bend	trans	-126.1	42.2	-172.5	-78.1	-23.1	0	0	0	114.4
21	G	31.4	Very low	40.1	Very low	63 Å²	63	126.6 Å²	126.6	65%	0.649	67%	0.665	S	S	*	*			trans	-119.2	14.2	177	0	0	0	0	0	115	I23	G21-I23 PolarHBondContact O-N 3.24Å
22	M	31.7	Very low	42	Very low	180 Å²	180	125.4 Å²	125.4	89%	0.887	68%	0.675	S	S	*	*			trans	-78.4	82.1	164.9	-94	-172	179.8	0	0	108.3	R24	M22-R24 PolarHBondContact O-N 3.27Å
23	I	37.9	Very low	44.6	Very low	125 Å²	125	120.1 Å²	120.1	64%	0.641	65%	0.649	S	S	*	*			trans	-61	93.7	156.2	-60.5	172.3	0	0	0	104.7	G21 N25	G21-I23 PolarHBondContact O-N 3.24Å; I23-N25 PolarHBondContact O-N 3.42Å
24	R	36.5	Very low	47.3	Very low	214 Å²	214	121.3 Å²	121.3	81%	0.808	65%	0.649	S	S	*	*			trans	-58.1	108.3	166.8	-80.6	-177.8	171.5	178.1	-2.4	105.2	M22 V26	M22-R24 PolarHBondContact O-N 3.27Å; R24-V26 PolarHBondContact O-N 3.46Å
25	N	36.9	Very low	50.2	Low	136 Å²	136	116.9 Å²	116.9	73%	0.727	63%	0.629	S	S	*	*			trans	-58.1	91	161	-80	-29.5	0	0	0	106.1	I23 R27	I23-N25 PolarHBondContact O-N 3.42Å; N25-R27 PolarHBondContact O-N 3.22Å
26	V	42.5	Very low	53.2	Low	115 Å²	115	109 Å²	109	70%	0.697	60%	0.595	S	S	*	*			trans	-67.1	86.3	167	-179.7	0	0	0	0	104.4	R24 F28	R24-V26 PolarHBondContact O-N 3.46Å; V26-F28 PolarHBondContact O-N 3.3Å
27	R	46.1	Very low	56.2	Low	223 Å²	223	107.5 Å²	107.5	84%	0.842	58%	0.582	S	S	*	*			trans	-58.5	124.8	170.1	-78	-177.6	173.3	177.3	-1.8	106.4	N25 S29	N25-R27 PolarHBondContact O-N 3.22Å; R27-S29 PolarHBondContact O-N 3.45Å
28	F	47.1	Very low	59.3	Low	40 Å²	40	101.4 Å²	101.4	18%	0.175	55%	0.551	C	S	.	*			trans	-50.9	109.1	172.1	-171.5	-98.8	0	0	0	110.1	V26 C38 Q75 F76	V26-F28 PolarHBondContact O-N 3.3Å; F28-C38 HydrophobicContact CE1-CB 3.52Å; F28-C38 WeakPolarHBondContact CE1-O 3.41Å; F28-C38 HydrophobicContact CE2-CB 4.42Å; F28-C38 HydrophobicContact CZ-CB 3.22Å; F28-Q75 HydrophobicContact CD2-CB 4.4Å; F28-Q75 HydrophobicContact CE2-CB 4.14Å; F28-Q75 VanDerWaalsContact CE2-OE1 3.3Å; F28-F76 AromaticContact CD1-CE1 3.97Å; F28-F76 HydrophobicContact CD1-CE1 3.97Å; F28-F76 HydrophobicContact CD1-CZ 4.25Å; F28-F76 AromaticContact CD2-CD1 3.73Å; F28-F76 HydrophobicContact CD2-CD1 3.73Å; F28-F76 AromaticContact CD2-CE1 3.32Å; F28-F76 HydrophobicContact CD2-CE1 3.32Å; F28-F76 HydrophobicContact CD2-CZ 4.03Å; F28-F76 HydrophobicContact CE1-CE1 4.01Å; F28-F76 AromaticContact CE1-CZ 3.86Å; F28-F76 HydrophobicContact CE1-CZ 3.86Å; F28-F76 AromaticContact CE2-CD1 3.85Å; F28-F76 HydrophobicContact CE2-CD1 3.85Å; F28-F76 AromaticContact CE2-CE1 3.38Å; F28-F76 HydrophobicContact CE2-CE1 3.38Å; F28-F76 HydrophobicContact CE2-CE2 4.28Å; F28-F76 HydrophobicContact CE2-CG 4.5Å; F28-F76 AromaticContact CE2-CZ 3.62Å; F28-F76 HydrophobicContact CE2-CZ 3.62Å; F28-F76 HydrophobicContact CG-CD1 4.39Å; F28-F76 AromaticContact CG-CE1 3.65Å; F28-F76 HydrophobicContact CG-CE1 3.65Å; F28-F76 HydrophobicContact CG-CZ 4.34Å; F28-F76 AromaticContact CZ-CE1 3.76Å; F28-F76 HydrophobicContact CZ-CE1 3.76Å; F28-F76 HydrophobicContact CZ-CE2 4.28Å; F28-F76 AromaticContact CZ-CZ 3.56Å; F28-F76 HydrophobicContact CZ-CZ 3.56Å
29	S	51.6	Low	62.4	Low	81 Å²	81	98.7 Å²	98.7	57%	0.566	53%	0.534	S	S	*	.			trans	-100	98.4	172.5	-175.1	0	0	0	0	107.5	R27 T31	R27-S29 PolarHBondContact O-N 3.45Å; S29-T31 PolarHBondContact O-N 3.13Å; S29-T31 PolarHBondContact OG-OG1 3.24Å
30	S	54.8	Low	65.5	Low	59 Å²	59	96.6 Å²	96.6	41%	0.413	52%	0.517	S	S	.	.			trans	-64.9	-1	-177.1	55.7	0	0	0	0	115.4	G32 C38	S30-G32 PolarHBondContact O-N 3.04Å; S30-C38 WeakPolarHBondContact CB-O 3.3Å
31	T	54.9	Low	68.6	Low	123 Å²	123	90 Å²	90	76%	0.755	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	10.2	-154.1	55.8	0	0	0	0	116.1	S29	S29-T31 PolarHBondContact O-N 3.13Å; S29-T31 PolarHBondContact OG-OG1 3.24Å
32	G	86.9	Confident	71.7	Confident	70 Å²	70	88.3 Å²	88.3	72%	0.722	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-20.1	-173.5	0	0	0	0	0	117.1	S30	S30-G32 PolarHBondContact O-N 3.04Å
33	F	96.7	Very high	74.7	Confident	40 Å²	40	88 Å²	88	18%	0.175	46%	0.461	C	S	.	.			trans	-79	134.8	-171.2	-63.8	-54.1	0	0	0	111.9	L36 E68 D71 A72	F33-L36 HydrophobicContact CB-CB 3.86Å; F33-L36 HydrophobicContact CB-CG 4.5Å; F33-L36 HydrophobicContact CD2-CB 4.33Å; F33-L36 HydrophobicContact CD2-CD1 4.45Å; F33-L36 HydrophobicContact CG-CB 4.21Å; F33-L36 HydrophobicContact CG-CD1 4.36Å; F33-E68 HydrophobicContact CD1-CB 3.62Å; F33-E68 HydrophobicContact CD1-CG 3.63Å; F33-E68 HydrophobicContact CE1-CB 4.01Å; F33-E68 HydrophobicContact CE1-CG 4.25Å; F33-E68 HydrophobicContact CG-CB 4.4Å; F33-D71 HydrophobicContact CE1-CB 4.12Å; F33-D71 HydrophobicContact CZ-CB 4.23Å; F33-A72 HydrophobicContact CE2-CB 3.87Å; F33-A72 HydrophobicContact CZ-CB 3.94Å
34	K	97.4	Very high	77.5	Confident	143 Å²	143	85.5 Å²	85.5	62%	0.622	45%	0.452	S	S	*	.	S	Bend	trans	-83.9	-38.5	177.7	-178.6	-179	176.8	-168	0	111.7	E68	K34-E68 WeakPolarHBondContact CB-OE1 3.36Å; K34-E68 VanDerWaalsContact N-CD 3.35Å; K34-E68 PolarHBondContact N-OE1 3.44Å; K34-E68 PolarHBondContact N-OE2 3.07Å; K34-E68 VanDerWaalsContact N-OE2 3.14Å
35	Y	98.2	Very high	80.4	Confident	43 Å²	43	81.7 Å²	81.7	17%	0.169	44%	0.442	C	S	.	.	S	Bend	trans	-110.8	2.8	-171.5	-60.1	-62.3	0	0	0	113.4	N53 R54 P64 L65 E68	Y35-N53 CarbonylContact O-C 3.5Å; Y35-N53 WeakPolarHBondContact O-CA 3.26Å; Y35-N53 PolarHBondContact O-N 3.26Å; Y35-R54 HydrophobicContact CD1-CB 3.99Å; Y35-R54 HydrophobicContact CD1-CG 3.95Å; Y35-R54 HydrophobicContact CE1-CG 4.22Å; Y35-P64 HydrophobicContact CD2-CB 4.17Å; Y35-P64 HydrophobicContact CE2-CB 3.73Å; Y35-L65 HydrophobicContact CD2-CB 4.09Å; Y35-L65 HydrophobicContact CG-CB 4.15Å; Y35-E68 WeakPolarHBondContact CA-OE2 3.42Å; Y35-E68 PolarHBondContact N-OE2 3.38Å
36	L	98.3	Very high	83.3	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.037	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.3	177.2	-54	179.6	0	0	0	111.6	F33 I50 Q51 L52 E68 L69 A72	F33-L36 HydrophobicContact CB-CB 3.86Å; F33-L36 HydrophobicContact CB-CG 4.5Å; F33-L36 HydrophobicContact CD2-CB 4.33Å; F33-L36 HydrophobicContact CD2-CD1 4.45Å; F33-L36 HydrophobicContact CG-CB 4.21Å; F33-L36 HydrophobicContact CG-CD1 4.36Å; L36-I50 HydrophobicContact CD1-CG2 4.1Å; L36-I50 HydrophobicContact CD2-CG2 4.11Å; L36-Q51 WeakPolarHBondContact CA-O 3.43Å; L36-L52 HydrophobicContact CD2-CD2 3.43Å; L36-L52 VanDerWaalsContact CD2-CD2 3.43Å; L36-E68 HydrophobicContact CD1-CB 3.7Å; L36-E68 WeakPolarHBondContact CD1-O 3.39Å; L36-E68 HydrophobicContact CG-CB 4.02Å; L36-L69 HydrophobicContact CD1-CB 4.39Å; L36-A72 HydrophobicContact CD1-CB 3.86Å
37	I	98	Very high	86	Confident	75 Å²	75	70.7 Å²	70.7	39%	0.385	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.6	160.2	-61.3	165.3	0	0	0	106	Q51 N53	I37-Q51 HydrophobicContact CB-CB 4.32Å; I37-Q51 PolarHBondContact N-O 3.41Å; I37-Q51 PolarHBondContact O-N 2.79Å; I37-N53 HydrophobicContact CD1-CB 3.92Å; I37-N53 HydrophobicContact CG1-CB 3.81Å
38	C	98.3	Very high	88.5	Confident	4 Å²	4	60 Å²	60	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.8	-179.8	-60.6	0	0	0	0	110.7	F28 S30 L49 F76	F28-C38 HydrophobicContact CE1-CB 3.52Å; F28-C38 WeakPolarHBondContact CE1-O 3.41Å; F28-C38 HydrophobicContact CE2-CB 4.42Å; F28-C38 HydrophobicContact CZ-CB 3.22Å; S30-C38 WeakPolarHBondContact CB-O 3.3Å; C38-L49 VanDerWaalsContact CA-O 3.24Å; C38-L49 WeakPolarHBondContact CA-O 3.39Å; C38-F76 HydrophobicContact CB-CE2 4.38Å; C38-F76 HydrophobicContact CB-CZ 4.24Å
39	E	97.9	Very high	90.9	Very high	98 Å²	98	58.7 Å²	58.7	46%	0.458	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	155.9	177.9	47.5	166.8	-173.4	0	0	112.4	V41 L49	E39-V41 HydrophobicContact CB-CG1 4.25Å; E39-V41 HydrophobicContact CG-CG1 3.53Å; E39-V41 WeakPolarHBondContact OE1-CG1 3.19Å; E39-L49 HydrophobicContact CG-CB 4.28Å; E39-L49 HydrophobicContact CG-CD2 4.3Å; E39-L49 PolarHBondContact N-O 3.45Å; E39-L49 PolarHBondContact O-N 2.99Å
40	A	98.4	Very high	93.2	Very high	30 Å²	30	54.8 Å²	54.8	25%	0.248	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.1	168.8	0	0	0	0	0	109.6	K45 V47 I82	A40-K45 HydrophobicContact CB-CB 4.13Å; A40-V47 CarbonylContact C-O 3.58Å; A40-V47 WeakPolarHBondContact CA-O 3.39Å; A40-I82 HydrophobicContact CB-CD1 4.02Å
41	V	98.5	Very high	95.3	Very high	20 Å²	20	54.8 Å²	54.8	12%	0.121	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	177.5	-172	-57.7	0	0	0	0	112.3	E39 K45 T46 V47 L49 V223	E39-V41 HydrophobicContact CB-CG1 4.25Å; E39-V41 HydrophobicContact CG-CG1 3.53Å; E39-V41 WeakPolarHBondContact OE1-CG1 3.19Å; V41-K45 CarbonylContact O-C 3.43Å; V41-K45 WeakPolarHBondContact O-CA 3.48Å; V41-T46 PolarHBondContact O-N 2.82Å; V41-V47 HydrophobicContact CG2-CB 3.93Å; V41-V47 HydrophobicContact CG2-CG1 3.94Å; V41-V47 PolarHBondContact N-O 3.06Å; V41-V47 PolarHBondContact O-N 3.18Å; V41-L49 HydrophobicContact CG1-CB 4.02Å; V41-L49 HydrophobicContact CG1-CD2 4.11Å; V41-L49 HydrophobicContact CG2-CB 3.75Å; V41-V223 HydrophobicContact CB-CG1 4.43Å; V41-V223 HydrophobicContact CG2-CB 4.43Å; V41-V223 HydrophobicContact CG2-CG1 3.77Å; V41-V223 HydrophobicContact CG2-CG2 3.72Å
42	G	96.8	Very high	97.4	Very high	29 Å²	29	49 Å²	49	30%	0.299	26%	0.264	S	S	.	.	S	Bend	trans	91.2	165.2	-168	0	0	0	0	0	111.7	T44 K45 E227	G42-T44 PolarHBondContact O-N 2.95Å; G42-K45 PolarHBondContact O-N 2.81Å; G42-K45 VanDerWaalsContact O-N 3.12Å; G42-E227 WeakPolarHBondContact CA-OE1 3.14Å
43	E	95.9	Very high	97.9	Very high	172 Å²	172	48.4 Å²	48.4	80%	0.804	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-39	178.1	-61.4	176.7	175.3	0	0	111.1	E227	E43-E227 WeakPolarHBondContact CA-OE1 3.47Å; E43-E227 WeakPolarHBondContact CB-OE1 3.41Å; E43-E227 PolarHBondContact N-OE1 3.34Å
44	T	95.2	Very high	97.9	Very high	74 Å²	74	47.8 Å²	47.8	45%	0.454	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	4.8	179.6	51.3	0	0	0	0	114.2	G42 T46 E227	G42-T44 PolarHBondContact O-N 2.95Å; T44-T46 PolarHBondContact O-N 2.8Å; T44-T46 WeakPolarHBondContact OG1-CG2 3.38Å; T44-T46 PolarHBondContact OG1-OG1 3.47Å; T44-E227 PolarHBondContact N-OE1 3.4Å
45	K	97.9	Very high	97.8	Very high	133 Å²	133	44.5 Å²	44.5	58%	0.578	24%	0.235	S	C	*	.	S	Bend	trans	53.6	35.2	-175.5	-61.3	-170.9	175	-174	0	114	A40 V41 G42 N81	A40-K45 HydrophobicContact CB-CB 4.13Å; V41-K45 CarbonylContact O-C 3.43Å; V41-K45 WeakPolarHBondContact O-CA 3.48Å; G42-K45 PolarHBondContact O-N 2.81Å; G42-K45 VanDerWaalsContact O-N 3.12Å; K45-N81 PolarHBondContact O-ND2 2.72Å
46	T	97.9	Very high	97.7	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.123	26%	0.264	C	S	.	.			trans	-99.6	5.6	-176.3	51.2	0	0	0	0	113.4	V41 T44 N81 I82 G83 S230	V41-T46 PolarHBondContact O-N 2.82Å; T44-T46 PolarHBondContact O-N 2.8Å; T44-T46 WeakPolarHBondContact OG1-CG2 3.38Å; T44-T46 PolarHBondContact OG1-OG1 3.47Å; T46-N81 VanDerWaalsContact CA-O 3.29Å; T46-N81 WeakPolarHBondContact CA-O 3.41Å; T46-N81 WeakPolarHBondContact CB-O 3.42Å; T46-N81 WeakPolarHBondContact CG2-O 3.47Å; T46-I82 WeakPolarHBondContact O-CA 3.2Å; T46-G83 PolarHBondContact O-N 2.94Å; T46-S230 WeakPolarHBondContact CB-OG 3.27Å; T46-S230 PolarHBondContact OG1-OG 3.48Å
47	V	98.8	Very high	97.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.9	179	178.8	0	0	0	0	109.3	A40 V41 A84 V86 A226 E227	A40-V47 CarbonylContact C-O 3.58Å; A40-V47 WeakPolarHBondContact CA-O 3.39Å; V41-V47 HydrophobicContact CG2-CB 3.93Å; V41-V47 HydrophobicContact CG2-CG1 3.94Å; V41-V47 PolarHBondContact N-O 3.06Å; V41-V47 PolarHBondContact O-N 3.18Å; V47-A84 WeakPolarHBondContact CA-O 3.3Å; V47-V86 HydrophobicContact CG1-CB 4.49Å; V47-V86 HydrophobicContact CG1-CG2 3.79Å; V47-A226 HydrophobicContact CB-CB 4.3Å; V47-A226 HydrophobicContact CG1-CB 3.6Å; V47-A226 HydrophobicContact CG2-CB 3.67Å; V47-E227 HydrophobicContact CG2-CB 3.93Å
48	G	98.7	Very high	97.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	111.5	172	0	0	0	0	0	109.7	F76 A84 I85 V86	G48-F76 VanDerWaalsContact CA-CE2 3.48Å; G48-F76 VanDerWaalsContact CA-CZ 3.47Å; G48-A84 PolarHBondContact N-O 3.4Å; G48-I85 CarbonylContact O-C 3.51Å; G48-I85 VanDerWaalsContact O-CA 3.25Å; G48-I85 WeakPolarHBondContact O-CA 3.42Å; G48-I85 WeakPolarHBondContact O-CG2 3.46Å; G48-V86 PolarHBondContact O-N 2.68Å
49	L	98.8	Very high	97.7	Very high	11 Å²	11	55.6 Å²	55.6	6%	0.058	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.5	173.5	-180	64.6	0	0	0	109.1	C38 E39 V41 V86 T88 V219	C38-L49 VanDerWaalsContact CA-O 3.24Å; C38-L49 WeakPolarHBondContact CA-O 3.39Å; E39-L49 HydrophobicContact CG-CB 4.28Å; E39-L49 HydrophobicContact CG-CD2 4.3Å; E39-L49 PolarHBondContact N-O 3.45Å; E39-L49 PolarHBondContact O-N 2.99Å; V41-L49 HydrophobicContact CG1-CB 4.02Å; V41-L49 HydrophobicContact CG1-CD2 4.11Å; V41-L49 HydrophobicContact CG2-CB 3.75Å; L49-V86 WeakPolarHBondContact CA-O 3.32Å; L49-V86 HydrophobicContact CD1-CB 3.88Å; L49-V86 HydrophobicContact CD1-CG1 3.8Å; L49-T88 HydrophobicContact CD1-CG2 3.96Å; L49-V219 HydrophobicContact CD1-CG1 4.25Å
50	I	98.7	Very high	97.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	111	171.2	-55.5	174.2	0	0	0	107.5	L36 L69 A72 V73 F76 I85 V86 I87 T88	L36-I50 HydrophobicContact CD1-CG2 4.1Å; L36-I50 HydrophobicContact CD2-CG2 4.11Å; I50-L69 HydrophobicContact CD1-CD1 4.2Å; I50-L69 HydrophobicContact CG2-CD1 3.75Å; I50-A72 HydrophobicContact CD1-CB 3.79Å; I50-A72 HydrophobicContact CG1-CB 4.19Å; I50-A72 HydrophobicContact CG2-CB 4.5Å; I50-V73 HydrophobicContact CD1-CG2 3.7Å; I50-F76 HydrophobicContact CD1-CD2 3.98Å; I50-F76 HydrophobicContact CD1-CE2 4.25Å; I50-F76 HydrophobicContact CG1-CD2 3.79Å; I50-F76 HydrophobicContact CG1-CE2 3.55Å; I50-I85 HydrophobicContact CD1-CG2 3.94Å; I50-I85 HydrophobicContact CG1-CG2 4.28Å; I50-V86 PolarHBondContact N-O 3.28Å; I50-I87 HydrophobicContact CB-CG1 4.36Å; I50-I87 HydrophobicContact CD1-CG1 4.42Å; I50-I87 CarbonylContact O-C 3.6Å; I50-I87 WeakPolarHBondContact O-CA 3.23Å; I50-T88 PolarHBondContact O-N 2.76Å
51	Q	98.7	Very high	97.7	Very high	58 Å²	58	50.5 Å²	50.5	27%	0.271	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.7	173.1	177.6	175.8	-18.9	0	0	110	L36 I37 N53 T88	L36-Q51 WeakPolarHBondContact CA-O 3.43Å; I37-Q51 HydrophobicContact CB-CB 4.32Å; I37-Q51 PolarHBondContact N-O 3.41Å; I37-Q51 PolarHBondContact O-N 2.79Å; Q51-N53 PolarHBondContact O-N 3.12Å; Q51-T88 CarbonylContact C-O 3.58Å; Q51-T88 WeakPolarHBondContact CA-O 3.47Å; Q51-T88 HydrophobicContact CB-CG2 3.87Å; Q51-T88 HydrophobicContact CG-CG2 4.03Å
52	L	98.7	Very high	97.6	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	123.3	168.2	-55.5	-172.6	0	0	0	109.1	L36 N59 L61 L65 L69 T88 F94 L145	L36-L52 HydrophobicContact CD2-CD2 3.43Å; L36-L52 VanDerWaalsContact CD2-CD2 3.43Å; L52-N59 HydrophobicContact CB-CB 4.02Å; L52-N59 WeakPolarHBondContact CB-ND2 3.43Å; L52-N59 HydrophobicContact CD1-CB 4.32Å; L52-N59 PolarHBondContact O-ND2 3.21Å; L52-N59 PolarHBondContact O-OD1 3.11Å; L52-L61 HydrophobicContact CD1-CD2 4.08Å; L52-L65 HydrophobicContact CD2-CD2 4Å; L52-L69 HydrophobicContact CD2-CD1 4.46Å; L52-T88 PolarHBondContact N-O 3.36Å; L52-F94 WeakPolarHBondContact CD1-O 3.39Å; L52-L145 HydrophobicContact CD1-CD2 4.05Å
53	N	98.1	Very high	97.5	Very high	59 Å²	59	49.4 Å²	49.4	32%	0.316	25%	0.247	S	C	.	.			trans	-129.4	61.6	-172.6	-172.5	39.3	0	0	0	111.5	Y35 I37 Q51	Y35-N53 CarbonylContact O-C 3.5Å; Y35-N53 WeakPolarHBondContact O-CA 3.26Å; Y35-N53 PolarHBondContact O-N 3.26Å; I37-N53 HydrophobicContact CD1-CB 3.92Å; I37-N53 HydrophobicContact CG1-CB 3.81Å; Q51-N53 PolarHBondContact O-N 3.12Å
54	R	97.7	Very high	97.5	Very high	27 Å²	27	44.6 Å²	44.6	10%	0.102	23%	0.231	C	C	.	.			trans	-125	64	168	-172.5	-176.3	172.2	-155.3	6.4	109.4	Y35 K56 E57 F58 N59 A60 L65 D99	Y35-R54 HydrophobicContact CD1-CB 3.99Å; Y35-R54 HydrophobicContact CD1-CG 3.95Å; Y35-R54 HydrophobicContact CE1-CG 4.22Å; R54-K56 PolarHBondContact O-N 2.94Å; R54-E57 HydrophobicContact CG-CB 4.44Å; R54-E57 WeakPolarHBondContact CG-OE2 3.13Å; R54-E57 IonicContact CZ-OE2 3.19Å; R54-E57 IonicContact NE-OE2 2.74Å; R54-E57 PolarHBondContact NE-OE2 2.83Å; R54-E57 IonicContact NH2-OE2 2.92Å; R54-E57 PolarHBondContact O-N 3.02Å; R54-F58 PolarHBondContact O-N 3.38Å; R54-N59 VanDerWaalsContact C-OD1 3.23Å; R54-N59 WeakPolarHBondContact CA-OD1 3.39Å; R54-N59 PolarHBondContact N-OD1 3.08Å; R54-N59 WeakPolarHBondContact O-CA 3.07Å; R54-N59 PolarHBondContact O-N 3.04Å; R54-N59 PolarHBondContact O-OD1 3.16Å; R54-A60 PolarHBondContact NH1-O 3.1Å; R54-L65 HydrophobicContact CB-CD1 4.04Å; R54-D99 IonicContact CZ-OD2 2.72Å; R54-D99 IonicContact NH1-OD2 2.65Å; R54-D99 PolarHBondContact NH1-OD2 2.83Å; R54-D99 IonicContact NH2-OD2 2.7Å; R54-D99 PolarHBondContact NH2-OD2 2.84Å
55	P	95.5	Very high	97.6	Very high	74 Å²	74	41.1 Å²	41.1	48%	0.481	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-69	-28.9	-164.7	26.3	-36.1	0	0	0	114.4	E57 F58	P55-E57 VanDerWaalsContact C-N 3.28Å; P55-E57 PolarHBondContact O-N 2.81Å; P55-F58 PolarHBondContact O-N 3.45Å; P55-F58 VanDerWaalsContact O-N 3.15Å
56	K	96.3	Very high	97.6	Very high	181 Å²	181	35 Å²	35	79%	0.787	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-62.8	-36.8	-179.3	-71.9	-175.2	179.6	-179	0	112.1	R54	R54-K56 PolarHBondContact O-N 2.94Å
57	E	97.5	Very high	97.5	Very high	83 Å²	83	35.1 Å²	35.1	39%	0.388	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-102	24	177.3	-57.1	79.4	-159.4	0	0	111.9	R54 P55 N59 A60	R54-E57 HydrophobicContact CG-CB 4.44Å; R54-E57 WeakPolarHBondContact CG-OE2 3.13Å; R54-E57 IonicContact CZ-OE2 3.19Å; R54-E57 IonicContact NE-OE2 2.74Å; R54-E57 PolarHBondContact NE-OE2 2.83Å; R54-E57 IonicContact NH2-OE2 2.92Å; R54-E57 PolarHBondContact O-N 3.02Å; P55-E57 VanDerWaalsContact C-N 3.28Å; P55-E57 PolarHBondContact O-N 2.81Å; E57-N59 PolarHBondContact O-N 3.46Å; E57-N59 VanDerWaalsContact O-N 3.15Å; E57-A60 HydrophobicContact CB-CB 4Å; E57-A60 VanDerWaalsContact O-CB 3.27Å; E57-A60 WeakPolarHBondContact O-CB 3.13Å; E57-A60 PolarHBondContact O-N 3.34Å
58	F	97.8	Very high	97.5	Very high	98 Å²	98	36.6 Å²	36.6	43%	0.43	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	40.7	179.4	-60.3	-85.2	0	0	0	113.4	R54 P55 A60 K92 A93 A96	R54-F58 PolarHBondContact O-N 3.38Å; P55-F58 PolarHBondContact O-N 3.45Å; P55-F58 VanDerWaalsContact O-N 3.15Å; F58-A60 VanDerWaalsContact C-N 3.28Å; F58-A60 PolarHBondContact O-N 3.22Å; F58-K92 HydrophobicContact CE1-CD 4.46Å; F58-A93 HydrophobicContact CB-CB 3.87Å; F58-A93 HydrophobicContact CD1-CB 4.28Å; F58-A93 WeakPolarHBondContact O-CB 3.5Å; F58-A96 HydrophobicContact CB-CB 3.78Å; F58-A96 PolarHBondContact O-N 3.2Å
59	N	98.4	Very high	97.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	36.9	-176	-64.2	-21.1	0	0	0	113.5	L52 R54 E57 L61 G89 S90 A93 F94 S95	L52-N59 HydrophobicContact CB-CB 4.02Å; L52-N59 WeakPolarHBondContact CB-ND2 3.43Å; L52-N59 HydrophobicContact CD1-CB 4.32Å; L52-N59 PolarHBondContact O-ND2 3.21Å; L52-N59 PolarHBondContact O-OD1 3.11Å; R54-N59 VanDerWaalsContact C-OD1 3.23Å; R54-N59 WeakPolarHBondContact CA-OD1 3.39Å; R54-N59 PolarHBondContact N-OD1 3.08Å; R54-N59 WeakPolarHBondContact O-CA 3.07Å; R54-N59 PolarHBondContact O-N 3.04Å; R54-N59 PolarHBondContact O-OD1 3.16Å; E57-N59 PolarHBondContact O-N 3.46Å; E57-N59 VanDerWaalsContact O-N 3.15Å; N59-L61 PolarHBondContact O-N 3.03Å; N59-G89 WeakPolarHBondContact ND2-CA 3.33Å; N59-S90 PolarHBondContact ND2-N 3.2Å; N59-A93 PolarHBondContact ND2-O 2.71Å; N59-A93 VanDerWaalsContact ND2-O 3.14Å; N59-F94 WeakPolarHBondContact CB-O 3.27Å; N59-F94 PolarHBondContact ND2-O 3.13Å; N59-S95 WeakPolarHBondContact O-CB 3.45Å; N59-S95 PolarHBondContact O-OG 3.06Å
60	A	98.1	Very high	97.4	Very high	12 Å²	12	36.6 Å²	36.6	10%	0.099	20%	0.196	C	C	.	.			trans	-56.5	132.2	170.9	0	0	0	0	0	110.9	R54 E57 F58 C62 G97 D99	R54-A60 PolarHBondContact NH1-O 3.1Å; E57-A60 HydrophobicContact CB-CB 4Å; E57-A60 VanDerWaalsContact O-CB 3.27Å; E57-A60 WeakPolarHBondContact O-CB 3.13Å; E57-A60 PolarHBondContact O-N 3.34Å; F58-A60 VanDerWaalsContact C-N 3.28Å; F58-A60 PolarHBondContact O-N 3.22Å; A60-C62 PolarHBondContact O-N 2.67Å; A60-G97 CarbonylContact C-O 3.46Å; A60-G97 WeakPolarHBondContact CA-O 3.36Å; A60-D99 HydrophobicContact CB-CB 4.41Å
61	L	97.8	Very high	97.3	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.042	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-87.3	92	-168.9	-58	170.8	0	0	0	109.8	L52 N59 L65 I66 S95 G97 D99 W120 G141 L145	L52-L61 HydrophobicContact CD1-CD2 4.08Å; N59-L61 PolarHBondContact O-N 3.03Å; L61-L65 HydrophobicContact CD2-CD1 4.47Å; L61-L65 HydrophobicContact CD2-CD2 3.51Å; L61-I66 HydrophobicContact CB-CD1 3.95Å; L61-I66 HydrophobicContact CB-CG1 4.19Å; L61-I66 HydrophobicContact CD1-CD1 4.36Å; L61-I66 HydrophobicContact CD2-CD1 3.94Å; L61-I66 HydrophobicContact CG-CD1 4.27Å; L61-S95 WeakPolarHBondContact CD1-OG 3.25Å; L61-S95 VanDerWaalsContact CG-OG 3.26Å; L61-S95 WeakPolarHBondContact CG-OG 3.5Å; L61-G97 PolarHBondContact N-O 2.87Å; L61-D99 PolarHBondContact O-N 2.82Å; L61-D99 VanDerWaalsContact O-N 3.09Å; L61-W120 HydrophobicContact CB-CH2 3.99Å; L61-W120 HydrophobicContact CB-CZ2 4.2Å; L61-W120 HydrophobicContact CD1-CH2 3.31Å; L61-W120 HydrophobicContact CD1-CZ2 4.3Å; L61-W120 HydrophobicContact CD1-CZ3 3.68Å; L61-W120 HydrophobicContact CG-CH2 4.25Å; L61-G141 VanDerWaalsContact CD1-C 3.49Å; L61-L145 HydrophobicContact CD2-CD2 4.44Å
62	C	96.3	Very high	97.2	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.041	20%	0.203	C	C	.	.			trans	-87.4	160.3	171.6	62.1	0	0	0	0	111.1	A60 L65 I66 D99 E102	A60-C62 PolarHBondContact O-N 2.67Å; C62-L65 PolarHBondContact O-N 2.52Å; C62-L65 VanDerWaalsContact O-N 3.09Å; C62-L65 VanDerWaalsContact SG-CB 3.56Å; C62-I66 PolarHBondContact O-N 2.77Å; C62-D99 HydrophobicContact CB-CB 3.97Å; C62-E102 WeakPolarHBondContact CA-OE2 3.38Å; C62-E102 WeakPolarHBondContact CB-OE2 3.42Å
63	G	94.8	Very high	97.2	Very high	21 Å²	21	37.7 Å²	37.7	22%	0.216	20%	0.204	C	C	.	.	H	α-helix	trans	-50.7	-48.8	178.8	0	0	0	0	0	113.6	L65 I66 G67 E102	G63-L65 PolarHBondContact O-N 3.08Å; G63-I66 PolarHBondContact O-N 3.19Å; G63-G67 PolarHBondContact O-N 2.99Å; G63-E102 PolarHBondContact N-OE1 2.92Å; G63-E102 PolarHBondContact N-OE2 3.35Å
64	P	96	Very high	97.2	Very high	71 Å²	71	40.4 Å²	40.4	46%	0.461	21%	0.213	S	C	.	.	H	α-helix	trans	-58.2	-43.5	175	-29.5	37.9	0	0	0	114.3	Y35 G67 E68	Y35-P64 HydrophobicContact CD2-CB 4.17Å; Y35-P64 HydrophobicContact CE2-CB 3.73Å; P64-G67 PolarHBondContact O-N 3.16Å; P64-E68 WeakPolarHBondContact O-CG 3.34Å; P64-E68 PolarHBondContact O-N 2.78Å
65	L	97.7	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-43.9	179.3	-178.4	164.4	0	0	0	111	Y35 L52 R54 L61 C62 G63 G67 E68 L69	Y35-L65 HydrophobicContact CD2-CB 4.09Å; Y35-L65 HydrophobicContact CG-CB 4.15Å; L52-L65 HydrophobicContact CD2-CD2 4Å; R54-L65 HydrophobicContact CB-CD1 4.04Å; L61-L65 HydrophobicContact CD2-CD1 4.47Å; L61-L65 HydrophobicContact CD2-CD2 3.51Å; C62-L65 PolarHBondContact O-N 2.52Å; C62-L65 VanDerWaalsContact O-N 3.09Å; C62-L65 VanDerWaalsContact SG-CB 3.56Å; G63-L65 PolarHBondContact O-N 3.08Å; L65-G67 VanDerWaalsContact C-N 3.31Å; L65-G67 PolarHBondContact O-N 2.88Å; L65-E68 PolarHBondContact O-N 3.21Å; L65-L69 WeakPolarHBondContact O-CB 3.2Å; L65-L69 PolarHBondContact O-N 2.85Å
66	I	97.3	Very high	97.3	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-37.5	176.6	-62.8	-64.1	0	0	0	111.3	L61 C62 G63 L69 S70 M119 W120	L61-I66 HydrophobicContact CB-CD1 3.95Å; L61-I66 HydrophobicContact CB-CG1 4.19Å; L61-I66 HydrophobicContact CD1-CD1 4.36Å; L61-I66 HydrophobicContact CD2-CD1 3.94Å; L61-I66 HydrophobicContact CG-CD1 4.27Å; C62-I66 PolarHBondContact O-N 2.77Å; G63-I66 PolarHBondContact O-N 3.19Å; I66-L69 HydrophobicContact CD1-CD2 4.44Å; I66-L69 PolarHBondContact O-N 2.81Å; I66-S70 WeakPolarHBondContact O-CB 3.09Å; I66-S70 PolarHBondContact O-N 2.83Å; I66-M119 HydrophobicContact CB-CG 4.43Å; I66-M119 HydrophobicContact CB-SD 3.79Å; I66-M119 HydrophobicContact CG2-CB 4.12Å; I66-M119 HydrophobicContact CG2-CG 3.48Å; I66-M119 VanDerWaalsContact CG2-CG 3.48Å; I66-M119 HydrophobicContact CG2-SD 3.49Å; I66-M119 WeakPolarHBondContact CG2-SD 3.42Å; I66-W120 HydrophobicContact CD1-CD2 3.99Å; I66-W120 HydrophobicContact CD1-CE3 4.18Å; I66-W120 HydrophobicContact CD1-CH2 4Å; I66-W120 HydrophobicContact CD1-CZ2 3.76Å; I66-W120 HydrophobicContact CD1-CZ3 4.19Å; I66-W120 HydrophobicContact CG1-CD2 4.43Å; I66-W120 HydrophobicContact CG1-CZ2 3.87Å; I66-W120 HydrophobicContact CG2-CD2 4.35Å; I66-W120 HydrophobicContact CG2-CG 4.04Å
67	G	96.4	Very high	97.3	Very high	23 Å²	23	33 Å²	33	24%	0.237	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-51.3	171.8	0	0	0	0	0	112	G63 P64 L65 L69 S70 D71	G63-G67 PolarHBondContact O-N 2.99Å; P64-G67 PolarHBondContact O-N 3.16Å; L65-G67 VanDerWaalsContact C-N 3.31Å; L65-G67 PolarHBondContact O-N 2.88Å; G67-L69 VanDerWaalsContact C-N 3.27Å; G67-L69 PolarHBondContact O-N 3.24Å; G67-S70 WeakPolarHBondContact O-CB 3.34Å; G67-S70 PolarHBondContact O-N 3.33Å; G67-D71 PolarHBondContact O-N 3.41Å
68	E	97.5	Very high	97.2	Very high	31 Å²	31	32.6 Å²	32.6	15%	0.145	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-38.4	175.7	-68.6	-173.1	176.3	0	0	112	F33 K34 Y35 L36 P64 L65 D71 A72	F33-E68 HydrophobicContact CD1-CB 3.62Å; F33-E68 HydrophobicContact CD1-CG 3.63Å; F33-E68 HydrophobicContact CE1-CB 4.01Å; F33-E68 HydrophobicContact CE1-CG 4.25Å; F33-E68 HydrophobicContact CG-CB 4.4Å; K34-E68 WeakPolarHBondContact CB-OE1 3.36Å; K34-E68 VanDerWaalsContact N-CD 3.35Å; K34-E68 PolarHBondContact N-OE1 3.44Å; K34-E68 PolarHBondContact N-OE2 3.07Å; K34-E68 VanDerWaalsContact N-OE2 3.14Å; Y35-E68 WeakPolarHBondContact CA-OE2 3.42Å; Y35-E68 PolarHBondContact N-OE2 3.38Å; L36-E68 HydrophobicContact CD1-CB 3.7Å; L36-E68 WeakPolarHBondContact CD1-O 3.39Å; L36-E68 HydrophobicContact CG-CB 4.02Å; P64-E68 WeakPolarHBondContact O-CG 3.34Å; P64-E68 PolarHBondContact O-N 2.78Å; L65-E68 PolarHBondContact O-N 3.21Å; E68-D71 PolarHBondContact O-N 3.32Å; E68-A72 WeakPolarHBondContact O-CB 3.4Å; E68-A72 PolarHBondContact O-N 3.3Å
69	L	98.1	Very high	97.2	Very high	4 Å²	4	29 Å²	29	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-43.6	178.3	177.9	61.1	0	0	0	111.3	L36 I50 L52 L65 I66 G67 D71 A72 V73 I87 V123 L145	L36-L69 HydrophobicContact CD1-CB 4.39Å; I50-L69 HydrophobicContact CD1-CD1 4.2Å; I50-L69 HydrophobicContact CG2-CD1 3.75Å; L52-L69 HydrophobicContact CD2-CD1 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.2Å; L65-L69 PolarHBondContact O-N 2.85Å; I66-L69 HydrophobicContact CD1-CD2 4.44Å; I66-L69 PolarHBondContact O-N 2.81Å; G67-L69 VanDerWaalsContact C-N 3.27Å; G67-L69 PolarHBondContact O-N 3.24Å; L69-D71 VanDerWaalsContact C-N 3.3Å; L69-D71 PolarHBondContact O-N 2.89Å; L69-A72 PolarHBondContact O-N 3Å; L69-V73 HydrophobicContact CD1-CG2 4.36Å; L69-V73 WeakPolarHBondContact O-CG2 3.41Å; L69-V73 PolarHBondContact O-N 3.24Å; L69-I87 HydrophobicContact CD1-CD1 4.29Å; L69-V123 HydrophobicContact CD2-CG2 4.16Å; L69-V123 HydrophobicContact CG-CG2 4.21Å; L69-L145 HydrophobicContact CD2-CD1 3.75Å; L69-L145 HydrophobicContact CD2-CD2 3.82Å; L69-L145 HydrophobicContact CD2-CG 4.47Å
70	S	97	Very high	97	Very high	8 Å²	8	33.5 Å²	33.5	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-56.6	-46.2	174	-165.4	0	0	0	0	111.1	I66 G67 K74 A122	I66-S70 WeakPolarHBondContact O-CB 3.09Å; I66-S70 PolarHBondContact O-N 2.83Å; G67-S70 WeakPolarHBondContact O-CB 3.34Å; G67-S70 PolarHBondContact O-N 3.33Å; S70-K74 WeakPolarHBondContact O-CD 3.29Å; S70-K74 VanDerWaalsContact O-CG 3.27Å; S70-K74 WeakPolarHBondContact O-CG 3.41Å; S70-K74 PolarHBondContact O-N 2.64Å; S70-K74 WeakPolarHBondContact OG-CE 3.45Å; S70-K74 PolarHBondContact OG-NZ 3.14Å; S70-K74 VanDerWaalsContact OG-NZ 3.11Å; S70-A122 VanDerWaalsContact OG-CB 3.22Å; S70-A122 WeakPolarHBondContact OG-CB 3.11Å
71	D	96.9	Very high	96.9	Very high	79 Å²	79	36.9 Å²	36.9	42%	0.422	21%	0.212	S	C	.	.	H	α-helix	trans	-68.5	-42.6	-179.9	-71.3	-16.6	0	0	0	112.1	F33 G67 E68 L69 V73 K74 Q75	F33-D71 HydrophobicContact CE1-CB 4.12Å; F33-D71 HydrophobicContact CZ-CB 4.23Å; G67-D71 PolarHBondContact O-N 3.41Å; E68-D71 PolarHBondContact O-N 3.32Å; L69-D71 VanDerWaalsContact C-N 3.3Å; L69-D71 PolarHBondContact O-N 2.89Å; D71-V73 PolarHBondContact O-N 2.77Å; D71-K74 PolarHBondContact O-N 3.31Å; D71-Q75 WeakPolarHBondContact O-CB 3.47Å; D71-Q75 VanDerWaalsContact O-CG 3.25Å; D71-Q75 WeakPolarHBondContact O-CG 3.35Å; D71-Q75 PolarHBondContact O-N 2.9Å
72	A	97.9	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-43.1	176.5	0	0	0	0	0	111.9	F33 L36 I50 E68 L69 Q75 F76	F33-A72 HydrophobicContact CE2-CB 3.87Å; F33-A72 HydrophobicContact CZ-CB 3.94Å; L36-A72 HydrophobicContact CD1-CB 3.86Å; I50-A72 HydrophobicContact CD1-CB 3.79Å; I50-A72 HydrophobicContact CG1-CB 4.19Å; I50-A72 HydrophobicContact CG2-CB 4.5Å; E68-A72 WeakPolarHBondContact O-CB 3.4Å; E68-A72 PolarHBondContact O-N 3.3Å; L69-A72 PolarHBondContact O-N 3Å; A72-Q75 PolarHBondContact O-N 2.99Å; A72-F76 PolarHBondContact O-N 2.92Å
73	V	98.1	Very high	96.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-46	175.1	171.8	0	0	0	0	110.9	I50 L69 D71 Q75 F76 E77 I85 V123 A126	I50-V73 HydrophobicContact CD1-CG2 3.7Å; L69-V73 HydrophobicContact CD1-CG2 4.36Å; L69-V73 WeakPolarHBondContact O-CG2 3.41Å; L69-V73 PolarHBondContact O-N 3.24Å; D71-V73 PolarHBondContact O-N 2.77Å; V73-Q75 VanDerWaalsContact C-N 3.33Å; V73-Q75 PolarHBondContact O-N 3.15Å; V73-F76 PolarHBondContact O-N 2.9Å; V73-E77 HydrophobicContact CG1-CG 4.42Å; V73-E77 WeakPolarHBondContact O-CB 3.37Å; V73-E77 WeakPolarHBondContact O-CG 3.5Å; V73-E77 PolarHBondContact O-N 3.01Å; V73-I85 HydrophobicContact CG1-CD1 4.35Å; V73-V123 HydrophobicContact CG2-CG2 4.05Å; V73-A126 HydrophobicContact CG1-CB 3.88Å
74	K	97.1	Very high	97.1	Very high	117 Å²	117	35.7 Å²	35.7	51%	0.509	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-38.3	177.4	-71.7	165.7	-173.1	160.3	0	112.4	S70 D71 E77 A78	S70-K74 WeakPolarHBondContact O-CD 3.29Å; S70-K74 VanDerWaalsContact O-CG 3.27Å; S70-K74 WeakPolarHBondContact O-CG 3.41Å; S70-K74 PolarHBondContact O-N 2.64Å; S70-K74 WeakPolarHBondContact OG-CE 3.45Å; S70-K74 PolarHBondContact OG-NZ 3.14Å; S70-K74 VanDerWaalsContact OG-NZ 3.11Å; D71-K74 PolarHBondContact O-N 3.31Å; K74-E77 WeakPolarHBondContact O-CB 3.4Å; K74-E77 PolarHBondContact O-N 3.48Å; K74-A78 WeakPolarHBondContact O-CB 3.4Å; K74-A78 PolarHBondContact O-N 2.82Å
75	Q	97.3	Very high	97.3	Very high	79 Å²	79	32.3 Å²	32.3	37%	0.369	18%	0.181	S	C	.	.	H	α-helix	trans	-63.1	-47.7	175.3	-74.6	174.4	20.9	0	0	111	F28 D71 A72 V73 E77 A78 D79	F28-Q75 HydrophobicContact CD2-CB 4.4Å; F28-Q75 HydrophobicContact CE2-CB 4.14Å; F28-Q75 VanDerWaalsContact CE2-OE1 3.3Å; D71-Q75 WeakPolarHBondContact O-CB 3.47Å; D71-Q75 VanDerWaalsContact O-CG 3.25Å; D71-Q75 WeakPolarHBondContact O-CG 3.35Å; D71-Q75 PolarHBondContact O-N 2.9Å; A72-Q75 PolarHBondContact O-N 2.99Å; V73-Q75 VanDerWaalsContact C-N 3.33Å; V73-Q75 PolarHBondContact O-N 3.15Å; Q75-E77 VanDerWaalsContact C-N 3.34Å; Q75-E77 PolarHBondContact O-N 2.91Å; Q75-A78 PolarHBondContact O-N 3.49Å; Q75-D79 PolarHBondContact O-N 3.33Å
76	F	98	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.4	-28.3	176.4	-73.7	-36.8	0	0	0	113.5	F28 C38 G48 I50 A72 V73 I82 I85 K128	F28-F76 AromaticContact CD1-CE1 3.97Å; F28-F76 HydrophobicContact CD1-CE1 3.97Å; F28-F76 HydrophobicContact CD1-CZ 4.25Å; F28-F76 AromaticContact CD2-CD1 3.73Å; F28-F76 HydrophobicContact CD2-CD1 3.73Å; F28-F76 AromaticContact CD2-CE1 3.32Å; F28-F76 HydrophobicContact CD2-CE1 3.32Å; F28-F76 HydrophobicContact CD2-CZ 4.03Å; F28-F76 HydrophobicContact CE1-CE1 4.01Å; F28-F76 AromaticContact CE1-CZ 3.86Å; F28-F76 HydrophobicContact CE1-CZ 3.86Å; F28-F76 AromaticContact CE2-CD1 3.85Å; F28-F76 HydrophobicContact CE2-CD1 3.85Å; F28-F76 AromaticContact CE2-CE1 3.38Å; F28-F76 HydrophobicContact CE2-CE1 3.38Å; F28-F76 HydrophobicContact CE2-CE2 4.28Å; F28-F76 HydrophobicContact CE2-CG 4.5Å; F28-F76 AromaticContact CE2-CZ 3.62Å; F28-F76 HydrophobicContact CE2-CZ 3.62Å; F28-F76 HydrophobicContact CG-CD1 4.39Å; F28-F76 AromaticContact CG-CE1 3.65Å; F28-F76 HydrophobicContact CG-CE1 3.65Å; F28-F76 HydrophobicContact CG-CZ 4.34Å; F28-F76 AromaticContact CZ-CE1 3.76Å; F28-F76 HydrophobicContact CZ-CE1 3.76Å; F28-F76 HydrophobicContact CZ-CE2 4.28Å; F28-F76 AromaticContact CZ-CZ 3.56Å; F28-F76 HydrophobicContact CZ-CZ 3.56Å; C38-F76 HydrophobicContact CB-CE2 4.38Å; C38-F76 HydrophobicContact CB-CZ 4.24Å; G48-F76 VanDerWaalsContact CA-CE2 3.48Å; G48-F76 VanDerWaalsContact CA-CZ 3.47Å; I50-F76 HydrophobicContact CD1-CD2 3.98Å; I50-F76 HydrophobicContact CD1-CE2 4.25Å; I50-F76 HydrophobicContact CG1-CD2 3.79Å; I50-F76 HydrophobicContact CG1-CE2 3.55Å; A72-F76 PolarHBondContact O-N 2.92Å; V73-F76 PolarHBondContact O-N 2.9Å; F76-I82 HydrophobicContact CB-CG2 4.22Å; F76-I82 HydrophobicContact CD1-CG1 3.82Å; F76-I82 HydrophobicContact CE1-CG1 4.35Å; F76-I85 HydrophobicContact CB-CD1 3.69Å; F76-I85 HydrophobicContact CB-CG1 3.85Å; F76-I85 HydrophobicContact CD2-CG1 4.41Å; F76-I85 HydrophobicContact CD2-CG2 4.49Å; F76-I85 HydrophobicContact CG-CG1 4.5Å; F76-K128 PolarHBondContact O-NZ 2.82Å
77	E	96.5	Very high	97.4	Very high	46 Å²	46	32.1 Å²	32.1	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-44.2	168.5	-81.5	-75.1	117.2	0	0	111.4	V73 K74 Q75 A126 R127 K128	V73-E77 HydrophobicContact CG1-CG 4.42Å; V73-E77 WeakPolarHBondContact O-CB 3.37Å; V73-E77 WeakPolarHBondContact O-CG 3.5Å; V73-E77 PolarHBondContact O-N 3.01Å; K74-E77 WeakPolarHBondContact O-CB 3.4Å; K74-E77 PolarHBondContact O-N 3.48Å; Q75-E77 VanDerWaalsContact C-N 3.34Å; Q75-E77 PolarHBondContact O-N 2.91Å; E77-A126 HydrophobicContact CG-CB 4.49Å; E77-R127 VanDerWaalsContact CD-N 3.31Å; E77-R127 PolarHBondContact OE1-N 3.4Å; E77-R127 VanDerWaalsContact OE1-N 3.1Å; E77-R127 WeakPolarHBondContact OE2-CB 3.48Å; E77-R127 PolarHBondContact OE2-N 3.4Å; E77-R127 VanDerWaalsContact OE2-N 3.08Å; E77-K128 WeakPolarHBondContact O-CE 3.16Å; E77-K128 PolarHBondContact O-NZ 3Å; E77-K128 WeakPolarHBondContact OE1-CA 3.42Å; E77-K128 WeakPolarHBondContact OE1-CB 3.33Å; E77-K128 VanDerWaalsContact OE1-CG 3.26Å; E77-K128 WeakPolarHBondContact OE1-CG 3.34Å; E77-K128 PolarHBondContact OE1-N 3.5Å
78	A	96.5	Very high	97.5	Very high	75 Å²	75	31.2 Å²	31.2	62%	0.62	17%	0.17	S	C	*	.	H	α-helix	trans	-74.9	-25.2	-179.4	0	0	0	0	0	113.9	K74 Q75 N80	K74-A78 WeakPolarHBondContact O-CB 3.4Å; K74-A78 PolarHBondContact O-N 2.82Å; Q75-A78 PolarHBondContact O-N 3.49Å; A78-N80 PolarHBondContact O-N 3.41Å
79	D	96.8	Very high	97.6	Very high	24 Å²	24	30 Å²	30	13%	0.128	17%	0.166	C	C	.	.			trans	-71.2	117	180	-170.5	-21.7	0	0	0	111.4	Q75 N81 I82 K128	Q75-D79 PolarHBondContact O-N 3.33Å; D79-N81 VanDerWaalsContact C-N 3.25Å; D79-N81 PolarHBondContact O-N 3.01Å; D79-N81 WeakPolarHBondContact OD1-CB 3.37Å; D79-N81 PolarHBondContact OD1-N 3.27Å; D79-I82 HydrophobicContact CB-CB 4.28Å; D79-I82 HydrophobicContact CB-CG1 3.88Å; D79-I82 PolarHBondContact O-N 3.2Å; D79-K128 PolarHBondContact O-NZ 2.95Å
80	N	94.7	Very high	97.6	Very high	93 Å²	93	31.2 Å²	31.2	50%	0.497	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.3	-179.4	-78	-42.3	0	0	0	114.6	A78 I82 R234	A78-N80 PolarHBondContact O-N 3.41Å; N80-I82 VanDerWaalsContact C-N 3.35Å; N80-R234 PolarHBondContact OD1-NH1 3.15Å; N80-R234 PolarHBondContact OD1-NH2 2.86Å
81	N	95.9	Very high	97.5	Very high	84 Å²	84	34.7 Å²	34.7	45%	0.449	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-23	176.7	-163.7	53.7	0	0	0	112.2	K45 T46 D79	K45-N81 PolarHBondContact O-ND2 2.72Å; T46-N81 VanDerWaalsContact CA-O 3.29Å; T46-N81 WeakPolarHBondContact CA-O 3.41Å; T46-N81 WeakPolarHBondContact CB-O 3.42Å; T46-N81 WeakPolarHBondContact CG2-O 3.47Å; D79-N81 VanDerWaalsContact C-N 3.25Å; D79-N81 PolarHBondContact O-N 3.01Å; D79-N81 WeakPolarHBondContact OD1-CB 3.37Å; D79-N81 PolarHBondContact OD1-N 3.27Å
82	I	98	Very high	97.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.202	C	C	.	.			trans	-87.7	122.9	-178.2	-57.1	-54	0	0	0	110.5	A40 T46 F76 D79 N80 A84 I85 K128	A40-I82 HydrophobicContact CB-CD1 4.02Å; T46-I82 WeakPolarHBondContact O-CA 3.2Å; F76-I82 HydrophobicContact CB-CG2 4.22Å; F76-I82 HydrophobicContact CD1-CG1 3.82Å; F76-I82 HydrophobicContact CE1-CG1 4.35Å; D79-I82 HydrophobicContact CB-CB 4.28Å; D79-I82 HydrophobicContact CB-CG1 3.88Å; D79-I82 PolarHBondContact O-N 3.2Å; N80-I82 VanDerWaalsContact C-N 3.35Å; I82-A84 VanDerWaalsContact CG2-O 3.3Å; I82-A84 WeakPolarHBondContact CG2-O 3.25Å; I82-I85 HydrophobicContact CG2-CG1 4.41Å; I82-K128 WeakPolarHBondContact O-CD 3.26Å; I82-K128 WeakPolarHBondContact O-CE 3.5Å; I82-K128 PolarHBondContact O-NZ 3.41Å
83	G	97.3	Very high	97.6	Very high	9 Å²	9	38.3 Å²	38.3	9%	0.093	20%	0.202	C	C	.	.			trans	-104.1	-20.8	177.4	0	0	0	0	0	114.4	T46	T46-G83 PolarHBondContact O-N 2.94Å
84	A	98.6	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.6	177.9	0	0	0	0	0	110.7	V47 G48 I82 P129 A226 I229	V47-A84 WeakPolarHBondContact CA-O 3.3Å; G48-A84 PolarHBondContact N-O 3.4Å; I82-A84 VanDerWaalsContact CG2-O 3.3Å; I82-A84 WeakPolarHBondContact CG2-O 3.25Å; A84-P129 CarbonylContact C-O 3.54Å; A84-P129 WeakPolarHBondContact CA-O 3.26Å; A84-P129 HydrophobicContact CB-CB 4.47Å; A84-A226 HydrophobicContact CB-CB 3.86Å; A84-I229 HydrophobicContact CB-CB 4.33Å; A84-I229 HydrophobicContact CB-CG2 4.08Å
85	I	98.9	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.7	-178.4	-60.6	168.2	0	0	0	109.1	G48 I50 V73 F76 I82 I87 P129 V130 I131	G48-I85 CarbonylContact O-C 3.51Å; G48-I85 VanDerWaalsContact O-CA 3.25Å; G48-I85 WeakPolarHBondContact O-CA 3.42Å; G48-I85 WeakPolarHBondContact O-CG2 3.46Å; I50-I85 HydrophobicContact CD1-CG2 3.94Å; I50-I85 HydrophobicContact CG1-CG2 4.28Å; V73-I85 HydrophobicContact CG1-CD1 4.35Å; F76-I85 HydrophobicContact CB-CD1 3.69Å; F76-I85 HydrophobicContact CB-CG1 3.85Å; F76-I85 HydrophobicContact CD2-CG1 4.41Å; F76-I85 HydrophobicContact CD2-CG2 4.49Å; F76-I85 HydrophobicContact CG-CG1 4.5Å; I82-I85 HydrophobicContact CG2-CG1 4.41Å; I85-I87 HydrophobicContact CG2-CG1 4.14Å; I85-P129 PolarHBondContact N-O 2.86Å; I85-V130 HydrophobicContact CB-CG1 4.29Å; I85-V130 HydrophobicContact CB-CG2 4.28Å; I85-V130 HydrophobicContact CG2-CG1 4.21Å; I85-V130 CarbonylContact O-C 3.42Å; I85-V130 VanDerWaalsContact O-CA 3.32Å; I85-V130 WeakPolarHBondContact O-CA 3.46Å; I85-I131 PolarHBondContact O-N 3.08Å
86	V	98.9	Very high	97.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.2	168.2	178.6	0	0	0	0	107.9	V47 G48 L49 I50 I131 A133 A222 V223 A226	V47-V86 HydrophobicContact CG1-CB 4.49Å; V47-V86 HydrophobicContact CG1-CG2 3.79Å; G48-V86 PolarHBondContact O-N 2.68Å; L49-V86 WeakPolarHBondContact CA-O 3.32Å; L49-V86 HydrophobicContact CD1-CB 3.88Å; L49-V86 HydrophobicContact CD1-CG1 3.8Å; I50-V86 PolarHBondContact N-O 3.28Å; V86-I131 CarbonylContact C-O 3.41Å; V86-I131 WeakPolarHBondContact CA-O 3.39Å; V86-I131 HydrophobicContact CG2-CB 4.41Å; V86-A133 HydrophobicContact CG1-CB 3.93Å; V86-A222 HydrophobicContact CG1-CB 3.92Å; V86-A222 HydrophobicContact CG2-CB 4.31Å; V86-V223 HydrophobicContact CG2-CG2 4.3Å; V86-A226 HydrophobicContact CG2-CB 3.67Å
87	I	98.9	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.2	172.3	-57	177.7	0	0	0	107.8	I50 L69 I85 F94 V123 V130 I131 A132 A133	I50-I87 HydrophobicContact CB-CG1 4.36Å; I50-I87 HydrophobicContact CD1-CG1 4.42Å; I50-I87 CarbonylContact O-C 3.6Å; I50-I87 WeakPolarHBondContact O-CA 3.23Å; L69-I87 HydrophobicContact CD1-CD1 4.29Å; I85-I87 HydrophobicContact CG2-CG1 4.14Å; I87-F94 HydrophobicContact CG2-CE2 3.99Å; I87-F94 HydrophobicContact CG2-CZ 3.95Å; I87-V123 HydrophobicContact CD1-CG1 3.86Å; I87-V123 HydrophobicContact CD1-CG2 3.98Å; I87-V130 HydrophobicContact CD1-CG1 3.65Å; I87-V130 HydrophobicContact CG1-CG1 3.88Å; I87-I131 PolarHBondContact N-O 3.1Å; I87-A132 WeakPolarHBondContact O-CA 3.39Å; I87-A133 PolarHBondContact O-N 2.89Å
88	T	98.9	Very high	97.6	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	173.8	177.3	-163.3	0	0	0	0	111.2	L49 I50 Q51 L52 A133 V219	L49-T88 HydrophobicContact CD1-CG2 3.96Å; I50-T88 PolarHBondContact O-N 2.76Å; Q51-T88 CarbonylContact C-O 3.58Å; Q51-T88 WeakPolarHBondContact CA-O 3.47Å; Q51-T88 HydrophobicContact CB-CG2 3.87Å; Q51-T88 HydrophobicContact CG-CG2 4.03Å; L52-T88 PolarHBondContact N-O 3.36Å; T88-A133 WeakPolarHBondContact CA-O 3.47Å; T88-A133 WeakPolarHBondContact CB-O 3.48Å; T88-A133 PolarHBondContact OG1-O 3.31Å; T88-V219 HydrophobicContact CG2-CG2 4.28Å
89	G	98.6	Very high	97.6	Very high	6 Å²	6	27.4 Å²	27.4	6%	0.062	15%	0.153	C	C	.	.			trans	-127.2	-145.3	169.6	0	0	0	0	0	110.9	N59	N59-G89 WeakPolarHBondContact ND2-CA 3.33Å
90	S	97.9	Very high	97.5	Very high	29 Å²	29	30.4 Å²	30.4	20%	0.203	17%	0.168	C	C	.	.			trans	-85.2	170.5	175.2	72.2	0	0	0	0	111.9	N59 K92 A93	N59-S90 PolarHBondContact ND2-N 3.2Å; S90-K92 PolarHBondContact O-N 3.48Å; S90-K92 PolarHBondContact OG-N 3.31Å; S90-A93 PolarHBondContact N-O 3.02Å; S90-A93 CarbonylContact O-C 3.56Å; S90-A93 PolarHBondContact O-N 2.92Å; S90-A93 PolarHBondContact OG-N 3.38Å; S90-A93 PolarHBondContact OG-O 3.28Å
91	Q	96.6	Very high	97.5	Very high	82 Å²	82	34 Å²	34	38%	0.383	18%	0.181	S	C	.	.	S	Bend	trans	-60.6	-26.3	171.6	-75.1	-66.1	-11.5	0	0	113.7	N135 N157 S215	Q91-N135 PolarHBondContact NE2-ND2 2.82Å; Q91-N135 VanDerWaalsContact OE1-CG 3.23Å; Q91-N135 PolarHBondContact OE1-ND2 3.39Å; Q91-N157 PolarHBondContact O-ND2 3.4Å; Q91-S215 PolarHBondContact NE2-O 3.2Å
92	K	97.2	Very high	97.4	Very high	155 Å²	155	32.8 Å²	32.8	67%	0.674	17%	0.173	S	C	*	.	S	Bend	trans	-90.1	-30.7	-179.2	-68	-175.5	178.2	-179.1	0	113.2	F58 S90 G136 Y137	F58-K92 HydrophobicContact CE1-CD 4.46Å; S90-K92 PolarHBondContact O-N 3.48Å; S90-K92 PolarHBondContact OG-N 3.31Å; K92-G136 WeakPolarHBondContact O-CA 3.25Å; K92-Y137 PolarHBondContact O-N 2.99Å; K92-Y137 VanDerWaalsContact O-N 3.14Å
93	A	98.3	Very high	97.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	125.9	-178.2	0	0	0	0	0	110.2	F58 N59 S90 N135	F58-A93 HydrophobicContact CB-CB 3.87Å; F58-A93 HydrophobicContact CD1-CB 4.28Å; F58-A93 WeakPolarHBondContact O-CB 3.5Å; N59-A93 PolarHBondContact ND2-O 2.71Å; N59-A93 VanDerWaalsContact ND2-O 3.14Å; S90-A93 PolarHBondContact N-O 3.02Å; S90-A93 CarbonylContact O-C 3.56Å; S90-A93 PolarHBondContact O-N 2.92Å; S90-A93 PolarHBondContact OG-N 3.38Å; S90-A93 PolarHBondContact OG-O 3.28Å; A93-N135 CarbonylContact C-O 3.51Å
94	F	98.8	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	-61.5	155.2	179	-101.1	0	0	0	107.9	L52 N59 I87 V134 N135 Y137 A138 G142 L145 A146	L52-F94 WeakPolarHBondContact CD1-O 3.39Å; N59-F94 WeakPolarHBondContact CB-O 3.27Å; N59-F94 PolarHBondContact ND2-O 3.13Å; I87-F94 HydrophobicContact CG2-CE2 3.99Å; I87-F94 HydrophobicContact CG2-CZ 3.95Å; F94-V134 HydrophobicContact CB-CB 4.43Å; F94-V134 HydrophobicContact CB-CG1 3.85Å; F94-V134 HydrophobicContact CB-CG2 4.42Å; F94-V134 HydrophobicContact CD1-CG2 4.43Å; F94-V134 HydrophobicContact CD2-CG2 3.95Å; F94-V134 HydrophobicContact CE2-CG2 4.31Å; F94-V134 HydrophobicContact CG-CG1 4.33Å; F94-V134 HydrophobicContact CG-CG2 4.02Å; F94-N135 PolarHBondContact N-O 2.82Å; F94-Y137 WeakPolarHBondContact CA-O 3.45Å; F94-Y137 WeakPolarHBondContact CB-O 3.46Å; F94-Y137 PolarHBondContact N-O 3.04Å; F94-A138 HydrophobicContact CB-CB 4.25Å; F94-A138 HydrophobicContact CD1-CB 4.14Å; F94-G142 WeakPolarHBondContact CE1-O 3.37Å; F94-L145 HydrophobicContact CE1-CB 4.27Å; F94-L145 HydrophobicContact CE1-CD2 3.93Å; F94-L145 HydrophobicContact CE1-CG 3.99Å; F94-L145 HydrophobicContact CZ-CD2 4.06Å; F94-L145 HydrophobicContact CZ-CG 4.1Å; F94-A146 HydrophobicContact CE1-CB 4.01Å; F94-A146 HydrophobicContact CZ-CB 4.42Å
95	S	98.7	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	136.7	168.6	172	0	0	0	0	111.5	N59 L61 G97 Y137 A138 L139	N59-S95 WeakPolarHBondContact O-CB 3.45Å; N59-S95 PolarHBondContact O-OG 3.06Å; L61-S95 WeakPolarHBondContact CD1-OG 3.25Å; L61-S95 VanDerWaalsContact CG-OG 3.26Å; L61-S95 WeakPolarHBondContact CG-OG 3.5Å; S95-G97 PolarHBondContact O-N 3.28Å; S95-G97 PolarHBondContact OG-N 2.67Å; S95-Y137 CarbonylContact C-O 3.56Å; S95-Y137 PolarHBondContact N-O 3.26Å; S95-Y137 CarbonylContact O-C 3.53Å; S95-Y137 VanDerWaalsContact O-O 3.09Å; S95-A138 VanDerWaalsContact O-CA 3.32Å; S95-A138 WeakPolarHBondContact O-CA 3.27Å; S95-L139 PolarHBondContact O-N 3.46Å
96	A	97.8	Very high	96.4	Very high	41 Å²	41	48.7 Å²	48.7	34%	0.339	26%	0.264	S	S	.	.			trans	-78.3	4.6	174.9	0	0	0	0	0	114.5	F58 L139	F58-A96 HydrophobicContact CB-CB 3.78Å; F58-A96 PolarHBondContact O-N 3.2Å; A96-L139 CarbonylContact C-O 3.55Å
97	G	96.8	Very high	96.2	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.031	29%	0.285	C	S	.	.			trans	105.4	-163.6	179.8	0	0	0	0	0	113.1	A60 L61 S95 L139	A60-G97 CarbonylContact C-O 3.46Å; A60-G97 WeakPolarHBondContact CA-O 3.36Å; L61-G97 PolarHBondContact N-O 2.87Å; S95-G97 PolarHBondContact O-N 3.28Å; S95-G97 PolarHBondContact OG-N 2.67Å; G97-L139 WeakPolarHBondContact CA-O 3.17Å; G97-L139 PolarHBondContact N-O 2.99Å; G97-L139 VanDerWaalsContact N-O 3.12Å
98	A	96.2	Very high	96	Very high	27 Å²	27	59.9 Å²	59.9	22%	0.223	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-67.8	152.1	-178.4	0	0	0	0	0	112.2	I100 M103	A98-I100 WeakPolarHBondContact O-CD1 3.24Å; A98-I100 PolarHBondContact O-N 2.8Å; A98-M103 HydrophobicContact CB-SD 3.29Å; A98-M103 WeakPolarHBondContact CB-SD 3.4Å
99	D	96.5	Very high	95.8	Very high	19 Å²	19	63.1 Å²	63.1	10%	0.102	34%	0.342	C	S	.	.			trans	-71.7	101.9	175.4	-168.6	-38.8	0	0	0	110.7	R54 A60 L61 C62 Q101 E102 M103	R54-D99 IonicContact CZ-OD2 2.72Å; R54-D99 IonicContact NH1-OD2 2.65Å; R54-D99 PolarHBondContact NH1-OD2 2.83Å; R54-D99 IonicContact NH2-OD2 2.7Å; R54-D99 PolarHBondContact NH2-OD2 2.84Å; A60-D99 HydrophobicContact CB-CB 4.41Å; L61-D99 PolarHBondContact O-N 2.82Å; L61-D99 VanDerWaalsContact O-N 3.09Å; C62-D99 HydrophobicContact CB-CB 3.97Å; D99-Q101 VanDerWaalsContact C-N 3.26Å; D99-Q101 PolarHBondContact O-N 2.69Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.18Å; D99-Q101 PolarHBondContact OD1-N 2.84Å; D99-E102 HydrophobicContact CB-CB 3.98Å; D99-E102 PolarHBondContact O-N 2.9Å; D99-E102 PolarHBondContact OD1-N 3.05Å; D99-E102 VanDerWaalsContact OD1-N 3.1Å; D99-M103 WeakPolarHBondContact O-CB 3.3Å; D99-M103 WeakPolarHBondContact O-CG 3.18Å; D99-M103 PolarHBondContact O-N 3.41Å
100	I	95	Very high	95.6	Very high	86 Å²	86	65.2 Å²	65.2	44%	0.441	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-32.6	-177	-52.5	-51	0	0	0	111.8	A98 E102 M103 S104 I167	A98-I100 WeakPolarHBondContact O-CD1 3.24Å; A98-I100 PolarHBondContact O-N 2.8Å; I100-E102 VanDerWaalsContact C-N 3.32Å; I100-M103 PolarHBondContact O-N 2.97Å; I100-S104 VanDerWaalsContact O-CB 3.31Å; I100-S104 WeakPolarHBondContact O-CB 3.39Å; I100-S104 PolarHBondContact O-N 2.89Å; I100-S104 PolarHBondContact O-OG 2.78Å; I100-I167 HydrophobicContact CD1-CD1 3.51Å; I100-I167 HydrophobicContact CG1-CD1 4.43Å
101	Q	94.4	Very high	95.3	Very high	168 Å²	168	66.6 Å²	66.6	79%	0.785	36%	0.356	S	S	*	.	H	α-helix	trans	-68.1	-35.5	177.8	-173	175.6	9.5	0	0	111.3	D99	D99-Q101 VanDerWaalsContact C-N 3.26Å; D99-Q101 PolarHBondContact O-N 2.69Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.18Å; D99-Q101 PolarHBondContact OD1-N 2.84Å
102	E	93.3	Very high	95.2	Very high	59 Å²	59	71.1 Å²	71.1	28%	0.276	37%	0.371	S	S	.	.	H	α-helix	trans	-73.4	-32.1	172.9	-169.4	-174.3	147.4	0	0	112.6	C62 G63 D99 I100 R106	C62-E102 WeakPolarHBondContact CA-OE2 3.38Å; C62-E102 WeakPolarHBondContact CB-OE2 3.42Å; G63-E102 PolarHBondContact N-OE1 2.92Å; G63-E102 PolarHBondContact N-OE2 3.35Å; D99-E102 HydrophobicContact CB-CB 3.98Å; D99-E102 PolarHBondContact O-N 2.9Å; D99-E102 PolarHBondContact OD1-N 3.05Å; D99-E102 VanDerWaalsContact OD1-N 3.1Å; I100-E102 VanDerWaalsContact C-N 3.32Å; E102-R106 IonicContact OE1-CZ 2.81Å; E102-R106 IonicContact OE1-NH2 3.83Å; E102-R106 PolarHBondContact OE1-NH2 2.68Å
103	M	92.3	Very high	95	Very high	71 Å²	71	68 Å²	68	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-87.5	-30	-173.9	-73.8	-172.9	65.2	0	0	114.5	A98 D99 I100 S105 R106	A98-M103 HydrophobicContact CB-SD 3.29Å; A98-M103 WeakPolarHBondContact CB-SD 3.4Å; D99-M103 WeakPolarHBondContact O-CB 3.3Å; D99-M103 WeakPolarHBondContact O-CG 3.18Å; D99-M103 PolarHBondContact O-N 3.41Å; I100-M103 PolarHBondContact O-N 2.97Å; M103-S105 PolarHBondContact O-N 3.05Å; M103-S105 VanDerWaalsContact O-N 3.08Å; M103-R106 WeakPolarHBondContact O-CB 3.1Å; M103-R106 PolarHBondContact O-N 3.48Å
104	S	93.8	Very high	94.7	Very high	97 Å²	97	75.2 Å²	75.2	68%	0.678	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.3	-168.8	62	0	0	0	0	114.5	I100	I100-S104 VanDerWaalsContact O-CB 3.31Å; I100-S104 WeakPolarHBondContact O-CB 3.39Å; I100-S104 PolarHBondContact O-N 2.89Å; I100-S104 PolarHBondContact O-OG 2.78Å
105	S	92.5	Very high	94.4	Very high	96 Å²	96	79.2 Å²	79.2	67%	0.671	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.9	177.9	65.7	0	0	0	0	114	M103	M103-S105 PolarHBondContact O-N 3.05Å; M103-S105 VanDerWaalsContact O-N 3.08Å
106	R	93	Very high	93.9	Very high	80 Å²	80	80.1 Å²	80.1	30%	0.302	43%	0.427	S	S	.	.			trans	-78.5	139.2	-175.4	-62.1	-172.8	-179.5	-166.6	-2.4	110.9	E102 M103 D110 M111	E102-R106 IonicContact OE1-CZ 2.81Å; E102-R106 IonicContact OE1-NH2 3.83Å; E102-R106 PolarHBondContact OE1-NH2 2.68Å; M103-R106 WeakPolarHBondContact O-CB 3.1Å; M103-R106 PolarHBondContact O-N 3.48Å; R106-D110 HydrophobicContact CB-CB 4.48Å; R106-M111 HydrophobicContact CB-CG 4.26Å; R106-M111 HydrophobicContact CB-SD 4.17Å; R106-M111 WeakPolarHBondContact CD-SD 3.47Å; R106-M111 HydrophobicContact CG-SD 4.44Å; R106-M111 PolarHBondContact NH1-SD 2.97Å; R106-M111 VanDerWaalsContact NH1-SD 3.44Å
107	T	94.4	Very high	93.5	Very high	74 Å²	74	81 Å²	81	45%	0.454	43%	0.425	S	S	.	.			trans	-94.7	166.4	174.3	67.1	0	0	0	0	111.5	S109 D110 M111	T107-S109 PolarHBondContact O-N 3.22Å; T107-S109 PolarHBondContact OG1-N 3.01Å; T107-D110 PolarHBondContact N-OD2 3.39Å; T107-D110 VanDerWaalsContact N-OD2 3.09Å; T107-D110 PolarHBondContact O-N 3.2Å; T107-D110 PolarHBondContact OG1-N 3.03Å; T107-D110 VanDerWaalsContact OG1-N 3.12Å; T107-D110 PolarHBondContact OG1-OD2 2.86Å; T107-M111 WeakPolarHBondContact O-CG 3.45Å; T107-M111 PolarHBondContact O-N 2.96Å
108	F	94.8	Very high	93.2	Very high	161 Å²	161	86.2 Å²	86.2	71%	0.706	45%	0.449	S	S	*	.	H	α-helix	trans	-52.6	-43.2	167.8	170.4	-98.9	0	0	0	111.5	D110 M111 Y112	F108-D110 PolarHBondContact O-N 2.89Å; F108-M111 PolarHBondContact O-N 3.49Å; F108-Y112 HydrophobicContact CE1-CG 4.32Å; F108-Y112 HydrophobicContact CE2-CD2 4.16Å; F108-Y112 HydrophobicContact CE2-CG 4.4Å; F108-Y112 AromaticContact CZ-CD2 3.85Å; F108-Y112 HydrophobicContact CZ-CD2 3.85Å; F108-Y112 AromaticContact CZ-CG 3.89Å; F108-Y112 HydrophobicContact CZ-CG 3.89Å; F108-Y112 VanDerWaalsContact O-CB 3.25Å; F108-Y112 WeakPolarHBondContact O-CB 3.25Å; F108-Y112 PolarHBondContact O-N 3.33Å
109	S	95.9	Very high	92.8	Very high	72 Å²	72	88.4 Å²	88.4	50%	0.503	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-42.3	179.1	-172.2	0	0	0	0	112.1	T107 S113	T107-S109 PolarHBondContact O-N 3.22Å; T107-S109 PolarHBondContact OG1-N 3.01Å; S109-S113 WeakPolarHBondContact O-CB 3.33Å; S109-S113 PolarHBondContact O-N 3.37Å; S109-S113 PolarHBondContact O-OG 2.82Å
110	D	92.7	Very high	92.5	Very high	50 Å²	50	88.7 Å²	88.7	27%	0.267	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-47.4	175.2	-71.2	-64.4	0	0	0	112	R106 T107 F108 K114	R106-D110 HydrophobicContact CB-CB 4.48Å; T107-D110 PolarHBondContact N-OD2 3.39Å; T107-D110 VanDerWaalsContact N-OD2 3.09Å; T107-D110 PolarHBondContact O-N 3.2Å; T107-D110 PolarHBondContact OG1-N 3.03Å; T107-D110 VanDerWaalsContact OG1-N 3.12Å; T107-D110 PolarHBondContact OG1-OD2 2.86Å; F108-D110 PolarHBondContact O-N 2.89Å; D110-K114 VanDerWaalsContact O-CB 3.26Å; D110-K114 WeakPolarHBondContact O-CB 3.4Å; D110-K114 WeakPolarHBondContact O-CG 3.36Å; D110-K114 PolarHBondContact O-N 3.1Å; D110-K114 VanDerWaalsContact O-N 3.13Å; D110-K114 IonicContact OD1-NZ 3.13Å; D110-K114 PolarHBondContact OD1-NZ 3.31Å
111	M	93.1	Very high	92.4	Very high	57 Å²	57	87.3 Å²	87.3	28%	0.281	45%	0.447	S	S	.	.	H	α-helix	trans	-68.7	-43.6	-176.7	-67.3	-60.2	-64.7	0	0	111.6	R106 T107 F108 D115 P116	R106-M111 HydrophobicContact CB-CG 4.26Å; R106-M111 HydrophobicContact CB-SD 4.17Å; R106-M111 WeakPolarHBondContact CD-SD 3.47Å; R106-M111 HydrophobicContact CG-SD 4.44Å; R106-M111 PolarHBondContact NH1-SD 2.97Å; R106-M111 VanDerWaalsContact NH1-SD 3.44Å; T107-M111 WeakPolarHBondContact O-CG 3.45Å; T107-M111 PolarHBondContact O-N 2.96Å; F108-M111 PolarHBondContact O-N 3.49Å; M111-D115 WeakPolarHBondContact O-CA 3.35Å; M111-D115 PolarHBondContact O-N 3.06Å; M111-D115 VanDerWaalsContact O-N 3.16Å; M111-P116 HydrophobicContact CE-CG 3.52Å; M111-P116 WeakPolarHBondContact O-CD 3.33Å; M111-P116 HydrophobicContact SD-CG 3.74Å
112	Y	93.1	Very high	92.5	Very high	178 Å²	178	80.1 Å²	80.1	70%	0.698	42%	0.416	S	S	*	.	H	α-helix	trans	-72.9	-38.7	-178.2	-168.5	-96.6	0	0	0	112.4	F108	F108-Y112 HydrophobicContact CE1-CG 4.32Å; F108-Y112 HydrophobicContact CE2-CD2 4.16Å; F108-Y112 HydrophobicContact CE2-CG 4.4Å; F108-Y112 AromaticContact CZ-CD2 3.85Å; F108-Y112 HydrophobicContact CZ-CD2 3.85Å; F108-Y112 AromaticContact CZ-CG 3.89Å; F108-Y112 HydrophobicContact CZ-CG 3.89Å; F108-Y112 VanDerWaalsContact O-CB 3.25Å; F108-Y112 WeakPolarHBondContact O-CB 3.25Å; F108-Y112 PolarHBondContact O-N 3.33Å
113	S	94.5	Very high	92.7	Very high	90 Å²	90	77.4 Å²	77.4	63%	0.629	40%	0.404	S	S	*	.	H	α-helix	trans	-80.2	-31.9	-176.4	-52	0	0	0	0	113.4	S109	S109-S113 WeakPolarHBondContact O-CB 3.33Å; S109-S113 PolarHBondContact O-N 3.37Å; S109-S113 PolarHBondContact O-OG 2.82Å
114	K	91.6	Very high	92.9	Very high	150 Å²	150	74.4 Å²	74.4	65%	0.652	39%	0.39	S	S	*	.	H	α-helix	trans	-97.3	-14.1	-176.4	-61.9	170.6	179.9	154.7	0	113.5	D110	D110-K114 VanDerWaalsContact O-CB 3.26Å; D110-K114 WeakPolarHBondContact O-CB 3.4Å; D110-K114 WeakPolarHBondContact O-CG 3.36Å; D110-K114 PolarHBondContact O-N 3.1Å; D110-K114 VanDerWaalsContact O-N 3.13Å; D110-K114 IonicContact OD1-NZ 3.13Å; D110-K114 PolarHBondContact OD1-NZ 3.31Å
115	D	91.4	Very high	93	Very high	84 Å²	84	74.6 Å²	74.6	45%	0.449	38%	0.384	S	S	.	.			trans	36.1	63.1	-175.8	-168.4	7.3	0	0	0	113.8	M111 L117 E118	M111-D115 WeakPolarHBondContact O-CA 3.35Å; M111-D115 PolarHBondContact O-N 3.06Å; M111-D115 VanDerWaalsContact O-N 3.16Å; D115-L117 PolarHBondContact O-N 2.9Å; D115-E118 PolarHBondContact O-N 3.3Å; D115-E118 VanDerWaalsContact O-N 3.14Å
116	P	88.6	Confident	93.3	Very high	20 Å²	20	70.2 Å²	70.2	13%	0.13	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-5.3	-177.3	30.4	-36.5	0	0	0	113	M111 M119	M111-P116 HydrophobicContact CE-CG 3.52Å; M111-P116 WeakPolarHBondContact O-CD 3.33Å; M111-P116 HydrophobicContact SD-CG 3.74Å; P116-M119 WeakPolarHBondContact O-CG 3.35Å
117	L	90.1	Very high	93.5	Very high	58 Å²	58	73.7 Å²	73.7	30%	0.304	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-21.7	176.4	-66.4	175	0	0	0	111.9	D115 M119 W120 G172 A173	D115-L117 PolarHBondContact O-N 2.9Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3.26Å; L117-W120 VanDerWaalsContact O-CB 3.25Å; L117-W120 WeakPolarHBondContact O-CB 3.44Å; L117-W120 PolarHBondContact O-N 2.9Å; L117-G172 WeakPolarHBondContact CD1-O 3.48Å; L117-A173 HydrophobicContact CD2-CB 4.12Å
118	E	89.6	Confident	93.7	Very high	113 Å²	113	70.2 Å²	70.2	53%	0.528	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-60.6	-36.9	180	-179.5	56.6	-164.5	0	0	112.6	D115 W120 Q121	D115-E118 PolarHBondContact O-N 3.3Å; D115-E118 VanDerWaalsContact O-N 3.14Å; E118-W120 PolarHBondContact O-N 3.47Å; E118-W120 VanDerWaalsContact O-N 3.12Å; E118-Q121 WeakPolarHBondContact O-CB 3.36Å; E118-Q121 WeakPolarHBondContact O-CG 3.36Å; E118-Q121 PolarHBondContact O-N 2.86Å
119	M	87.2	Confident	93.8	Very high	74 Å²	74	63.2 Å²	63.2	37%	0.365	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-62.2	-22.8	177.8	56.6	171.5	74.2	0	0	113.7	I66 P116 L117 Q121	I66-M119 HydrophobicContact CB-CG 4.43Å; I66-M119 HydrophobicContact CB-SD 3.79Å; I66-M119 HydrophobicContact CG2-CB 4.12Å; I66-M119 HydrophobicContact CG2-CG 3.48Å; I66-M119 VanDerWaalsContact CG2-CG 3.48Å; I66-M119 HydrophobicContact CG2-SD 3.49Å; I66-M119 WeakPolarHBondContact CG2-SD 3.42Å; P116-M119 WeakPolarHBondContact O-CG 3.35Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3.26Å; M119-Q121 VanDerWaalsContact C-N 3.25Å; M119-Q121 PolarHBondContact O-N 3.29Å
120	W	90.5	Very high	94	Very high	25 Å²	25	59.8 Å²	59.8	10%	0.095	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-71.4	-23.8	177.2	-65.1	63.1	0	0	0	112.3	L61 I66 L117 E118 A122 V123 G141 L145 M148 A173	L61-W120 HydrophobicContact CB-CH2 3.99Å; L61-W120 HydrophobicContact CB-CZ2 4.2Å; L61-W120 HydrophobicContact CD1-CH2 3.31Å; L61-W120 HydrophobicContact CD1-CZ2 4.3Å; L61-W120 HydrophobicContact CD1-CZ3 3.68Å; L61-W120 HydrophobicContact CG-CH2 4.25Å; I66-W120 HydrophobicContact CD1-CD2 3.99Å; I66-W120 HydrophobicContact CD1-CE3 4.18Å; I66-W120 HydrophobicContact CD1-CH2 4Å; I66-W120 HydrophobicContact CD1-CZ2 3.76Å; I66-W120 HydrophobicContact CD1-CZ3 4.19Å; I66-W120 HydrophobicContact CG1-CD2 4.43Å; I66-W120 HydrophobicContact CG1-CZ2 3.87Å; I66-W120 HydrophobicContact CG2-CD2 4.35Å; I66-W120 HydrophobicContact CG2-CG 4.04Å; L117-W120 VanDerWaalsContact O-CB 3.25Å; L117-W120 WeakPolarHBondContact O-CB 3.44Å; L117-W120 PolarHBondContact O-N 2.9Å; E118-W120 PolarHBondContact O-N 3.47Å; E118-W120 VanDerWaalsContact O-N 3.12Å; W120-A122 PolarHBondContact O-N 3.44Å; W120-A122 VanDerWaalsContact O-N 3.09Å; W120-V123 PolarHBondContact O-N 3.11Å; W120-G141 WeakPolarHBondContact CZ3-O 3.31Å; W120-L145 HydrophobicContact CZ3-CB 4.4Å; W120-M148 HydrophobicContact CB-CE 3.96Å; W120-M148 HydrophobicContact CB-SD 4.25Å; W120-M148 HydrophobicContact CE3-CE 4.05Å; W120-A173 HydrophobicContact CD2-CB 4.33Å; W120-A173 HydrophobicContact CE3-CB 4.02Å; W120-A173 HydrophobicContact CZ3-CB 4.26Å
121	Q	93.8	Very high	94.3	Very high	56 Å²	56	57.4 Å²	57.4	26%	0.262	28%	0.279	S	S	.	.	H	α-helix	trans	-67.1	-14.5	-173.8	-59.2	-64.9	-1.5	0	0	113.1	E118 M119 V123 A124 N125	E118-Q121 WeakPolarHBondContact O-CB 3.36Å; E118-Q121 WeakPolarHBondContact O-CG 3.36Å; E118-Q121 PolarHBondContact O-N 2.86Å; M119-Q121 VanDerWaalsContact C-N 3.25Å; M119-Q121 PolarHBondContact O-N 3.29Å; Q121-V123 VanDerWaalsContact C-N 3.26Å; Q121-V123 PolarHBondContact O-N 3.15Å; Q121-A124 PolarHBondContact O-N 3.04Å; Q121-N125 WeakPolarHBondContact O-CB 3.32Å; Q121-N125 VanDerWaalsContact O-CG 3.26Å; Q121-N125 PolarHBondContact O-N 3.04Å; Q121-N125 PolarHBondContact O-ND2 3.3Å
122	A	96.2	Very high	94.6	Very high	17 Å²	17	54.7 Å²	54.7	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-56.5	-39.1	177.5	0	0	0	0	0	113	S70 W120 A126	S70-A122 VanDerWaalsContact OG-CB 3.22Å; S70-A122 WeakPolarHBondContact OG-CB 3.11Å; W120-A122 PolarHBondContact O-N 3.44Å; W120-A122 VanDerWaalsContact O-N 3.09Å; A122-A126 PolarHBondContact O-N 2.87Å
123	V	97.6	Very high	94.8	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-68.3	-50.2	177	178	0	0	0	0	110.3	L69 V73 I87 W120 Q121 N125 A126 V130 L145 M148	L69-V123 HydrophobicContact CD2-CG2 4.16Å; L69-V123 HydrophobicContact CG-CG2 4.21Å; V73-V123 HydrophobicContact CG2-CG2 4.05Å; I87-V123 HydrophobicContact CD1-CG1 3.86Å; I87-V123 HydrophobicContact CD1-CG2 3.98Å; W120-V123 PolarHBondContact O-N 3.11Å; Q121-V123 VanDerWaalsContact C-N 3.26Å; Q121-V123 PolarHBondContact O-N 3.15Å; V123-N125 VanDerWaalsContact C-N 3.26Å; V123-N125 PolarHBondContact O-N 3.31Å; V123-A126 WeakPolarHBondContact O-CB 3.25Å; V123-A126 PolarHBondContact O-N 2.76Å; V123-V130 HydrophobicContact CG1-CG1 4.38Å; V123-L145 HydrophobicContact CB-CD1 4.28Å; V123-L145 HydrophobicContact CG1-CD1 4.18Å; V123-L145 HydrophobicContact CG2-CD1 3.78Å; V123-M148 HydrophobicContact CB-CB 4.22Å; V123-M148 HydrophobicContact CG1-CB 3.84Å
124	A	95.9	Very high	95	Very high	7 Å²	7	41.9 Å²	41.9	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-36.2	178.6	0	0	0	0	0	111.8	Q121 M148 K245	Q121-A124 PolarHBondContact O-N 3.04Å; A124-M148 HydrophobicContact CB-CB 4.22Å; A124-M148 HydrophobicContact CB-CG 4.23Å; A124-K245 PolarHBondContact O-NZ 3Å
125	N	96.4	Very high	95.4	Very high	102 Å²	102	34.9 Å²	34.9	55%	0.545	17%	0.172	S	C	.	.	H	α-helix	trans	-89.5	-5.1	-176	-68.1	-22.7	0	0	0	114.2	Q121 V123 R127	Q121-N125 WeakPolarHBondContact O-CB 3.32Å; Q121-N125 VanDerWaalsContact O-CG 3.26Å; Q121-N125 PolarHBondContact O-N 3.04Å; Q121-N125 PolarHBondContact O-ND2 3.3Å; V123-N125 VanDerWaalsContact C-N 3.26Å; V123-N125 PolarHBondContact O-N 3.31Å; N125-R127 PolarHBondContact O-N 2.72Å
126	A	97.9	Very high	95.7	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.033	15%	0.153	C	C	.	.			trans	-53.6	132.5	174.5	0	0	0	0	0	110.2	V73 E77 A122 V123 V130 K241	V73-A126 HydrophobicContact CG1-CB 3.88Å; E77-A126 HydrophobicContact CG-CB 4.49Å; A122-A126 PolarHBondContact O-N 2.87Å; V123-A126 WeakPolarHBondContact O-CB 3.25Å; V123-A126 PolarHBondContact O-N 2.76Å; A126-V130 HydrophobicContact CB-CG2 3.65Å; A126-K241 WeakPolarHBondContact O-CE 3.37Å; A126-K241 PolarHBondContact O-NZ 3.12Å
127	R	97.7	Very high	96.2	Very high	153 Å²	153	34 Å²	34	58%	0.577	16%	0.162	S	C	*	.	S	Bend	trans	-86	-32	-179.3	-62	-178.7	65.3	-172.9	-0.2	111.3	E77 N125 M238	E77-R127 VanDerWaalsContact CD-N 3.31Å; E77-R127 PolarHBondContact OE1-N 3.4Å; E77-R127 VanDerWaalsContact OE1-N 3.1Å; E77-R127 WeakPolarHBondContact OE2-CB 3.48Å; E77-R127 PolarHBondContact OE2-N 3.4Å; E77-R127 VanDerWaalsContact OE2-N 3.08Å; N125-R127 PolarHBondContact O-N 2.72Å; R127-M238 HydrophobicContact CB-CE 4.18Å; R127-M238 HydrophobicContact CB-CG 4.15Å; R127-M238 HydrophobicContact CB-SD 4.22Å; R127-M238 WeakPolarHBondContact O-CG 3.38Å
128	K	98.2	Very high	96.6	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	15%	0.148	C	C	.	.	S	Bend	trans	-69.3	149.4	170.2	-64.8	175.2	-174.3	178.6	0	109.7	F76 E77 D79 I82 V130 M238 K241	F76-K128 PolarHBondContact O-NZ 2.82Å; E77-K128 WeakPolarHBondContact O-CE 3.16Å; E77-K128 PolarHBondContact O-NZ 3Å; E77-K128 WeakPolarHBondContact OE1-CA 3.42Å; E77-K128 WeakPolarHBondContact OE1-CB 3.33Å; E77-K128 VanDerWaalsContact OE1-CG 3.26Å; E77-K128 WeakPolarHBondContact OE1-CG 3.34Å; E77-K128 PolarHBondContact OE1-N 3.5Å; D79-K128 PolarHBondContact O-NZ 2.95Å; I82-K128 WeakPolarHBondContact O-CD 3.26Å; I82-K128 WeakPolarHBondContact O-CE 3.5Å; I82-K128 PolarHBondContact O-NZ 3.41Å; K128-V130 PolarHBondContact O-N 2.82Å; K128-M238 HydrophobicContact CD-CE 4.45Å; K128-M238 HydrophobicContact CG-CE 3.5Å; K128-K241 PolarHBondContact O-NZ 2.84Å
129	P	98.6	Very high	97.1	Very high	13 Å²	13	26.6 Å²	26.6	8%	0.084	13%	0.126	C	C	.	.			trans	-60.4	136.3	173.9	-29.3	40.7	0	0	0	112.1	A84 I85 D150 I229	A84-P129 CarbonylContact C-O 3.54Å; A84-P129 WeakPolarHBondContact CA-O 3.26Å; A84-P129 HydrophobicContact CB-CB 4.47Å; I85-P129 PolarHBondContact N-O 2.86Å; P129-D150 VanDerWaalsContact CA-OD2 3.25Å; P129-D150 WeakPolarHBondContact CA-OD2 3.43Å; P129-I229 HydrophobicContact CB-CD1 4.37Å; P129-I229 HydrophobicContact CB-CG2 3.95Å; P129-I229 HydrophobicContact CG-CG2 3.64Å
130	V	98.9	Very high	97.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125	-180	-170	0	0	0	0	108.7	I85 I87 V123 A126 K128 C149 D150	I85-V130 HydrophobicContact CB-CG1 4.29Å; I85-V130 HydrophobicContact CB-CG2 4.28Å; I85-V130 HydrophobicContact CG2-CG1 4.21Å; I85-V130 CarbonylContact O-C 3.42Å; I85-V130 VanDerWaalsContact O-CA 3.32Å; I85-V130 WeakPolarHBondContact O-CA 3.46Å; I87-V130 HydrophobicContact CD1-CG1 3.65Å; I87-V130 HydrophobicContact CG1-CG1 3.88Å; V123-V130 HydrophobicContact CG1-CG1 4.38Å; A126-V130 HydrophobicContact CB-CG2 3.65Å; K128-V130 PolarHBondContact O-N 2.82Å; V130-C149 HydrophobicContact CB-CB 4.49Å; V130-C149 HydrophobicContact CG1-CB 4.25Å; V130-D150 PolarHBondContact N-OD2 2.76Å; V130-D150 WeakPolarHBondContact O-CB 3.42Å; V130-D150 PolarHBondContact O-N 3.06Å
131	I	98.9	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.9	179.5	-49.2	178.4	0	0	0	108.6	I85 V86 I87 F151 A222 T225 A226 I229	I85-I131 PolarHBondContact O-N 3.08Å; V86-I131 CarbonylContact C-O 3.41Å; V86-I131 WeakPolarHBondContact CA-O 3.39Å; V86-I131 HydrophobicContact CG2-CB 4.41Å; I87-I131 PolarHBondContact N-O 3.1Å; I131-F151 HydrophobicContact CB-CE2 4.22Å; I131-F151 HydrophobicContact CB-CZ 4.4Å; I131-F151 HydrophobicContact CD1-CE1 4.28Å; I131-F151 HydrophobicContact CD1-CE2 3.66Å; I131-F151 HydrophobicContact CD1-CZ 3.35Å; I131-F151 HydrophobicContact CG1-CD2 4.47Å; I131-F151 HydrophobicContact CG1-CE1 3.95Å; I131-F151 HydrophobicContact CG1-CE2 3.71Å; I131-F151 HydrophobicContact CG1-CZ 3.42Å; I131-F151 VanDerWaalsContact CG1-CZ 3.42Å; I131-F151 HydrophobicContact CG2-CD2 3.87Å; I131-F151 HydrophobicContact CG2-CE2 3.56Å; I131-F151 HydrophobicContact CG2-CZ 4.22Å; I131-A222 HydrophobicContact CG2-CB 4.17Å; I131-T225 HydrophobicContact CD1-CG2 4.12Å; I131-A226 HydrophobicContact CD1-CB 3.88Å; I131-I229 HydrophobicContact CD1-CD1 4.27Å
132	A	99	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.1	166.3	0	0	0	0	0	109.6	I87 V134 A146 C149 F151 I152 Y153	I87-A132 WeakPolarHBondContact O-CA 3.39Å; A132-V134 HydrophobicContact CB-CG2 4.06Å; A132-A146 HydrophobicContact CB-CB 4.11Å; A132-C149 HydrophobicContact CB-CB 3.94Å; A132-F151 PolarHBondContact N-O 2.78Å; A132-I152 HydrophobicContact CB-CB 4.45Å; A132-I152 HydrophobicContact CB-CG1 4.12Å; A132-I152 HydrophobicContact CB-CG2 4.28Å; A132-Y153 PolarHBondContact O-N 2.86Å
133	A	98.9	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	100.5	168.7	0	0	0	0	0	108.6	V86 I87 T88 Y153 V218 V219 A222	V86-A133 HydrophobicContact CG1-CB 3.93Å; I87-A133 PolarHBondContact O-N 2.89Å; T88-A133 WeakPolarHBondContact CA-O 3.47Å; T88-A133 WeakPolarHBondContact CB-O 3.48Å; T88-A133 PolarHBondContact OG1-O 3.31Å; A133-Y153 WeakPolarHBondContact CA-O 3.46Å; A133-V218 HydrophobicContact CB-CG2 4.35Å; A133-V219 HydrophobicContact CB-CG2 4.19Å; A133-A222 HydrophobicContact CB-CB 3.73Å
134	V	98.9	Very high	98.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.4	-168.6	178.2	0	0	0	0	110.3	F94 A132 A138 A146 I152 Y153 A154 G155 A158 F160	F94-V134 HydrophobicContact CB-CB 4.43Å; F94-V134 HydrophobicContact CB-CG1 3.85Å; F94-V134 HydrophobicContact CB-CG2 4.42Å; F94-V134 HydrophobicContact CD1-CG2 4.43Å; F94-V134 HydrophobicContact CD2-CG2 3.95Å; F94-V134 HydrophobicContact CE2-CG2 4.31Å; F94-V134 HydrophobicContact CG-CG1 4.33Å; F94-V134 HydrophobicContact CG-CG2 4.02Å; A132-V134 HydrophobicContact CB-CG2 4.06Å; V134-A138 HydrophobicContact CG1-CB 3.8Å; V134-A146 HydrophobicContact CG2-CB 4.12Å; V134-I152 HydrophobicContact CB-CG2 4.4Å; V134-I152 HydrophobicContact CG2-CG2 3.78Å; V134-Y153 PolarHBondContact N-O 2.84Å; V134-A154 CarbonylContact O-C 3.54Å; V134-A154 WeakPolarHBondContact O-CA 3.32Å; V134-G155 PolarHBondContact O-N 3.06Å; V134-A158 HydrophobicContact CG1-CB 3.94Å; V134-F160 HydrophobicContact CB-CE1 4.2Å; V134-F160 HydrophobicContact CB-CZ 3.89Å; V134-F160 HydrophobicContact CG1-CE1 3.83Å; V134-F160 HydrophobicContact CG1-CE2 4.45Å; V134-F160 HydrophobicContact CG1-CZ 3.64Å; V134-F160 HydrophobicContact CG2-CE1 4.06Å; V134-F160 HydrophobicContact CG2-CZ 4.19Å
135	N	98.8	Very high	98.4	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	9%	0.086	C	C	.	.			trans	-117.8	149.3	163.3	-89.6	-44.6	0	0	0	109.4	Q91 A93 F94 G155 N157 S215 V218	Q91-N135 PolarHBondContact NE2-ND2 2.82Å; Q91-N135 VanDerWaalsContact OE1-CG 3.23Å; Q91-N135 PolarHBondContact OE1-ND2 3.39Å; A93-N135 CarbonylContact C-O 3.51Å; F94-N135 PolarHBondContact N-O 2.82Å; N135-G155 WeakPolarHBondContact OD1-CA 3.35Å; N135-N157 PolarHBondContact OD1-OD1 3.46Å; N135-S215 PolarHBondContact ND2-O 3.39Å; N135-S215 WeakPolarHBondContact OD1-CA 3.38Å; N135-S215 WeakPolarHBondContact OD1-CB 3.14Å; N135-S215 PolarHBondContact OD1-O 3Å; N135-S215 PolarHBondContact OD1-OG 3.14Å; N135-V218 WeakPolarHBondContact ND2-CG1 3.35Å
136	G	98.6	Very high	98.6	Very high	6 Å²	6	13.8 Å²	13.8	6%	0.062	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	55.4	-140.9	179.3	0	0	0	0	0	113.2	K92 A138 N157 A158 Q159	K92-G136 WeakPolarHBondContact O-CA 3.25Å; G136-A138 PolarHBondContact O-N 3.29Å; G136-N157 WeakPolarHBondContact CA-O 3.46Å; G136-N157 PolarHBondContact N-OD1 2.97Å; G136-A158 CarbonylContact O-C 3.56Å; G136-A158 VanDerWaalsContact O-CA 3.27Å; G136-A158 WeakPolarHBondContact O-CA 2.91Å; G136-Q159 PolarHBondContact O-N 2.95Å
137	Y	98.7	Very high	98.6	Very high	79 Å²	79	14.5 Å²	14.5	31%	0.31	6%	0.064	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.9	-173.9	-62.4	-52.9	0	0	0	114.2	K92 F94 S95 L139 Q159 R197	K92-Y137 PolarHBondContact O-N 2.99Å; K92-Y137 VanDerWaalsContact O-N 3.14Å; F94-Y137 WeakPolarHBondContact CA-O 3.45Å; F94-Y137 WeakPolarHBondContact CB-O 3.46Å; F94-Y137 PolarHBondContact N-O 3.04Å; S95-Y137 CarbonylContact C-O 3.56Å; S95-Y137 PolarHBondContact N-O 3.26Å; S95-Y137 CarbonylContact O-C 3.53Å; S95-Y137 VanDerWaalsContact O-O 3.09Å; Y137-L139 HydrophobicContact CD1-CD1 4.09Å; Y137-L139 HydrophobicContact CD1-CG 4.4Å; Y137-L139 HydrophobicContact CG-CD1 4.18Å; Y137-Q159 HydrophobicContact CD1-CB 4.03Å; Y137-Q159 HydrophobicContact CE1-CB 4.31Å; Y137-R197 VanDerWaalsContact CE1-NH1 3.25Å
138	A	98.8	Very high	98.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	91.3	159.9	0	0	0	0	0	107.7	F94 S95 V134 G136 C143 Q159 F160 G161	F94-A138 HydrophobicContact CB-CB 4.25Å; F94-A138 HydrophobicContact CD1-CB 4.14Å; S95-A138 VanDerWaalsContact O-CA 3.32Å; S95-A138 WeakPolarHBondContact O-CA 3.27Å; V134-A138 HydrophobicContact CG1-CB 3.8Å; G136-A138 PolarHBondContact O-N 3.29Å; A138-C143 WeakPolarHBondContact O-CB 3.27Å; A138-Q159 PolarHBondContact N-O 3.43Å; A138-F160 HydrophobicContact CB-CD1 3.87Å; A138-F160 HydrophobicContact CB-CE1 4.03Å; A138-F160 WeakPolarHBondContact O-CA 2.97Å; A138-G161 PolarHBondContact O-N 3.5Å; A138-G161 VanDerWaalsContact O-N 3.16Å
139	L	98.7	Very high	98.6	Very high	15 Å²	15	8.2 Å²	8.2	8%	0.079	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.3	-171.1	-58.8	177.8	0	0	0	111.2	S95 A96 G97 Y137 G141 G142 G161 P163 R197	S95-L139 PolarHBondContact O-N 3.46Å; A96-L139 CarbonylContact C-O 3.55Å; G97-L139 WeakPolarHBondContact CA-O 3.17Å; G97-L139 PolarHBondContact N-O 2.99Å; G97-L139 VanDerWaalsContact N-O 3.12Å; Y137-L139 HydrophobicContact CD1-CD1 4.09Å; Y137-L139 HydrophobicContact CD1-CG 4.4Å; Y137-L139 HydrophobicContact CG-CD1 4.18Å; L139-G141 PolarHBondContact O-N 3.37Å; L139-G142 WeakPolarHBondContact O-CA 3.45Å; L139-G142 PolarHBondContact O-N 2.84Å; L139-G161 CarbonylContact C-O 3.57Å; L139-G161 WeakPolarHBondContact CA-O 3.4Å; L139-P163 HydrophobicContact CB-CG 4.18Å; L139-R197 HydrophobicContact CD2-CG 4.09Å
140	G	98.3	Very high	98.6	Very high	3 Å²	3	10.3 Å²	10.3	3%	0.031	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-124.8	177.8	0	0	0	0	0	111.6	G142 C143 E144 G161 Q162 E164	G140-G142 PolarHBondContact O-N 2.85Å; G140-C143 WeakPolarHBondContact O-CA 3.33Å; G140-C143 WeakPolarHBondContact O-CB 3.2Å; G140-C143 PolarHBondContact O-N 2.94Å; G140-E144 WeakPolarHBondContact O-CG 3.39Å; G140-E144 PolarHBondContact O-N 2.88Å; G140-G161 PolarHBondContact N-O 3.43Å; G140-Q162 PolarHBondContact O-OE1 2.99Å; G140-E164 VanDerWaalsContact CA-CD 3.48Å; G140-E164 WeakPolarHBondContact CA-OE1 3.33Å
141	G	97.8	Very high	98.6	Very high	3 Å²	3	13 Å²	13	3%	0.031	6%	0.064	C	C	.	.	H	α-helix	trans	-45.9	-33.8	169.8	0	0	0	0	0	115.4	L61 W120 L139 E144 L145	L61-G141 VanDerWaalsContact CD1-C 3.49Å; W120-G141 WeakPolarHBondContact CZ3-O 3.31Å; L139-G141 PolarHBondContact O-N 3.37Å; G141-E144 VanDerWaalsContact CA-OE2 3.28Å; G141-E144 WeakPolarHBondContact CA-OE2 3.46Å; G141-E144 PolarHBondContact N-OE2 2.84Å; G141-E144 PolarHBondContact O-N 2.81Å; G141-L145 WeakPolarHBondContact O-CB 3.42Å; G141-L145 PolarHBondContact O-N 3.14Å
142	G	98.5	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68.8	-39.4	174.9	0	0	0	0	0	113.2	F94 L139 G140 A146	F94-G142 WeakPolarHBondContact CE1-O 3.37Å; L139-G142 WeakPolarHBondContact O-CA 3.45Å; L139-G142 PolarHBondContact O-N 2.84Å; G140-G142 PolarHBondContact O-N 2.85Å; G142-A146 PolarHBondContact O-N 3.45Å; G142-A146 VanDerWaalsContact O-N 3.15Å
143	C	98.7	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-40.4	171.4	-164.8	0	0	0	0	110.9	A138 G140 A146 M147	A138-C143 WeakPolarHBondContact O-CB 3.27Å; G140-C143 WeakPolarHBondContact O-CA 3.33Å; G140-C143 WeakPolarHBondContact O-CB 3.2Å; G140-C143 PolarHBondContact O-N 2.94Å; C143-A146 PolarHBondContact O-N 3.41Å; C143-M147 WeakPolarHBondContact O-CG 3.42Å; C143-M147 PolarHBondContact O-N 3.07Å
144	E	98.5	Very high	98.6	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.033	7%	0.067	C	C	.	.	H	α-helix	trans	-62.8	-42.8	177.1	-63.6	177.8	115.6	0	0	111.8	G140 G141 M147 M148 P171 G172 A173 G174 G175	G140-E144 WeakPolarHBondContact O-CG 3.39Å; G140-E144 PolarHBondContact O-N 2.88Å; G141-E144 VanDerWaalsContact CA-OE2 3.28Å; G141-E144 WeakPolarHBondContact CA-OE2 3.46Å; G141-E144 PolarHBondContact N-OE2 2.84Å; G141-E144 PolarHBondContact O-N 2.81Å; E144-M147 HydrophobicContact CG-CE 4.21Å; E144-M147 CarbonylContact O-C 3.53Å; E144-M147 PolarHBondContact O-N 3.38Å; E144-M148 WeakPolarHBondContact O-CG 3.49Å; E144-M148 PolarHBondContact O-N 2.87Å; E144-P171 WeakPolarHBondContact OE1-CB 3.34Å; E144-G172 PolarHBondContact OE1-N 2.85Å; E144-A173 HydrophobicContact CB-CB 4.03Å; E144-A173 HydrophobicContact CG-CB 4.42Å; E144-A173 VanDerWaalsContact OE1-CA 3.28Å; E144-A173 WeakPolarHBondContact OE1-CA 3.27Å; E144-A173 PolarHBondContact OE1-N 3.25Å; E144-A173 WeakPolarHBondContact OE2-CB 3.49Å; E144-A173 PolarHBondContact OE2-N 3.06Å; E144-G174 PolarHBondContact OE1-N 3.29Å; E144-G174 VanDerWaalsContact OE1-N 3.12Å; E144-G175 VanDerWaalsContact OE1-CA 3.28Å; E144-G175 WeakPolarHBondContact OE1-CA 3.38Å; E144-G175 PolarHBondContact OE1-N 2.85Å
145	L	98.6	Very high	98.6	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-60.6	-44	173.5	172.8	60	0	0	0	111.8	L52 L61 L69 F94 W120 V123 G141 M147 M148	L52-L145 HydrophobicContact CD1-CD2 4.05Å; L61-L145 HydrophobicContact CD2-CD2 4.44Å; L69-L145 HydrophobicContact CD2-CD1 3.75Å; L69-L145 HydrophobicContact CD2-CD2 3.82Å; L69-L145 HydrophobicContact CD2-CG 4.47Å; F94-L145 HydrophobicContact CE1-CB 4.27Å; F94-L145 HydrophobicContact CE1-CD2 3.93Å; F94-L145 HydrophobicContact CE1-CG 3.99Å; F94-L145 HydrophobicContact CZ-CD2 4.06Å; F94-L145 HydrophobicContact CZ-CG 4.1Å; W120-L145 HydrophobicContact CZ3-CB 4.4Å; V123-L145 HydrophobicContact CB-CD1 4.28Å; V123-L145 HydrophobicContact CG1-CD1 4.18Å; V123-L145 HydrophobicContact CG2-CD1 3.78Å; G141-L145 WeakPolarHBondContact O-CB 3.42Å; G141-L145 PolarHBondContact O-N 3.14Å; L145-M147 VanDerWaalsContact C-N 3.29Å; L145-M147 PolarHBondContact O-N 3.36Å; L145-M148 WeakPolarHBondContact O-CB 3.49Å; L145-M148 PolarHBondContact O-N 3.13Å; L145-M148 VanDerWaalsContact O-N 3.14Å
146	A	98.8	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-40.4	175.2	0	0	0	0	0	111.4	F94 A132 V134 G142 C143 M148 C149 I152	F94-A146 HydrophobicContact CE1-CB 4.01Å; F94-A146 HydrophobicContact CZ-CB 4.42Å; A132-A146 HydrophobicContact CB-CB 4.11Å; V134-A146 HydrophobicContact CG2-CB 4.12Å; G142-A146 PolarHBondContact O-N 3.45Å; G142-A146 VanDerWaalsContact O-N 3.15Å; C143-A146 PolarHBondContact O-N 3.41Å; A146-M148 VanDerWaalsContact C-N 3.28Å; A146-M148 PolarHBondContact O-N 3.47Å; A146-C149 WeakPolarHBondContact O-CB 3.36Å; A146-C149 PolarHBondContact O-N 3.39Å; A146-I152 HydrophobicContact CB-CD1 3.84Å; A146-I152 HydrophobicContact CB-CG1 4.31Å; A146-I152 WeakPolarHBondContact O-CG1 3.36Å
147	M	98.5	Very high	98.6	Very high	20 Å²	20	22.4 Å²	22.4	10%	0.099	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-14.8	175.7	-71.6	-173	-66.5	0	0	114.7	C143 E144 L145 C149 I152 R178 L179 L208	C143-M147 WeakPolarHBondContact O-CG 3.42Å; C143-M147 PolarHBondContact O-N 3.07Å; E144-M147 HydrophobicContact CG-CE 4.21Å; E144-M147 CarbonylContact O-C 3.53Å; E144-M147 PolarHBondContact O-N 3.38Å; L145-M147 VanDerWaalsContact C-N 3.29Å; L145-M147 PolarHBondContact O-N 3.36Å; M147-C149 VanDerWaalsContact C-N 3.32Å; M147-I152 HydrophobicContact CG-CD1 4.45Å; M147-R178 HydrophobicContact CB-CB 4.24Å; M147-R178 HydrophobicContact SD-CB 4.18Å; M147-L179 HydrophobicContact CE-CB 4.21Å; M147-L179 HydrophobicContact SD-CB 3.84Å; M147-L179 HydrophobicContact SD-CD1 4.11Å; M147-L208 HydrophobicContact CG-CD1 3.62Å; M147-L208 HydrophobicContact SD-CD1 3.85Å
148	M	97.9	Very high	98.6	Very high	11 Å²	11	18.7 Å²	18.7	5%	0.054	9%	0.094	C	C	.	.	H	α-helix	trans	-78.8	-19.1	171.2	-70.4	175.9	-171.3	0	0	112.5	W120 V123 A124 E144 L145 A146 A173	W120-M148 HydrophobicContact CB-CE 3.96Å; W120-M148 HydrophobicContact CB-SD 4.25Å; W120-M148 HydrophobicContact CE3-CE 4.05Å; V123-M148 HydrophobicContact CB-CB 4.22Å; V123-M148 HydrophobicContact CG1-CB 3.84Å; A124-M148 HydrophobicContact CB-CB 4.22Å; A124-M148 HydrophobicContact CB-CG 4.23Å; E144-M148 WeakPolarHBondContact O-CG 3.49Å; E144-M148 PolarHBondContact O-N 2.87Å; L145-M148 WeakPolarHBondContact O-CB 3.49Å; L145-M148 PolarHBondContact O-N 3.13Å; L145-M148 VanDerWaalsContact O-N 3.14Å; A146-M148 VanDerWaalsContact C-N 3.28Å; A146-M148 PolarHBondContact O-N 3.47Å; M148-A173 HydrophobicContact CE-CB 3.84Å; M148-A173 WeakPolarHBondContact CE-O 3.36Å
149	C	98.6	Very high	98.6	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.074	11%	0.108	C	C	.	.	S	Bend	trans	-72.4	161	172.3	-58.8	0	0	0	0	110.4	V130 A132 A146 M147 F151	V130-C149 HydrophobicContact CB-CB 4.49Å; V130-C149 HydrophobicContact CG1-CB 4.25Å; A132-C149 HydrophobicContact CB-CB 3.94Å; A146-C149 WeakPolarHBondContact O-CB 3.36Å; A146-C149 PolarHBondContact O-N 3.39Å; M147-C149 VanDerWaalsContact C-N 3.32Å; C149-F151 VanDerWaalsContact C-N 3.34Å; C149-F151 PolarHBondContact O-N 2.92Å
150	D	98.6	Very high	98.6	Very high	56 Å²	56	21 Å²	21	30%	0.299	10%	0.104	S	C	.	.	S	Bend	trans	-70.7	-32.6	-176.8	-63	-64	0	0	0	112.7	P129 V130 K241	P129-D150 VanDerWaalsContact CA-OD2 3.25Å; P129-D150 WeakPolarHBondContact CA-OD2 3.43Å; V130-D150 PolarHBondContact N-OD2 2.76Å; V130-D150 WeakPolarHBondContact O-CB 3.42Å; V130-D150 PolarHBondContact O-N 3.06Å; D150-K241 VanDerWaalsContact CG-NZ 3.31Å; D150-K241 VanDerWaalsContact OD1-CD 3.24Å; D150-K241 WeakPolarHBondContact OD1-CD 3.49Å; D150-K241 WeakPolarHBondContact OD1-CE 3.38Å; D150-K241 IonicContact OD1-NZ 3.72Å; D150-K241 PolarHBondContact OD1-NZ 2.93Å; D150-K241 VanDerWaalsContact OD1-NZ 3.13Å; D150-K241 WeakPolarHBondContact OD2-CD 3.43Å; D150-K241 WeakPolarHBondContact OD2-CE 3.46Å; D150-K241 IonicContact OD2-NZ 3.92Å; D150-K241 PolarHBondContact OD2-NZ 3.12Å
151	F	98.7	Very high	98.6	Very high	57 Å²	57	20.9 Å²	20.9	25%	0.25	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	159.8	169.5	56.3	-88.2	0	0	0	111.1	I131 A132 C149 Y153 T225 I229	I131-F151 HydrophobicContact CB-CE2 4.22Å; I131-F151 HydrophobicContact CB-CZ 4.4Å; I131-F151 HydrophobicContact CD1-CE1 4.28Å; I131-F151 HydrophobicContact CD1-CE2 3.66Å; I131-F151 HydrophobicContact CD1-CZ 3.35Å; I131-F151 HydrophobicContact CG1-CD2 4.47Å; I131-F151 HydrophobicContact CG1-CE1 3.95Å; I131-F151 HydrophobicContact CG1-CE2 3.71Å; I131-F151 HydrophobicContact CG1-CZ 3.42Å; I131-F151 VanDerWaalsContact CG1-CZ 3.42Å; I131-F151 HydrophobicContact CG2-CD2 3.87Å; I131-F151 HydrophobicContact CG2-CE2 3.56Å; I131-F151 HydrophobicContact CG2-CZ 4.22Å; A132-F151 PolarHBondContact N-O 2.78Å; C149-F151 VanDerWaalsContact C-N 3.34Å; C149-F151 PolarHBondContact O-N 2.92Å; F151-Y153 HydrophobicContact CD2-CD1 4.05Å; F151-Y153 AromaticContact CD2-CE1 3.77Å; F151-Y153 HydrophobicContact CD2-CE1 3.77Å; F151-Y153 HydrophobicContact CE2-CD1 4.28Å; F151-Y153 AromaticContact CE2-CE1 3.79Å; F151-Y153 HydrophobicContact CE2-CE1 3.79Å; F151-Y153 HydrophobicContact CE2-CE2 4.32Å; F151-Y153 AromaticContact CE2-CZ 3.81Å; F151-T225 HydrophobicContact CE2-CG2 4.25Å; F151-T225 HydrophobicContact CZ-CG2 3.99Å; F151-I229 HydrophobicContact CE1-CD1 4.23Å; F151-I229 HydrophobicContact CZ-CD1 4.07Å
152	I	98.9	Very high	98.7	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.031	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.1	-175.2	-54	173.1	0	0	0	109.4	A132 V134 A146 M147 F160 L208 V209 S210	A132-I152 HydrophobicContact CB-CB 4.45Å; A132-I152 HydrophobicContact CB-CG1 4.12Å; A132-I152 HydrophobicContact CB-CG2 4.28Å; V134-I152 HydrophobicContact CB-CG2 4.4Å; V134-I152 HydrophobicContact CG2-CG2 3.78Å; A146-I152 HydrophobicContact CB-CD1 3.84Å; A146-I152 HydrophobicContact CB-CG1 4.31Å; A146-I152 WeakPolarHBondContact O-CG1 3.36Å; M147-I152 HydrophobicContact CG-CD1 4.45Å; I152-F160 HydrophobicContact CD1-CE1 4.49Å; I152-F160 HydrophobicContact CG2-CE1 4.02Å; I152-F160 HydrophobicContact CG2-CZ 3.92Å; I152-L208 HydrophobicContact CD1-CD1 4.03Å; I152-L208 HydrophobicContact CD1-CG 4.24Å; I152-V209 HydrophobicContact CB-CG2 4.39Å; I152-V209 HydrophobicContact CG2-CG2 3.99Å; I152-S210 PolarHBondContact O-N 3.18Å
153	Y	98.9	Very high	98.7	Very high	8 Å²	8	22.2 Å²	22.2	3%	0.031	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.1	161.1	-73.8	-5.2	0	0	0	109	A132 A133 V134 F151 K211 F213 A222 T225	A132-Y153 PolarHBondContact O-N 2.86Å; A133-Y153 WeakPolarHBondContact CA-O 3.46Å; V134-Y153 PolarHBondContact N-O 2.84Å; F151-Y153 HydrophobicContact CD2-CD1 4.05Å; F151-Y153 AromaticContact CD2-CE1 3.77Å; F151-Y153 HydrophobicContact CD2-CE1 3.77Å; F151-Y153 HydrophobicContact CE2-CD1 4.28Å; F151-Y153 AromaticContact CE2-CE1 3.79Å; F151-Y153 HydrophobicContact CE2-CE1 3.79Å; F151-Y153 HydrophobicContact CE2-CE2 4.32Å; F151-Y153 AromaticContact CE2-CZ 3.81Å; Y153-K211 WeakPolarHBondContact CA-O 3.34Å; Y153-K211 HydrophobicContact CD1-CB 3.82Å; Y153-K211 HydrophobicContact CD1-CG 4.35Å; Y153-K211 HydrophobicContact CE1-CB 3.81Å; Y153-K211 HydrophobicContact CE1-CD 3.91Å; Y153-K211 HydrophobicContact CE1-CG 3.83Å; Y153-K211 HydrophobicContact CG-CB 4.49Å; Y153-F213 HydrophobicContact CD1-CE2 4.19Å; Y153-F213 HydrophobicContact CD2-CD2 4.4Å; Y153-F213 AromaticContact CD2-CE2 3.49Å; Y153-F213 HydrophobicContact CD2-CE2 3.49Å; Y153-F213 VanDerWaalsContact CD2-CE2 3.49Å; Y153-F213 HydrophobicContact CD2-CZ 4.17Å; Y153-F213 AromaticContact CE2-CE2 3.87Å; Y153-F213 HydrophobicContact CE2-CE2 3.87Å; Y153-F213 HydrophobicContact CE2-CZ 4.09Å; Y153-F213 HydrophobicContact CG-CD2 4.42Å; Y153-F213 AromaticContact CG-CE2 3.67Å; Y153-F213 HydrophobicContact CG-CE2 3.67Å; Y153-A222 HydrophobicContact CD2-CB 4.18Å; Y153-T225 HydrophobicContact CE2-CG2 4.29Å; Y153-T225 WeakPolarHBondContact CE2-OG1 3.43Å
154	A	98.9	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.7	-177.1	0	0	0	0	0	111.3	V134 A158 F160 A200 V209 K211 V212 F213 V218	V134-A154 CarbonylContact O-C 3.54Å; V134-A154 WeakPolarHBondContact O-CA 3.32Å; A154-A158 HydrophobicContact CB-CB 3.9Å; A154-F160 HydrophobicContact CB-CE2 4.1Å; A154-F160 HydrophobicContact CB-CZ 4.13Å; A154-A200 HydrophobicContact CB-CB 4Å; A154-V209 HydrophobicContact CB-CG1 3.71Å; A154-V209 HydrophobicContact CB-CG2 4.05Å; A154-K211 PolarHBondContact N-O 3.16Å; A154-V212 HydrophobicContact CB-CG2 4.42Å; A154-V212 CarbonylContact O-C 3.58Å; A154-V212 VanDerWaalsContact O-CA 3.27Å; A154-V212 WeakPolarHBondContact O-CA 3.21Å; A154-F213 PolarHBondContact O-N 3.04Å; A154-V218 VanDerWaalsContact C-CG2 3.44Å
155	G	98.9	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	154.1	158.3	0	0	0	0	0	110.3	V134 N135 N157 A158 A200 F213	V134-G155 PolarHBondContact O-N 3.06Å; N135-G155 WeakPolarHBondContact OD1-CA 3.35Å; G155-N157 PolarHBondContact O-N 2.93Å; G155-N157 VanDerWaalsContact O-N 3.12Å; G155-A158 WeakPolarHBondContact O-CB 3.35Å; G155-A158 PolarHBondContact O-N 3.48Å; G155-A200 WeakPolarHBondContact O-CB 3.38Å; G155-F213 CarbonylContact C-O 3.56Å; G155-F213 VanDerWaalsContact CA-O 3.25Å; G155-F213 WeakPolarHBondContact CA-O 3.43Å
156	E	98.8	Very high	98.6	Very high	129 Å²	129	29.8 Å²	29.8	60%	0.603	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.4	176.2	-76.4	164.4	-179.1	0	0	113.2	A158 V212 F213 S215	E156-A158 VanDerWaalsContact C-N 3.3Å; E156-A158 PolarHBondContact O-N 3.24Å; E156-V212 HydrophobicContact CG-CG1 3.98Å; E156-F213 PolarHBondContact N-O 3.14Å; E156-S215 PolarHBondContact N-OG 3.19Å
157	N	98.6	Very high	98.5	Very high	63 Å²	63	34.4 Å²	34.4	34%	0.337	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.4	177.9	76.9	-16.7	0	0	0	115	Q91 N135 G136 G155 S215	Q91-N157 PolarHBondContact O-ND2 3.4Å; N135-N157 PolarHBondContact OD1-OD1 3.46Å; G136-N157 WeakPolarHBondContact CA-O 3.46Å; G136-N157 PolarHBondContact N-OD1 2.97Å; G155-N157 PolarHBondContact O-N 2.93Å; G155-N157 VanDerWaalsContact O-N 3.12Å; N157-S215 WeakPolarHBondContact CB-OG 3.47Å; N157-S215 PolarHBondContact N-OG 3.42Å; N157-S215 VanDerWaalsContact N-OG 3.13Å; N157-S215 PolarHBondContact OD1-OG 2.97Å
158	A	98.9	Very high	98.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	21%	0.214	C	C	.	.			trans	-68	141.3	-176.9	0	0	0	0	0	111.7	V134 G136 A154 G155 E156 F160 S199 A200	V134-A158 HydrophobicContact CG1-CB 3.94Å; G136-A158 CarbonylContact O-C 3.56Å; G136-A158 VanDerWaalsContact O-CA 3.27Å; G136-A158 WeakPolarHBondContact O-CA 2.91Å; A154-A158 HydrophobicContact CB-CB 3.9Å; G155-A158 WeakPolarHBondContact O-CB 3.35Å; G155-A158 PolarHBondContact O-N 3.48Å; E156-A158 VanDerWaalsContact C-N 3.3Å; E156-A158 PolarHBondContact O-N 3.24Å; A158-F160 HydrophobicContact CB-CE2 3.77Å; A158-F160 HydrophobicContact CB-CZ 4.22Å; A158-S199 CarbonylContact O-C 3.46Å; A158-A200 HydrophobicContact CB-CB 4.1Å; A158-A200 PolarHBondContact O-N 2.98Å
159	Q	98.8	Very high	98.3	Very high	64 Å²	64	40 Å²	40	30%	0.299	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.9	175.2	-73.4	-179.6	68.8	0	0	109.8	G136 Y137 A138 L198	G136-Q159 PolarHBondContact O-N 2.95Å; Y137-Q159 HydrophobicContact CD1-CB 4.03Å; Y137-Q159 HydrophobicContact CE1-CB 4.31Å; A138-Q159 PolarHBondContact N-O 3.43Å; Q159-L198 WeakPolarHBondContact CA-O 3.24Å
160	F	98.9	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.9	-178.6	-61.5	-92.6	0	0	0	109.5	V134 A138 I152 A154 A158 M191 R197 L198 A203 L208 V209	V134-F160 HydrophobicContact CB-CE1 4.2Å; V134-F160 HydrophobicContact CB-CZ 3.89Å; V134-F160 HydrophobicContact CG1-CE1 3.83Å; V134-F160 HydrophobicContact CG1-CE2 4.45Å; V134-F160 HydrophobicContact CG1-CZ 3.64Å; V134-F160 HydrophobicContact CG2-CE1 4.06Å; V134-F160 HydrophobicContact CG2-CZ 4.19Å; A138-F160 HydrophobicContact CB-CD1 3.87Å; A138-F160 HydrophobicContact CB-CE1 4.03Å; A138-F160 WeakPolarHBondContact O-CA 2.97Å; I152-F160 HydrophobicContact CD1-CE1 4.49Å; I152-F160 HydrophobicContact CG2-CE1 4.02Å; I152-F160 HydrophobicContact CG2-CZ 3.92Å; A154-F160 HydrophobicContact CB-CE2 4.1Å; A154-F160 HydrophobicContact CB-CZ 4.13Å; A158-F160 HydrophobicContact CB-CE2 3.77Å; A158-F160 HydrophobicContact CB-CZ 4.22Å; F160-M191 VanDerWaalsContact C-CE 3.49Å; F160-M191 HydrophobicContact CB-CE 4.11Å; F160-R197 CarbonylContact O-C 3.52Å; F160-R197 WeakPolarHBondContact O-CA 3.48Å; F160-R197 WeakPolarHBondContact O-CB 3.39Å; F160-L198 PolarHBondContact N-O 3.24Å; F160-L198 PolarHBondContact O-N 3.11Å; F160-A203 HydrophobicContact CD2-CB 3.67Å; F160-A203 HydrophobicContact CE2-CB 4.08Å; F160-A203 HydrophobicContact CG-CB 4.35Å; F160-L208 HydrophobicContact CB-CD2 4.09Å; F160-L208 HydrophobicContact CD1-CD2 4.09Å; F160-L208 HydrophobicContact CG-CD2 4.09Å; F160-V209 HydrophobicContact CD2-CG2 4.4Å; F160-V209 HydrophobicContact CE1-CG2 4.36Å; F160-V209 HydrophobicContact CE2-CG2 3.63Å; F160-V209 HydrophobicContact CZ-CG2 3.6Å
161	G	98.6	Very high	98.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	154.1	-178.6	0	0	0	0	0	112.7	A138 L139 G140 P163 M191	A138-G161 PolarHBondContact O-N 3.5Å; A138-G161 VanDerWaalsContact O-N 3.16Å; L139-G161 CarbonylContact C-O 3.57Å; L139-G161 WeakPolarHBondContact CA-O 3.4Å; G140-G161 PolarHBondContact N-O 3.43Å; G161-P163 VanDerWaalsContact C-CD 3.45Å; G161-P163 WeakPolarHBondContact O-CD 3.44Å; G161-M191 VanDerWaalsContact C-CE 3.48Å; G161-M191 VanDerWaalsContact N-CE 3.28Å
162	Q	98.7	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.255	C	S	.	.			trans	-118.5	72.1	169.1	-62.6	-62.2	38.8	0	0	109.7	G140 E164 P171 L179 M191 V192	G140-Q162 PolarHBondContact O-OE1 2.99Å; Q162-E164 WeakPolarHBondContact CA-OE2 3.43Å; Q162-E164 PolarHBondContact O-N 3.27Å; Q162-P171 HydrophobicContact CB-CG 3.95Å; Q162-P171 HydrophobicContact CG-CG 4.22Å; Q162-L179 HydrophobicContact CG-CD2 3.91Å; Q162-M191 HydrophobicContact CG-CE 4.1Å; Q162-V192 HydrophobicContact CB-CG2 3.99Å; Q162-V192 HydrophobicContact CG-CG2 4.08Å
163	P	98.3	Very high	97.9	Very high	32 Å²	32	42.1 Å²	42.1	21%	0.208	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-79.2	6.9	-171.5	36.3	-37.5	0	0	0	114	L139 G161 V165 T166	L139-P163 HydrophobicContact CB-CG 4.18Å; G161-P163 VanDerWaalsContact C-CD 3.45Å; G161-P163 WeakPolarHBondContact O-CD 3.44Å; P163-V165 PolarHBondContact O-N 2.98Å; P163-T166 WeakPolarHBondContact O-CB 3.45Å; P163-T166 WeakPolarHBondContact O-CG2 3.34Å; P163-T166 PolarHBondContact O-N 2.67Å; P163-T166 PolarHBondContact O-OG1 2.85Å
164	E	98.4	Very high	97.8	Very high	19 Å²	19	42.5 Å²	42.5	9%	0.089	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-53.6	-32	-173.5	-74.4	89.7	154.3	0	0	113.9	G140 Q162 T166 I167 G168 T169 P171	G140-E164 VanDerWaalsContact CA-CD 3.48Å; G140-E164 WeakPolarHBondContact CA-OE1 3.33Å; Q162-E164 WeakPolarHBondContact CA-OE2 3.43Å; Q162-E164 PolarHBondContact O-N 3.27Å; E164-T166 PolarHBondContact O-N 2.84Å; E164-I167 WeakPolarHBondContact O-CG1 3.39Å; E164-I167 PolarHBondContact O-N 2.72Å; E164-I167 VanDerWaalsContact O-N 3.07Å; E164-G168 PolarHBondContact O-N 3.25Å; E164-T169 CarbonylContact C-O 3.13Å; E164-T169 HydrophobicContact CB-CG2 3.83Å; E164-T169 HydrophobicContact CG-CG2 4.15Å; E164-T169 PolarHBondContact O-N 3.19Å; E164-T169 VanDerWaalsContact O-N 3.15Å; E164-T169 VanDerWaalsContact O-O 3.07Å; E164-P171 HydrophobicContact CB-CG 4.49Å; E164-P171 HydrophobicContact CG-CG 4.44Å
165	V	98.2	Very high	97.7	Very high	50 Å²	50	42.5 Å²	42.5	30%	0.303	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-61	-27.7	176.1	-68.6	0	0	0	0	112.9	P163 I167 G168 T169 V192	P163-V165 PolarHBondContact O-N 2.98Å; V165-I167 PolarHBondContact O-N 3.13Å; V165-G168 PolarHBondContact O-N 2.82Å; V165-T169 WeakPolarHBondContact CA-O 3.4Å; V165-T169 PolarHBondContact N-O 2.9Å; V165-V192 WeakPolarHBondContact CG1-O 3.36Å; V165-V192 VanDerWaalsContact CG2-O 3.27Å; V165-V192 WeakPolarHBondContact CG2-O 3.22Å
166	T	97.6	Very high	97.7	Very high	98 Å²	98	44.7 Å²	44.7	60%	0.601	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-74.1	-11.8	179	76.3	0	0	0	0	112.8	P163 E164	P163-T166 WeakPolarHBondContact O-CB 3.45Å; P163-T166 WeakPolarHBondContact O-CG2 3.34Å; P163-T166 PolarHBondContact O-N 2.67Å; P163-T166 PolarHBondContact O-OG1 2.85Å; E164-T166 PolarHBondContact O-N 2.84Å
167	I	96.4	Very high	97.7	Very high	98 Å²	98	43.5 Å²	43.5	50%	0.503	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-118	18.6	176.4	61.4	168.3	0	0	0	112.1	I100 E164 V165 T169	I100-I167 HydrophobicContact CD1-CD1 3.51Å; I100-I167 HydrophobicContact CG1-CD1 4.43Å; E164-I167 WeakPolarHBondContact O-CG1 3.39Å; E164-I167 PolarHBondContact O-N 2.72Å; E164-I167 VanDerWaalsContact O-N 3.07Å; V165-I167 PolarHBondContact O-N 3.13Å; I167-T169 HydrophobicContact CD1-CG2 4.17Å; I167-T169 HydrophobicContact CG1-CG2 4.04Å
168	G	96.3	Very high	97.6	Very high	77 Å²	77	43.5 Å²	43.5	79%	0.794	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	23.6	172.8	0	0	0	0	0	115	E164 V165	E164-G168 PolarHBondContact O-N 3.25Å; V165-G168 PolarHBondContact O-N 2.82Å
169	T	96.4	Very high	97.6	Very high	70 Å²	70	43.5 Å²	43.5	43%	0.429	27%	0.267	S	S	.	.			trans	-135.3	-173	174.9	-164.2	0	0	0	0	111.3	E164 V165 I167	E164-T169 CarbonylContact C-O 3.13Å; E164-T169 HydrophobicContact CB-CG2 3.83Å; E164-T169 HydrophobicContact CG-CG2 4.15Å; E164-T169 PolarHBondContact O-N 3.19Å; E164-T169 VanDerWaalsContact O-N 3.15Å; E164-T169 VanDerWaalsContact O-O 3.07Å; V165-T169 WeakPolarHBondContact CA-O 3.4Å; V165-T169 PolarHBondContact N-O 2.9Å; I167-T169 HydrophobicContact CD1-CG2 4.17Å; I167-T169 HydrophobicContact CG1-CG2 4.04Å
170	I	97.7	Very high	97.6	Very high	112 Å²	112	43.5 Å²	43.5	57%	0.574	27%	0.268	S	S	*	.			trans	-126.8	161.6	176.7	60	163.7	0	0	0	110.1	G172	I170-G172 PolarHBondContact O-N 3.34Å
171	P	97.8	Very high	97.5	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.032	29%	0.29	C	S	.	.			trans	-58.1	128.6	171.7	-20.9	31	0	0	0	111.2	E144 Q162 E164 T176 V192	E144-P171 WeakPolarHBondContact OE1-CB 3.34Å; Q162-P171 HydrophobicContact CB-CG 3.95Å; Q162-P171 HydrophobicContact CG-CG 4.22Å; E164-P171 HydrophobicContact CB-CG 4.49Å; E164-P171 HydrophobicContact CG-CG 4.44Å; P171-T176 HydrophobicContact CB-CG2 4.2Å; P171-T176 HydrophobicContact CG-CG2 4.08Å; P171-V192 HydrophobicContact CG-CG1 4.44Å; P171-V192 HydrophobicContact CG-CG2 4.49Å
172	G	95.6	Very high	97.4	Very high	50 Å²	50	51.5 Å²	51.5	52%	0.515	31%	0.305	S	S	.	.			trans	-109.5	-24.7	-173.9	0	0	0	0	0	114.4	L117 E144 I170 G174	L117-G172 WeakPolarHBondContact CD1-O 3.48Å; E144-G172 PolarHBondContact OE1-N 2.85Å; I170-G172 PolarHBondContact O-N 3.34Å; G172-G174 VanDerWaalsContact C-N 3.29Å; G172-G174 PolarHBondContact O-N 3.41Å
173	A	96.3	Very high	97.4	Very high	9 Å²	9	52.3 Å²	52.3	7%	0.074	31%	0.309	C	S	.	.	S	Bend	trans	-94.7	29.9	-177.4	0	0	0	0	0	112.7	L117 W120 E144 M148 R178	L117-A173 HydrophobicContact CD2-CB 4.12Å; W120-A173 HydrophobicContact CD2-CB 4.33Å; W120-A173 HydrophobicContact CE3-CB 4.02Å; W120-A173 HydrophobicContact CZ3-CB 4.26Å; E144-A173 HydrophobicContact CB-CB 4.03Å; E144-A173 HydrophobicContact CG-CB 4.42Å; E144-A173 VanDerWaalsContact OE1-CA 3.28Å; E144-A173 WeakPolarHBondContact OE1-CA 3.27Å; E144-A173 PolarHBondContact OE1-N 3.25Å; E144-A173 WeakPolarHBondContact OE2-CB 3.49Å; E144-A173 PolarHBondContact OE2-N 3.06Å; M148-A173 HydrophobicContact CE-CB 3.84Å; M148-A173 WeakPolarHBondContact CE-O 3.36Å; A173-R178 PolarHBondContact O-NH1 2.99Å
174	G	95.7	Very high	97.4	Very high	16 Å²	16	52.4 Å²	52.4	17%	0.165	32%	0.316	C	S	.	.	S	Bend	trans	97.6	10.2	176	0	0	0	0	0	115.1	E144 G172 T176 Q177 R178	E144-G174 PolarHBondContact OE1-N 3.29Å; E144-G174 VanDerWaalsContact OE1-N 3.12Å; G172-G174 VanDerWaalsContact C-N 3.29Å; G172-G174 PolarHBondContact O-N 3.41Å; G174-T176 VanDerWaalsContact C-N 3.31Å; G174-T176 PolarHBondContact O-N 3.14Å; G174-Q177 PolarHBondContact O-N 3.48Å; G174-R178 WeakPolarHBondContact O-CB 3.5Å; G174-R178 PolarHBondContact O-N 3.32Å
175	G	97.7	Very high	97.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.6	-178.5	0	0	0	0	0	114.7	E144 Q177 L179	E144-G175 VanDerWaalsContact OE1-CA 3.28Å; E144-G175 WeakPolarHBondContact OE1-CA 3.38Å; E144-G175 PolarHBondContact OE1-N 2.85Å; G175-Q177 VanDerWaalsContact C-N 3.32Å; G175-L179 WeakPolarHBondContact O-CB 3.3Å
176	T	98.1	Very high	97.4	Very high	45 Å²	45	61.1 Å²	61.1	28%	0.276	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.8	171.7	58.6	0	0	0	0	112.9	P171 G174 I180 V192	P171-T176 HydrophobicContact CB-CG2 4.2Å; P171-T176 HydrophobicContact CG-CG2 4.08Å; G174-T176 VanDerWaalsContact C-N 3.31Å; G174-T176 PolarHBondContact O-N 3.14Å; T176-I180 WeakPolarHBondContact O-CG2 3.47Å; T176-V192 HydrophobicContact CG2-CG1 4.33Å
177	Q	98	Very high	97.5	Very high	105 Å²	105	58.7 Å²	58.7	49%	0.491	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-44.3	-168.1	-59.6	-53.9	-49.3	0	0	113.7	G174 G175 R181	G174-Q177 PolarHBondContact O-N 3.48Å; G175-Q177 VanDerWaalsContact C-N 3.32Å; Q177-R181 WeakPolarHBondContact O-CD 3.4Å; Q177-R181 WeakPolarHBondContact O-CG 3.2Å; Q177-R181 PolarHBondContact O-NH1 2.84Å
178	R	97.8	Very high	97.6	Very high	63 Å²	63	54.2 Å²	54.2	24%	0.238	33%	0.325	C	S	.	.	H	α-helix	trans	-80.1	-37.2	178.6	-64.7	-171.9	-177.5	98.4	0.6	111.6	M147 A173 G174 R181 S182	M147-R178 HydrophobicContact CB-CB 4.24Å; M147-R178 HydrophobicContact SD-CB 4.18Å; A173-R178 PolarHBondContact O-NH1 2.99Å; G174-R178 WeakPolarHBondContact O-CB 3.5Å; G174-R178 PolarHBondContact O-N 3.32Å; R178-R181 PolarHBondContact O-N 3.32Å; R178-S182 PolarHBondContact O-N 3.04Å; R178-S182 VanDerWaalsContact O-N 3.15Å; R178-S182 PolarHBondContact O-OG 2.81Å
179	L	98.5	Very high	97.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-53.4	179.1	-177.9	62.8	0	0	0	111.2	M147 Q162 G175 R181 S182 V183 A188 M191 V192 L208	M147-L179 HydrophobicContact CE-CB 4.21Å; M147-L179 HydrophobicContact SD-CB 3.84Å; M147-L179 HydrophobicContact SD-CD1 4.11Å; Q162-L179 HydrophobicContact CG-CD2 3.91Å; G175-L179 WeakPolarHBondContact O-CB 3.3Å; L179-R181 PolarHBondContact O-N 3.34Å; L179-S182 WeakPolarHBondContact O-CA 3.38Å; L179-S182 WeakPolarHBondContact O-CB 3.41Å; L179-S182 PolarHBondContact O-N 3.3Å; L179-V183 HydrophobicContact CD1-CG1 4.12Å; L179-V183 HydrophobicContact CD1-CG2 3.8Å; L179-V183 HydrophobicContact CG-CG2 3.93Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.31Å; L179-A188 HydrophobicContact CB-CB 4.48Å; L179-A188 HydrophobicContact CD2-CB 4.03Å; L179-A188 HydrophobicContact CG-CB 3.83Å; L179-M191 HydrophobicContact CD1-CE 4.37Å; L179-M191 HydrophobicContact CD1-SD 3.81Å; L179-M191 HydrophobicContact CD2-CB 4.31Å; L179-M191 HydrophobicContact CD2-CE 4.32Å; L179-M191 HydrophobicContact CD2-CG 4.22Å; L179-M191 HydrophobicContact CD2-SD 3.5Å; L179-M191 WeakPolarHBondContact CD2-SD 3.5Å; L179-M191 HydrophobicContact CG-SD 4.26Å; L179-V192 HydrophobicContact CD2-CG2 3.93Å; L179-L208 HydrophobicContact CD1-CD1 4.45Å; L179-L208 HydrophobicContact CD1-CD2 4.27Å
180	I	98.2	Very high	97.8	Very high	63 Å²	63	55 Å²	55	32%	0.323	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-30.2	-178.4	-165.8	165.9	0	0	0	113.2	T176 S182 G184 K185 A188	T176-I180 WeakPolarHBondContact O-CG2 3.47Å; I180-S182 VanDerWaalsContact C-N 3.29Å; I180-G184 VanDerWaalsContact O-CA 3.26Å; I180-G184 WeakPolarHBondContact O-CA 3.3Å; I180-G184 PolarHBondContact O-N 3.07Å; I180-K185 HydrophobicContact CD1-CB 4.41Å; I180-A188 VanDerWaalsContact CA-CB 3.5Å; I180-A188 HydrophobicContact CB-CB 3.73Å; I180-A188 HydrophobicContact CG1-CB 4.02Å
181	R	97.4	Very high	97.8	Very high	125 Å²	125	49.9 Å²	49.9	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-72.6	-20.5	173.1	-78.2	174.1	171.5	79.1	-2.7	113.5	Q177 R178 L179 Y248	Q177-R181 WeakPolarHBondContact O-CD 3.4Å; Q177-R181 WeakPolarHBondContact O-CG 3.2Å; Q177-R181 PolarHBondContact O-NH1 2.84Å; R178-R181 PolarHBondContact O-N 3.32Å; L179-R181 PolarHBondContact O-N 3.34Å; R181-Y248 HydrophobicContact CB-CD1 3.95Å; R181-Y248 HydrophobicContact CB-CE1 3.79Å; R181-Y248 HydrophobicContact CG-CD1 4.08Å; R181-Y248 HydrophobicContact CG-CE1 4.35Å
182	S	97.5	Very high	97.9	Very high	44 Å²	44	50.5 Å²	50.5	31%	0.308	29%	0.285	S	S	.	.	H	α-helix	trans	-95.2	-46.4	-179.6	-52.6	0	0	0	0	112	R178 L179 I180	R178-S182 PolarHBondContact O-N 3.04Å; R178-S182 VanDerWaalsContact O-N 3.15Å; R178-S182 PolarHBondContact O-OG 2.81Å; L179-S182 WeakPolarHBondContact O-CA 3.38Å; L179-S182 WeakPolarHBondContact O-CB 3.41Å; L179-S182 PolarHBondContact O-N 3.3Å; I180-S182 VanDerWaalsContact C-N 3.29Å
183	V	98.2	Very high	98	Very high	16 Å²	16	54.3 Å²	54.3	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-109.7	-1.7	-171.8	-53.9	0	0	0	0	115.2	L179 V187 A188 A206 L208	L179-V183 HydrophobicContact CD1-CG1 4.12Å; L179-V183 HydrophobicContact CD1-CG2 3.8Å; L179-V183 HydrophobicContact CG-CG2 3.93Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.31Å; V183-V187 HydrophobicContact CB-CB 4.05Å; V183-V187 HydrophobicContact CB-CG1 3.96Å; V183-V187 HydrophobicContact CG2-CB 3.79Å; V183-V187 HydrophobicContact CG2-CG1 3.76Å; V183-A188 HydrophobicContact CG2-CB 3.75Å; V183-A206 WeakPolarHBondContact CA-O 3.46Å; V183-A206 HydrophobicContact CB-CB 3.96Å; V183-A206 HydrophobicContact CG1-CB 3.74Å; V183-L208 HydrophobicContact CG1-CB 3.69Å
184	G	98.1	Very high	98.1	Very high	34 Å²	34	57 Å²	57	35%	0.351	31%	0.308	S	S	.	.			trans	76.6	174.4	-176	0	0	0	0	0	114	I180 A188	I180-G184 VanDerWaalsContact O-CA 3.26Å; I180-G184 WeakPolarHBondContact O-CA 3.3Å; I180-G184 PolarHBondContact O-N 3.07Å; G184-A188 VanDerWaalsContact O-CB 3.23Å; G184-A188 WeakPolarHBondContact O-CB 3.49Å; G184-A188 PolarHBondContact O-N 3.22Å
185	K	98.4	Very high	98.3	Very high	156 Å²	156	56.7 Å²	56.7	68%	0.678	31%	0.305	S	S	*	.	H	α-helix	trans	-58.2	-57.8	-169.1	179.7	-177.3	171.1	-175.9	0	113.3	I180 A188 S189	I180-K185 HydrophobicContact CD1-CB 4.41Å; K185-A188 PolarHBondContact O-N 2.89Å; K185-S189 VanDerWaalsContact O-CB 3.27Å; K185-S189 WeakPolarHBondContact O-CB 3.45Å; K185-S189 PolarHBondContact O-N 2.76Å; K185-S189 PolarHBondContact O-OG 3.28Å
186	S	98.5	Very high	98.3	Very high	96 Å²	96	61 Å²	61	67%	0.671	33%	0.328	S	S	*	.	H	α-helix	trans	-64.8	-48.7	-168.2	-55.6	0	0	0	0	112.3	A188 S189 E190	S186-A188 PolarHBondContact O-N 3.34Å; S186-S189 PolarHBondContact O-N 3.39Å; S186-E190 WeakPolarHBondContact O-CB 3.41Å; S186-E190 PolarHBondContact O-N 2.88Å
187	V	98.6	Very high	98.3	Very high	48 Å²	48	64.3 Å²	64.3	29%	0.291	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-45.6	179.8	-179.3	0	0	0	0	110.8	V183 E190 M191 L198 A206	V183-V187 HydrophobicContact CB-CB 4.05Å; V183-V187 HydrophobicContact CB-CG1 3.96Å; V183-V187 HydrophobicContact CG2-CB 3.79Å; V183-V187 HydrophobicContact CG2-CG1 3.76Å; V187-E190 PolarHBondContact O-N 3.33Å; V187-M191 VanDerWaalsContact O-CB 3.29Å; V187-M191 WeakPolarHBondContact O-CB 3.4Å; V187-M191 PolarHBondContact O-N 3.44Å; V187-L198 HydrophobicContact CG1-CD1 3.86Å; V187-L198 HydrophobicContact CG1-CD2 4.46Å; V187-A206 HydrophobicContact CG1-CB 4.23Å
188	A	98.7	Very high	98.3	Very high	4 Å²	4	60.6 Å²	60.6	3%	0.033	32%	0.319	C	S	.	.	H	α-helix	trans	-65.2	-43.6	179.2	0	0	0	0	0	112.4	L179 I180 V183 G184 K185 S186 V192	L179-A188 HydrophobicContact CB-CB 4.48Å; L179-A188 HydrophobicContact CD2-CB 4.03Å; L179-A188 HydrophobicContact CG-CB 3.83Å; I180-A188 VanDerWaalsContact CA-CB 3.5Å; I180-A188 HydrophobicContact CB-CB 3.73Å; I180-A188 HydrophobicContact CG1-CB 4.02Å; V183-A188 HydrophobicContact CG2-CB 3.75Å; G184-A188 VanDerWaalsContact O-CB 3.23Å; G184-A188 WeakPolarHBondContact O-CB 3.49Å; G184-A188 PolarHBondContact O-N 3.22Å; K185-A188 PolarHBondContact O-N 2.89Å; S186-A188 PolarHBondContact O-N 3.34Å; A188-V192 WeakPolarHBondContact O-CB 3.27Å; A188-V192 VanDerWaalsContact O-CG2 3.29Å; A188-V192 WeakPolarHBondContact O-CG2 3.48Å; A188-V192 PolarHBondContact O-N 2.77Å
189	S	98.6	Very high	98.4	Very high	43 Å²	43	59.7 Å²	59.7	30%	0.301	32%	0.323	S	S	.	.	H	α-helix	trans	-63.6	-44.1	177.5	-68.2	0	0	0	0	111.7	K185 S186 L193	K185-S189 VanDerWaalsContact O-CB 3.27Å; K185-S189 WeakPolarHBondContact O-CB 3.45Å; K185-S189 PolarHBondContact O-N 2.76Å; K185-S189 PolarHBondContact O-OG 3.28Å; S186-S189 PolarHBondContact O-N 3.39Å; S189-L193 WeakPolarHBondContact O-CB 3.4Å; S189-L193 WeakPolarHBondContact O-CG 3.5Å; S189-L193 PolarHBondContact O-N 3.41Å
190	E	98.6	Very high	98.4	Very high	119 Å²	119	59.7 Å²	59.7	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-60.5	-51.4	176.5	-177.5	175.9	-177.6	0	0	111	S186 V187 V192 L193 T194	S186-E190 WeakPolarHBondContact O-CB 3.41Å; S186-E190 PolarHBondContact O-N 2.88Å; V187-E190 PolarHBondContact O-N 3.33Å; E190-V192 PolarHBondContact O-N 3.32Å; E190-L193 PolarHBondContact O-N 2.91Å; E190-T194 HydrophobicContact CG-CG2 4.31Å; E190-T194 VanDerWaalsContact O-CB 3.32Å; E190-T194 WeakPolarHBondContact O-CB 3.49Å; E190-T194 WeakPolarHBondContact O-CG2 3.47Å; E190-T194 PolarHBondContact O-N 3.02Å; E190-T194 PolarHBondContact O-OG1 3.11Å
191	M	98.6	Very high	98.4	Very high	5 Å²	5	61 Å²	61	3%	0.025	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-44.5	-179.7	-174.2	-179.5	173.7	0	0	112.4	F160 G161 Q162 L179 V187 G195 L198	F160-M191 VanDerWaalsContact C-CE 3.49Å; F160-M191 HydrophobicContact CB-CE 4.11Å; G161-M191 VanDerWaalsContact C-CE 3.48Å; G161-M191 VanDerWaalsContact N-CE 3.28Å; Q162-M191 HydrophobicContact CG-CE 4.1Å; L179-M191 HydrophobicContact CD1-CE 4.37Å; L179-M191 HydrophobicContact CD1-SD 3.81Å; L179-M191 HydrophobicContact CD2-CB 4.31Å; L179-M191 HydrophobicContact CD2-CE 4.32Å; L179-M191 HydrophobicContact CD2-CG 4.22Å; L179-M191 HydrophobicContact CD2-SD 3.5Å; L179-M191 WeakPolarHBondContact CD2-SD 3.5Å; L179-M191 HydrophobicContact CG-SD 4.26Å; V187-M191 VanDerWaalsContact O-CB 3.29Å; V187-M191 WeakPolarHBondContact O-CB 3.4Å; V187-M191 PolarHBondContact O-N 3.44Å; M191-G195 VanDerWaalsContact O-CA 3.31Å; M191-G195 WeakPolarHBondContact O-CA 3.47Å; M191-G195 PolarHBondContact O-N 3.11Å; M191-L198 HydrophobicContact SD-CD1 4.22Å; M191-L198 HydrophobicContact SD-CG 4.37Å
192	V	98.7	Very high	98.5	Very high	18 Å²	18	59.5 Å²	59.5	11%	0.109	33%	0.327	C	S	.	.	H	α-helix	trans	-74.3	-40.3	-179.4	172.2	0	0	0	0	112.5	Q162 V165 P171 T176 L179 A188 E190	Q162-V192 HydrophobicContact CB-CG2 3.99Å; Q162-V192 HydrophobicContact CG-CG2 4.08Å; V165-V192 WeakPolarHBondContact CG1-O 3.36Å; V165-V192 VanDerWaalsContact CG2-O 3.27Å; V165-V192 WeakPolarHBondContact CG2-O 3.22Å; P171-V192 HydrophobicContact CG-CG1 4.44Å; P171-V192 HydrophobicContact CG-CG2 4.49Å; T176-V192 HydrophobicContact CG2-CG1 4.33Å; L179-V192 HydrophobicContact CD2-CG2 3.93Å; A188-V192 WeakPolarHBondContact O-CB 3.27Å; A188-V192 VanDerWaalsContact O-CG2 3.29Å; A188-V192 WeakPolarHBondContact O-CG2 3.48Å; A188-V192 PolarHBondContact O-N 2.77Å; E190-V192 PolarHBondContact O-N 3.32Å
193	L	98.7	Very high	98.5	Very high	131 Å²	131	57.4 Å²	57.4	69%	0.686	31%	0.312	S	S	*	.	H	α-helix	trans	-83.2	-23.5	-174.2	-64.3	174.9	0	0	0	113.4	S189 E190	S189-L193 WeakPolarHBondContact O-CB 3.4Å; S189-L193 WeakPolarHBondContact O-CG 3.5Å; S189-L193 PolarHBondContact O-N 3.41Å; E190-L193 PolarHBondContact O-N 2.91Å
194	T	98.5	Very high	98.6	Very high	65 Å²	65	60.9 Å²	60.9	40%	0.399	33%	0.326	S	S	.	.	H	α-helix	trans	-100	-23.6	177.4	65.6	0	0	0	0	112.8	E190 N196	E190-T194 HydrophobicContact CG-CG2 4.31Å; E190-T194 VanDerWaalsContact O-CB 3.32Å; E190-T194 WeakPolarHBondContact O-CB 3.49Å; E190-T194 WeakPolarHBondContact O-CG2 3.47Å; E190-T194 PolarHBondContact O-N 3.02Å; E190-T194 PolarHBondContact O-OG1 3.11Å; T194-N196 PolarHBondContact O-N 2.87Å; T194-N196 WeakPolarHBondContact OG1-CB 3.32Å; T194-N196 PolarHBondContact OG1-N 3.3Å; T194-N196 VanDerWaalsContact OG1-N 3.08Å; T194-N196 PolarHBondContact OG1-ND2 3.44Å
195	G	98	Very high	98.6	Very high	10 Å²	10	66.3 Å²	66.3	10%	0.103	34%	0.342	C	S	.	.			trans	71.8	10.3	-168.3	0	0	0	0	0	113.9	M191	M191-G195 VanDerWaalsContact O-CA 3.31Å; M191-G195 WeakPolarHBondContact O-CA 3.47Å; M191-G195 PolarHBondContact O-N 3.11Å
196	N	98.1	Very high	98.6	Very high	91 Å²	91	60.2 Å²	60.2	49%	0.487	32%	0.321	S	S	.	.			trans	-64.5	162.7	176.6	-73.9	-15	0	0	0	111.8	T194	T194-N196 PolarHBondContact O-N 2.87Å; T194-N196 WeakPolarHBondContact OG1-CB 3.32Å; T194-N196 PolarHBondContact OG1-N 3.3Å; T194-N196 VanDerWaalsContact OG1-N 3.08Å; T194-N196 PolarHBondContact OG1-ND2 3.44Å
197	R	98.5	Very high	98.6	Very high	113 Å²	113	58 Å²	58	43%	0.426	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	148.4	-176.5	-57.2	173.1	-169.4	166.5	0.6	110.7	Y137 L139 F160	Y137-R197 VanDerWaalsContact CE1-NH1 3.25Å; L139-R197 HydrophobicContact CD2-CG 4.09Å; F160-R197 CarbonylContact O-C 3.52Å; F160-R197 WeakPolarHBondContact O-CA 3.48Å; F160-R197 WeakPolarHBondContact O-CB 3.39Å
198	L	98.7	Very high	98.6	Very high	28 Å²	28	56.2 Å²	56.2	15%	0.147	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.6	165.1	-57.2	-179	0	0	0	109	Q159 F160 V187 M191 E202 A203 A206	Q159-L198 WeakPolarHBondContact CA-O 3.24Å; F160-L198 PolarHBondContact N-O 3.24Å; F160-L198 PolarHBondContact O-N 3.11Å; V187-L198 HydrophobicContact CG1-CD1 3.86Å; V187-L198 HydrophobicContact CG1-CD2 4.46Å; M191-L198 HydrophobicContact SD-CD1 4.22Å; M191-L198 HydrophobicContact SD-CG 4.37Å; L198-E202 HydrophobicContact CB-CB 4.08Å; L198-E202 HydrophobicContact CD2-CB 4.18Å; L198-A203 HydrophobicContact CB-CB 4.2Å; L198-A206 HydrophobicContact CD1-CB 4.5Å
199	S	98.8	Very high	98.6	Very high	44 Å²	44	56.2 Å²	56.2	31%	0.308	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	166.2	163.1	65.5	0	0	0	0	111.2	A158 M201 E202 A203	A158-S199 CarbonylContact O-C 3.46Å; S199-M201 PolarHBondContact O-N 3.38Å; S199-E202 VanDerWaalsContact CB-OE2 3.23Å; S199-E202 WeakPolarHBondContact CB-OE2 3.26Å; S199-E202 PolarHBondContact N-OE2 2.88Å; S199-E202 PolarHBondContact O-N 3.47Å; S199-E202 VanDerWaalsContact OG-CD 3.32Å; S199-E202 WeakPolarHBondContact OG-CG 3.34Å; S199-E202 PolarHBondContact OG-N 3.09Å; S199-E202 PolarHBondContact OG-OE2 3.26Å; S199-A203 VanDerWaalsContact O-CB 3.27Å; S199-A203 WeakPolarHBondContact O-CB 3.47Å; S199-A203 PolarHBondContact O-N 3.4Å
200	A	98.8	Very high	98.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-53.7	-39.2	174.6	0	0	0	0	0	113	A154 G155 A158 K204 V212	A154-A200 HydrophobicContact CB-CB 4Å; G155-A200 WeakPolarHBondContact O-CB 3.38Å; A158-A200 HydrophobicContact CB-CB 4.1Å; A158-A200 PolarHBondContact O-N 2.98Å; A200-K204 WeakPolarHBondContact O-CB 3.17Å; A200-K204 PolarHBondContact O-N 3.05Å; A200-K204 VanDerWaalsContact O-N 3.09Å; A200-V212 HydrophobicContact CB-CG1 3.98Å; A200-V212 HydrophobicContact CB-CG2 4.01Å; A200-V212 VanDerWaalsContact O-CG2 3.27Å; A200-V212 WeakPolarHBondContact O-CG2 3.32Å
201	M	98.6	Very high	98.6	Very high	90 Å²	90	55.9 Å²	55.9	44%	0.443	30%	0.301	S	S	.	.	H	α-helix	trans	-72.9	-46.8	-179.7	-73.5	-59.2	-62.1	0	0	112.1	S199 A203 K204 E205 V212	S199-M201 PolarHBondContact O-N 3.38Å; M201-A203 VanDerWaalsContact C-N 3.3Å; M201-A203 PolarHBondContact O-N 3.3Å; M201-K204 WeakPolarHBondContact O-CB 3.49Å; M201-K204 PolarHBondContact O-N 2.89Å; M201-K204 VanDerWaalsContact O-N 3.11Å; M201-E205 WeakPolarHBondContact O-CG 3.1Å; M201-E205 PolarHBondContact O-N 2.9Å; M201-V212 HydrophobicContact SD-CB 4.09Å; M201-V212 HydrophobicContact SD-CG1 4.2Å; M201-V212 HydrophobicContact SD-CG2 3.99Å
202	E	98.7	Very high	98.6	Very high	93 Å²	93	57 Å²	57	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-41	175.3	-69.2	161.1	135.8	0	0	111.1	L198 S199 K204 E205 A206	L198-E202 HydrophobicContact CB-CB 4.08Å; L198-E202 HydrophobicContact CD2-CB 4.18Å; S199-E202 VanDerWaalsContact CB-OE2 3.23Å; S199-E202 WeakPolarHBondContact CB-OE2 3.26Å; S199-E202 PolarHBondContact N-OE2 2.88Å; S199-E202 PolarHBondContact O-N 3.47Å; S199-E202 VanDerWaalsContact OG-CD 3.32Å; S199-E202 WeakPolarHBondContact OG-CG 3.34Å; S199-E202 PolarHBondContact OG-N 3.09Å; S199-E202 PolarHBondContact OG-OE2 3.26Å; E202-K204 VanDerWaalsContact C-N 3.29Å; E202-K204 PolarHBondContact O-N 2.89Å; E202-E205 PolarHBondContact O-N 3.19Å; E202-A206 WeakPolarHBondContact O-CB 3.49Å; E202-A206 PolarHBondContact O-N 3.19Å
203	A	98.8	Very high	98.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-33.6	176.1	0	0	0	0	0	112.4	F160 L198 S199 M201 G207 L208 V209	F160-A203 HydrophobicContact CD2-CB 3.67Å; F160-A203 HydrophobicContact CE2-CB 4.08Å; F160-A203 HydrophobicContact CG-CB 4.35Å; L198-A203 HydrophobicContact CB-CB 4.2Å; S199-A203 VanDerWaalsContact O-CB 3.27Å; S199-A203 WeakPolarHBondContact O-CB 3.47Å; S199-A203 PolarHBondContact O-N 3.4Å; M201-A203 VanDerWaalsContact C-N 3.3Å; M201-A203 PolarHBondContact O-N 3.3Å; A203-G207 PolarHBondContact O-N 3.01Å; A203-L208 HydrophobicContact CB-CB 4.37Å; A203-L208 HydrophobicContact CB-CD2 4.34Å; A203-L208 WeakPolarHBondContact O-CA 3.46Å; A203-L208 WeakPolarHBondContact O-CB 3.22Å; A203-L208 PolarHBondContact O-N 3.25Å; A203-V209 HydrophobicContact CB-CB 4.31Å; A203-V209 HydrophobicContact CB-CG2 3.72Å; A203-V209 PolarHBondContact O-N 3.21Å
204	K	98.8	Very high	98.6	Very high	89 Å²	89	54.4 Å²	54.4	39%	0.387	30%	0.295	S	S	.	.	H	α-helix	trans	-72.1	-44.6	173.8	172.3	173.7	169.4	-75.4	0	111.8	A200 M201 E202 A206 G207 V209 V212	A200-K204 WeakPolarHBondContact O-CB 3.17Å; A200-K204 PolarHBondContact O-N 3.05Å; A200-K204 VanDerWaalsContact O-N 3.09Å; M201-K204 WeakPolarHBondContact O-CB 3.49Å; M201-K204 PolarHBondContact O-N 2.89Å; M201-K204 VanDerWaalsContact O-N 3.11Å; E202-K204 VanDerWaalsContact C-N 3.29Å; E202-K204 PolarHBondContact O-N 2.89Å; K204-A206 VanDerWaalsContact C-N 3.26Å; K204-A206 PolarHBondContact O-N 3.45Å; K204-G207 PolarHBondContact O-N 3.47Å; K204-G207 VanDerWaalsContact O-N 3.11Å; K204-V209 WeakPolarHBondContact CA-O 3.23Å; K204-V209 HydrophobicContact CB-CB 4.07Å; K204-V209 HydrophobicContact CB-CG1 4.12Å; K204-V212 HydrophobicContact CB-CG2 3.91Å; K204-V212 HydrophobicContact CD-CB 4.43Å; K204-V212 HydrophobicContact CD-CG2 3.83Å
205	E	98.6	Very high	98.6	Very high	148 Å²	148	52.3 Å²	52.3	69%	0.692	28%	0.283	S	S	*	.	H	α-helix	trans	-62.6	-36.5	177.4	-73.2	172.5	-172.9	0	0	111.8	M201 E202 G207	M201-E205 WeakPolarHBondContact O-CG 3.1Å; M201-E205 PolarHBondContact O-N 2.9Å; E202-E205 PolarHBondContact O-N 3.19Å; E205-G207 VanDerWaalsContact C-N 3.29Å; E205-G207 PolarHBondContact O-N 3.23Å
206	A	98.3	Very high	98.6	Very high	28 Å²	28	58.3 Å²	58.3	23%	0.231	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.2	175.3	0	0	0	0	0	113.8	V183 V187 L198 E202 K204	V183-A206 WeakPolarHBondContact CA-O 3.46Å; V183-A206 HydrophobicContact CB-CB 3.96Å; V183-A206 HydrophobicContact CG1-CB 3.74Å; V187-A206 HydrophobicContact CG1-CB 4.23Å; L198-A206 HydrophobicContact CD1-CB 4.5Å; E202-A206 WeakPolarHBondContact O-CB 3.49Å; E202-A206 PolarHBondContact O-N 3.19Å; K204-A206 VanDerWaalsContact C-N 3.26Å; K204-A206 PolarHBondContact O-N 3.45Å
207	G	98.2	Very high	98.6	Very high	49 Å²	49	57 Å²	57	51%	0.505	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	4.5	179.5	0	0	0	0	0	116	A203 K204 E205	A203-G207 PolarHBondContact O-N 3.01Å; K204-G207 PolarHBondContact O-N 3.47Å; K204-G207 VanDerWaalsContact O-N 3.11Å; E205-G207 VanDerWaalsContact C-N 3.29Å; E205-G207 PolarHBondContact O-N 3.23Å
208	L	98.7	Very high	98.6	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.063	29%	0.286	C	S	.	.	S	Bend	trans	-73.7	-39.2	173.6	-179.6	62	0	0	0	112	M147 I152 F160 L179 V183 A203	M147-L208 HydrophobicContact CG-CD1 3.62Å; M147-L208 HydrophobicContact SD-CD1 3.85Å; I152-L208 HydrophobicContact CD1-CD1 4.03Å; I152-L208 HydrophobicContact CD1-CG 4.24Å; F160-L208 HydrophobicContact CB-CD2 4.09Å; F160-L208 HydrophobicContact CD1-CD2 4.09Å; F160-L208 HydrophobicContact CG-CD2 4.09Å; L179-L208 HydrophobicContact CD1-CD1 4.45Å; L179-L208 HydrophobicContact CD1-CD2 4.27Å; V183-L208 HydrophobicContact CG1-CB 3.69Å; A203-L208 HydrophobicContact CB-CB 4.37Å; A203-L208 HydrophobicContact CB-CD2 4.34Å; A203-L208 WeakPolarHBondContact O-CA 3.46Å; A203-L208 WeakPolarHBondContact O-CB 3.22Å; A203-L208 PolarHBondContact O-N 3.25Å
209	V	98.9	Very high	98.7	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.024	29%	0.291	C	S	.	.			trans	-106.3	130.7	-178.1	168.2	0	0	0	0	110.2	I152 A154 F160 A203 K204 K211 V212	I152-V209 HydrophobicContact CB-CG2 4.39Å; I152-V209 HydrophobicContact CG2-CG2 3.99Å; A154-V209 HydrophobicContact CB-CG1 3.71Å; A154-V209 HydrophobicContact CB-CG2 4.05Å; F160-V209 HydrophobicContact CD2-CG2 4.4Å; F160-V209 HydrophobicContact CE1-CG2 4.36Å; F160-V209 HydrophobicContact CE2-CG2 3.63Å; F160-V209 HydrophobicContact CZ-CG2 3.6Å; A203-V209 HydrophobicContact CB-CB 4.31Å; A203-V209 HydrophobicContact CB-CG2 3.72Å; A203-V209 PolarHBondContact O-N 3.21Å; K204-V209 WeakPolarHBondContact CA-O 3.23Å; K204-V209 HydrophobicContact CB-CB 4.07Å; K204-V209 HydrophobicContact CB-CG1 4.12Å; V209-K211 WeakPolarHBondContact CG1-O 3.27Å; V209-V212 HydrophobicContact CG1-CG2 4.08Å
210	S	98.8	Very high	98.6	Very high	63 Å²	63	56.7 Å²	56.7	44%	0.441	30%	0.304	S	S	.	.	S	Bend	trans	-74.5	-43.3	178.5	178.8	0	0	0	0	112	I152	I152-S210 PolarHBondContact O-N 3.18Å
211	K	98.8	Very high	98.6	Very high	91 Å²	91	58.7 Å²	58.7	40%	0.396	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.3	-179	-65	-174.7	-177.9	175.8	0	111.9	Y153 A154 V209 F213	Y153-K211 WeakPolarHBondContact CA-O 3.34Å; Y153-K211 HydrophobicContact CD1-CB 3.82Å; Y153-K211 HydrophobicContact CD1-CG 4.35Å; Y153-K211 HydrophobicContact CE1-CB 3.81Å; Y153-K211 HydrophobicContact CE1-CD 3.91Å; Y153-K211 HydrophobicContact CE1-CG 3.83Å; Y153-K211 HydrophobicContact CG-CB 4.49Å; A154-K211 PolarHBondContact N-O 3.16Å; V209-K211 WeakPolarHBondContact CG1-O 3.27Å; K211-F213 HydrophobicContact CB-CD2 4.32Å; K211-F213 HydrophobicContact CB-CE2 3.52Å; K211-F213 HydrophobicContact CB-CZ 3.76Å; K211-F213 HydrophobicContact CD-CE2 4.24Å; K211-F213 HydrophobicContact CD-CZ 3.67Å; K211-F213 HydrophobicContact CG-CZ 4.37Å
212	V	98.9	Very high	98.6	Very high	30 Å²	30	54.4 Å²	54.4	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.8	172	-178.7	0	0	0	0	108.5	A154 E156 A200 M201 K204 V209	A154-V212 HydrophobicContact CB-CG2 4.42Å; A154-V212 CarbonylContact O-C 3.58Å; A154-V212 VanDerWaalsContact O-CA 3.27Å; A154-V212 WeakPolarHBondContact O-CA 3.21Å; E156-V212 HydrophobicContact CG-CG1 3.98Å; A200-V212 HydrophobicContact CB-CG1 3.98Å; A200-V212 HydrophobicContact CB-CG2 4.01Å; A200-V212 VanDerWaalsContact O-CG2 3.27Å; A200-V212 WeakPolarHBondContact O-CG2 3.32Å; M201-V212 HydrophobicContact SD-CB 4.09Å; M201-V212 HydrophobicContact SD-CG1 4.2Å; M201-V212 HydrophobicContact SD-CG2 3.99Å; K204-V212 HydrophobicContact CB-CG2 3.91Å; K204-V212 HydrophobicContact CD-CB 4.43Å; K204-V212 HydrophobicContact CD-CG2 3.83Å; V209-V212 HydrophobicContact CG1-CG2 4.08Å
213	F	98.8	Very high	98.7	Very high	36 Å²	36	50.9 Å²	50.9	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	162.6	178.4	-60.7	-81.7	0	0	0	110	Y153 A154 G155 E156 K211 S215 V218 E221	Y153-F213 HydrophobicContact CD1-CE2 4.19Å; Y153-F213 HydrophobicContact CD2-CD2 4.4Å; Y153-F213 AromaticContact CD2-CE2 3.49Å; Y153-F213 HydrophobicContact CD2-CE2 3.49Å; Y153-F213 VanDerWaalsContact CD2-CE2 3.49Å; Y153-F213 HydrophobicContact CD2-CZ 4.17Å; Y153-F213 AromaticContact CE2-CE2 3.87Å; Y153-F213 HydrophobicContact CE2-CE2 3.87Å; Y153-F213 HydrophobicContact CE2-CZ 4.09Å; Y153-F213 HydrophobicContact CG-CD2 4.42Å; Y153-F213 AromaticContact CG-CE2 3.67Å; Y153-F213 HydrophobicContact CG-CE2 3.67Å; A154-F213 PolarHBondContact O-N 3.04Å; G155-F213 CarbonylContact C-O 3.56Å; G155-F213 VanDerWaalsContact CA-O 3.25Å; G155-F213 WeakPolarHBondContact CA-O 3.43Å; E156-F213 PolarHBondContact N-O 3.14Å; K211-F213 HydrophobicContact CB-CD2 4.32Å; K211-F213 HydrophobicContact CB-CE2 3.52Å; K211-F213 HydrophobicContact CB-CZ 3.76Å; K211-F213 HydrophobicContact CD-CE2 4.24Å; K211-F213 HydrophobicContact CD-CZ 3.67Å; K211-F213 HydrophobicContact CG-CZ 4.37Å; F213-S215 PolarHBondContact O-N 3.47Å; F213-V218 HydrophobicContact CB-CB 4.46Å; F213-V218 HydrophobicContact CD2-CG2 4.38Å; F213-E221 HydrophobicContact CD1-CB 4.1Å; F213-E221 HydrophobicContact CD1-CG 3.78Å; F213-E221 HydrophobicContact CD2-CB 4.22Å; F213-E221 HydrophobicContact CE1-CB 3.88Å; F213-E221 HydrophobicContact CE1-CG 3.78Å; F213-E221 HydrophobicContact CE2-CB 4.02Å; F213-E221 HydrophobicContact CG-CB 4.25Å; F213-E221 HydrophobicContact CG-CG 4.25Å; F213-E221 HydrophobicContact CZ-CB 3.82Å; F213-E221 HydrophobicContact CZ-CG 4.26Å
214	P	98.6	Very high	98.6	Very high	57 Å²	57	56.8 Å²	56.8	37%	0.37	30%	0.303	S	S	.	.			trans	-51.2	137.9	164.9	-26.1	35.1	0	0	0	110.5	D216 N217 V218	P214-D216 PolarHBondContact O-N 3.29Å; P214-D216 VanDerWaalsContact O-N 3.1Å; P214-N217 HydrophobicContact CB-CB 4.45Å; P214-N217 WeakPolarHBondContact O-CA 3.35Å; P214-N217 PolarHBondContact O-N 3.15Å; P214-V218 PolarHBondContact O-N 2.89Å
215	S	98.5	Very high	98.7	Very high	21 Å²	21	53.2 Å²	53.2	15%	0.147	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.7	-172	-71.3	0	0	0	0	114.3	Q91 N135 E156 N157 F213 N217	Q91-S215 PolarHBondContact NE2-O 3.2Å; N135-S215 PolarHBondContact ND2-O 3.39Å; N135-S215 WeakPolarHBondContact OD1-CA 3.38Å; N135-S215 WeakPolarHBondContact OD1-CB 3.14Å; N135-S215 PolarHBondContact OD1-O 3Å; N135-S215 PolarHBondContact OD1-OG 3.14Å; E156-S215 PolarHBondContact N-OG 3.19Å; N157-S215 WeakPolarHBondContact CB-OG 3.47Å; N157-S215 PolarHBondContact N-OG 3.42Å; N157-S215 VanDerWaalsContact N-OG 3.13Å; N157-S215 PolarHBondContact OD1-OG 2.97Å; F213-S215 PolarHBondContact O-N 3.47Å; S215-N217 VanDerWaalsContact C-N 3.25Å; S215-N217 PolarHBondContact O-N 2.6Å
216	D	98.2	Very high	98.7	Very high	136 Å²	136	46.1 Å²	46.1	73%	0.727	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.8	177.3	-64.9	-28.2	0	0	0	113.6	P214	P214-D216 PolarHBondContact O-N 3.29Å; P214-D216 VanDerWaalsContact O-N 3.1Å
217	N	98.4	Very high	98.7	Very high	65 Å²	65	45.4 Å²	45.4	35%	0.348	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-15.1	-175.8	-72.6	-39.6	0	0	0	114.2	P214 S215 V219 K220 E221	P214-N217 HydrophobicContact CB-CB 4.45Å; P214-N217 WeakPolarHBondContact O-CA 3.35Å; P214-N217 PolarHBondContact O-N 3.15Å; S215-N217 VanDerWaalsContact C-N 3.25Å; S215-N217 PolarHBondContact O-N 2.6Å; N217-V219 PolarHBondContact O-N 2.91Å; N217-K220 WeakPolarHBondContact O-CB 3.33Å; N217-K220 PolarHBondContact O-N 2.89Å; N217-K220 VanDerWaalsContact O-N 3.14Å; N217-E221 PolarHBondContact O-N 3.02Å
218	V	98.8	Very high	98.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-44.5	-172.1	67.6	0	0	0	0	113.1	A133 N135 A154 F213 P214 E221 A222	A133-V218 HydrophobicContact CB-CG2 4.35Å; N135-V218 WeakPolarHBondContact ND2-CG1 3.35Å; A154-V218 VanDerWaalsContact C-CG2 3.44Å; F213-V218 HydrophobicContact CB-CB 4.46Å; F213-V218 HydrophobicContact CD2-CG2 4.38Å; P214-V218 PolarHBondContact O-N 2.89Å; V218-E221 PolarHBondContact O-N 2.76Å; V218-A222 WeakPolarHBondContact O-CB 3.45Å; V218-A222 PolarHBondContact O-N 3.15Å
219	V	98.7	Very high	98.6	Very high	40 Å²	40	51.4 Å²	51.4	24%	0.242	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-42.5	179.2	-179.5	0	0	0	0	110.4	L49 T88 A133 N217 E221 A222 V223	L49-V219 HydrophobicContact CD1-CG1 4.25Å; T88-V219 HydrophobicContact CG2-CG2 4.28Å; A133-V219 HydrophobicContact CB-CG2 4.19Å; N217-V219 PolarHBondContact O-N 2.91Å; V219-E221 PolarHBondContact O-N 3.15Å; V219-A222 PolarHBondContact O-N 3.44Å; V219-V223 HydrophobicContact CG1-CG2 4.41Å; V219-V223 WeakPolarHBondContact O-CB 3.33Å; V219-V223 WeakPolarHBondContact O-CG2 3.39Å; V219-V223 PolarHBondContact O-N 3.4Å
220	K	98.5	Very high	98.5	Very high	137 Å²	137	52.3 Å²	52.3	60%	0.596	26%	0.263	S	S	*	.	H	α-helix	trans	-60.3	-45.7	176.9	179.4	-176.9	175.4	-177.1	0	111.7	N217 V223 K224	N217-K220 WeakPolarHBondContact O-CB 3.33Å; N217-K220 PolarHBondContact O-N 2.89Å; N217-K220 VanDerWaalsContact O-N 3.14Å; K220-V223 PolarHBondContact O-N 3.23Å; K220-K224 WeakPolarHBondContact O-CB 3.5Å; K220-K224 PolarHBondContact O-N 2.73Å
221	E	98.8	Very high	98.4	Very high	43 Å²	43	54.5 Å²	54.5	20%	0.201	26%	0.264	C	S	.	.	H	α-helix	trans	-71.3	-32.3	179.7	-68.9	-59.3	133.2	0	0	112.5	F213 N217 V218 V219 K224 T225	F213-E221 HydrophobicContact CD1-CB 4.1Å; F213-E221 HydrophobicContact CD1-CG 3.78Å; F213-E221 HydrophobicContact CD2-CB 4.22Å; F213-E221 HydrophobicContact CE1-CB 3.88Å; F213-E221 HydrophobicContact CE1-CG 3.78Å; F213-E221 HydrophobicContact CE2-CB 4.02Å; F213-E221 HydrophobicContact CG-CB 4.25Å; F213-E221 HydrophobicContact CG-CG 4.25Å; F213-E221 HydrophobicContact CZ-CB 3.82Å; F213-E221 HydrophobicContact CZ-CG 4.26Å; N217-E221 PolarHBondContact O-N 3.02Å; V218-E221 PolarHBondContact O-N 2.76Å; V219-E221 PolarHBondContact O-N 3.15Å; E221-K224 IonicContact OE1-NZ 3.93Å; E221-K224 IonicContact OE2-NZ 3.66Å; E221-T225 WeakPolarHBondContact O-CB 3.32Å; E221-T225 PolarHBondContact O-N 2.84Å; E221-T225 PolarHBondContact O-OG1 3.38Å
222	A	98.9	Very high	98.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-47.4	170.3	0	0	0	0	0	111.6	V86 I131 A133 Y153 V218 V219 K224 T225 A226	V86-A222 HydrophobicContact CG1-CB 3.92Å; V86-A222 HydrophobicContact CG2-CB 4.31Å; I131-A222 HydrophobicContact CG2-CB 4.17Å; A133-A222 HydrophobicContact CB-CB 3.73Å; Y153-A222 HydrophobicContact CD2-CB 4.18Å; V218-A222 WeakPolarHBondContact O-CB 3.45Å; V218-A222 PolarHBondContact O-N 3.15Å; V219-A222 PolarHBondContact O-N 3.44Å; A222-K224 PolarHBondContact O-N 2.91Å; A222-T225 PolarHBondContact O-N 3.4Å; A222-A226 WeakPolarHBondContact O-CB 3.39Å; A222-A226 PolarHBondContact O-N 3.02Å
223	V	98.9	Very high	98.3	Very high	20 Å²	20	53.3 Å²	53.3	12%	0.121	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-45	176.2	168.6	0	0	0	0	111.3	V41 V86 V219 K220 T225 A226 E227	V41-V223 HydrophobicContact CB-CG1 4.43Å; V41-V223 HydrophobicContact CG2-CB 4.43Å; V41-V223 HydrophobicContact CG2-CG1 3.77Å; V41-V223 HydrophobicContact CG2-CG2 3.72Å; V86-V223 HydrophobicContact CG2-CG2 4.3Å; V219-V223 HydrophobicContact CG1-CG2 4.41Å; V219-V223 WeakPolarHBondContact O-CB 3.33Å; V219-V223 WeakPolarHBondContact O-CG2 3.39Å; V219-V223 PolarHBondContact O-N 3.4Å; K220-V223 PolarHBondContact O-N 3.23Å; V223-T225 VanDerWaalsContact C-N 3.29Å; V223-T225 PolarHBondContact O-N 3.41Å; V223-A226 PolarHBondContact O-N 3.44Å; V223-E227 WeakPolarHBondContact O-CB 3.28Å; V223-E227 PolarHBondContact O-N 3.39Å
224	K	98.7	Very high	98.1	Very high	123 Å²	123	54.8 Å²	54.8	54%	0.535	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-41.1	175.4	-179.3	-177	176.4	-173.4	0	112.1	K220 E221 A222 R228	K220-K224 WeakPolarHBondContact O-CB 3.5Å; K220-K224 PolarHBondContact O-N 2.73Å; E221-K224 IonicContact OE1-NZ 3.93Å; E221-K224 IonicContact OE2-NZ 3.66Å; A222-K224 PolarHBondContact O-N 2.91Å; K224-R228 PolarHBondContact O-N 2.8Å; K224-R228 VanDerWaalsContact O-N 3.11Å
225	T	98.8	Very high	98	Very high	14 Å²	14	54.2 Å²	54.2	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-69.7	-44.3	177.2	-61.3	0	0	0	0	111.5	I131 F151 Y153 E221 A222 V223 E227 R228 I229	I131-T225 HydrophobicContact CD1-CG2 4.12Å; F151-T225 HydrophobicContact CE2-CG2 4.25Å; F151-T225 HydrophobicContact CZ-CG2 3.99Å; Y153-T225 HydrophobicContact CE2-CG2 4.29Å; Y153-T225 WeakPolarHBondContact CE2-OG1 3.43Å; E221-T225 WeakPolarHBondContact O-CB 3.32Å; E221-T225 PolarHBondContact O-N 2.84Å; E221-T225 PolarHBondContact O-OG1 3.38Å; A222-T225 PolarHBondContact O-N 3.4Å; V223-T225 VanDerWaalsContact C-N 3.29Å; V223-T225 PolarHBondContact O-N 3.41Å; T225-E227 VanDerWaalsContact C-N 3.28Å; T225-E227 PolarHBondContact O-N 3.27Å; T225-R228 WeakPolarHBondContact O-CB 3.43Å; T225-R228 PolarHBondContact O-N 3.2Å; T225-I229 HydrophobicContact CG2-CD1 4.31Å; T225-I229 WeakPolarHBondContact O-CG1 2.95Å; T225-I229 PolarHBondContact O-N 3.09Å
226	A	98.8	Very high	98	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-38.6	174.6	0	0	0	0	0	111.7	V47 A84 V86 I131 A222 V223 I229 S230	V47-A226 HydrophobicContact CB-CB 4.3Å; V47-A226 HydrophobicContact CG1-CB 3.6Å; V47-A226 HydrophobicContact CG2-CB 3.67Å; A84-A226 HydrophobicContact CB-CB 3.86Å; V86-A226 HydrophobicContact CG2-CB 3.67Å; I131-A226 HydrophobicContact CD1-CB 3.88Å; A222-A226 WeakPolarHBondContact O-CB 3.39Å; A222-A226 PolarHBondContact O-N 3.02Å; V223-A226 PolarHBondContact O-N 3.44Å; A226-I229 CarbonylContact O-C 3.56Å; A226-I229 WeakPolarHBondContact O-CB 3.19Å; A226-I229 PolarHBondContact O-N 3.04Å; A226-S230 PolarHBondContact O-N 3.37Å
227	E	98.2	Very high	98	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-41.9	177.2	-168.4	-171	-110.5	0	0	110.9	G42 E43 T44 V47 V223 T225 I229 S230 K231	G42-E227 WeakPolarHBondContact CA-OE1 3.14Å; E43-E227 WeakPolarHBondContact CA-OE1 3.47Å; E43-E227 WeakPolarHBondContact CB-OE1 3.41Å; E43-E227 PolarHBondContact N-OE1 3.34Å; T44-E227 PolarHBondContact N-OE1 3.4Å; V47-E227 HydrophobicContact CG2-CB 3.93Å; V223-E227 WeakPolarHBondContact O-CB 3.28Å; V223-E227 PolarHBondContact O-N 3.39Å; T225-E227 VanDerWaalsContact C-N 3.28Å; T225-E227 PolarHBondContact O-N 3.27Å; E227-I229 PolarHBondContact O-N 2.92Å; E227-S230 WeakPolarHBondContact CA-OG 3.39Å; E227-S230 PolarHBondContact O-N 3.41Å; E227-S230 VanDerWaalsContact O-N 3.1Å; E227-S230 PolarHBondContact O-OG 3.33Å; E227-K231 WeakPolarHBondContact O-CG 3.33Å; E227-K231 PolarHBondContact O-N 3.09Å; E227-K231 VanDerWaalsContact O-N 3.08Å; E227-K231 IonicContact OE2-NZ 2.72Å; E227-K231 PolarHBondContact OE2-NZ 2.93Å
228	R	98	Very high	97.9	Very high	157 Å²	157	48.6 Å²	48.6	59%	0.592	22%	0.224	S	C	*	.	H	α-helix	trans	-60.1	-36.6	173.2	-174.8	173.7	64.5	158.8	2.7	112.3	K224 T225 Q232	K224-R228 PolarHBondContact O-N 2.8Å; K224-R228 VanDerWaalsContact O-N 3.11Å; T225-R228 WeakPolarHBondContact O-CB 3.43Å; T225-R228 PolarHBondContact O-N 3.2Å; R228-Q232 PolarHBondContact O-NE2 3.44Å
229	I	98.4	Very high	97.9	Very high	30 Å²	30	50.2 Å²	50.2	15%	0.154	23%	0.232	C	C	.	.	H	α-helix	trans	-67.3	-44.2	173.3	-68.2	168.2	0	0	0	110.4	A84 P129 I131 F151 T225 A226 E227 K231 Q232 T237	A84-I229 HydrophobicContact CB-CB 4.33Å; A84-I229 HydrophobicContact CB-CG2 4.08Å; P129-I229 HydrophobicContact CB-CD1 4.37Å; P129-I229 HydrophobicContact CB-CG2 3.95Å; P129-I229 HydrophobicContact CG-CG2 3.64Å; I131-I229 HydrophobicContact CD1-CD1 4.27Å; F151-I229 HydrophobicContact CE1-CD1 4.23Å; F151-I229 HydrophobicContact CZ-CD1 4.07Å; T225-I229 HydrophobicContact CG2-CD1 4.31Å; T225-I229 WeakPolarHBondContact O-CG1 2.95Å; T225-I229 PolarHBondContact O-N 3.09Å; A226-I229 CarbonylContact O-C 3.56Å; A226-I229 WeakPolarHBondContact O-CB 3.19Å; A226-I229 PolarHBondContact O-N 3.04Å; E227-I229 PolarHBondContact O-N 2.92Å; I229-K231 PolarHBondContact O-N 3.45Å; I229-K231 VanDerWaalsContact O-N 3.16Å; I229-Q232 VanDerWaalsContact O-CB 3.26Å; I229-Q232 WeakPolarHBondContact O-CB 3.25Å; I229-Q232 WeakPolarHBondContact O-CG 3.4Å; I229-Q232 PolarHBondContact O-N 3.28Å; I229-T237 HydrophobicContact CG2-CG2 4.33Å
230	S	97.1	Very high	97.9	Very high	23 Å²	23	50.8 Å²	50.8	16%	0.161	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-20.8	179.6	74.6	0	0	0	0	114.1	T46 A226 E227 Q232	T46-S230 WeakPolarHBondContact CB-OG 3.27Å; T46-S230 PolarHBondContact OG1-OG 3.48Å; A226-S230 PolarHBondContact O-N 3.37Å; E227-S230 WeakPolarHBondContact CA-OG 3.39Å; E227-S230 PolarHBondContact O-N 3.41Å; E227-S230 VanDerWaalsContact O-N 3.1Å; E227-S230 PolarHBondContact O-OG 3.33Å; S230-Q232 VanDerWaalsContact C-N 3.31Å
231	K	96.1	Very high	97.9	Very high	108 Å²	108	45.2 Å²	45.2	47%	0.47	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-10	174	-70.6	166.6	-178.5	164.7	0	112.8	E227 I229	E227-K231 WeakPolarHBondContact O-CG 3.33Å; E227-K231 PolarHBondContact O-N 3.09Å; E227-K231 VanDerWaalsContact O-N 3.08Å; E227-K231 IonicContact OE2-NZ 2.72Å; E227-K231 PolarHBondContact OE2-NZ 2.93Å; I229-K231 PolarHBondContact O-N 3.45Å; I229-K231 VanDerWaalsContact O-N 3.16Å
232	Q	97.2	Very high	97.9	Very high	92 Å²	92	47.8 Å²	47.8	43%	0.43	23%	0.229	S	C	.	.	S	Bend	trans	-82.6	168.6	172.5	-54.1	-56.1	-36.8	0	0	110.9	R228 I229 S230 R234 T237	R228-Q232 PolarHBondContact O-NE2 3.44Å; I229-Q232 VanDerWaalsContact O-CB 3.26Å; I229-Q232 WeakPolarHBondContact O-CB 3.25Å; I229-Q232 WeakPolarHBondContact O-CG 3.4Å; I229-Q232 PolarHBondContact O-N 3.28Å; S230-Q232 VanDerWaalsContact C-N 3.31Å; Q232-R234 PolarHBondContact O-N 2.84Å; Q232-T237 HydrophobicContact CB-CG2 3.63Å; Q232-T237 HydrophobicContact CG-CG2 4.31Å
233	S	97.3	Very high	97.8	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.028	24%	0.237	C	C	.	.			trans	-59.9	120.8	169.7	167.5	0	0	0	0	111	I235 I236 T237 D271 Y287	S233-I235 PolarHBondContact O-N 2.67Å; S233-I235 WeakPolarHBondContact OG-CG2 2.99Å; S233-I236 PolarHBondContact O-N 2.76Å; S233-I236 VanDerWaalsContact OG-CG1 3.23Å; S233-I236 WeakPolarHBondContact OG-CG1 3.08Å; S233-I236 PolarHBondContact OG-N 2.88Å; S233-T237 WeakPolarHBondContact O-CG2 3.5Å; S233-T237 PolarHBondContact O-N 3.48Å; S233-T237 PolarHBondContact O-OG1 3.24Å; S233-D271 WeakPolarHBondContact CB-OD2 3.32Å; S233-D271 VanDerWaalsContact OG-CB 3.26Å; S233-D271 WeakPolarHBondContact OG-CB 3.13Å; S233-D271 VanDerWaalsContact OG-CG 3.28Å; S233-D271 PolarHBondContact OG-OD2 3.34Å; S233-Y287 VanDerWaalsContact N-CD2 3.26Å
234	R	96.1	Very high	97.8	Very high	67 Å²	67	52.7 Å²	52.7	25%	0.253	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-47.8	-179.1	-175.3	169.7	61.1	161.8	2.4	111.8	N80 Q232 I236 T237 M238	N80-R234 PolarHBondContact OD1-NH1 3.15Å; N80-R234 PolarHBondContact OD1-NH2 2.86Å; Q232-R234 PolarHBondContact O-N 2.84Å; R234-I236 VanDerWaalsContact C-N 3.31Å; R234-I236 PolarHBondContact O-N 3.29Å; R234-T237 PolarHBondContact O-N 3.35Å; R234-T237 PolarHBondContact O-OG1 2.89Å; R234-M238 HydrophobicContact CG-CE 3.77Å; R234-M238 HydrophobicContact CG-SD 4.26Å; R234-M238 VanDerWaalsContact O-CG 3.27Å; R234-M238 WeakPolarHBondContact O-CG 3.23Å; R234-M238 PolarHBondContact O-N 2.88Å
235	I	96.1	Very high	97.7	Very high	46 Å²	46	50.3 Å²	50.3	24%	0.236	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-39	179.3	-170.7	166.7	0	0	0	111.7	S233 M238 M239 T269	S233-I235 PolarHBondContact O-N 2.67Å; S233-I235 WeakPolarHBondContact OG-CG2 2.99Å; I235-M238 PolarHBondContact O-N 2.81Å; I235-M239 HydrophobicContact CD1-CE 3.97Å; I235-M239 HydrophobicContact CG1-CE 3.83Å; I235-M239 HydrophobicContact CG1-SD 4.36Å; I235-M239 WeakPolarHBondContact O-CG 3.26Å; I235-M239 PolarHBondContact O-N 3.36Å; I235-T269 HydrophobicContact CD1-CG2 4.14Å; I235-T269 HydrophobicContact CG2-CG2 4.14Å
236	I	98	Very high	97.6	Very high	52 Å²	52	53 Å²	53	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-69	-42.6	178.9	-60.5	-61.4	0	0	0	111.4	S233 R234 M238 M239 A240 T266 T269	S233-I236 PolarHBondContact O-N 2.76Å; S233-I236 VanDerWaalsContact OG-CG1 3.23Å; S233-I236 WeakPolarHBondContact OG-CG1 3.08Å; S233-I236 PolarHBondContact OG-N 2.88Å; R234-I236 VanDerWaalsContact C-N 3.31Å; R234-I236 PolarHBondContact O-N 3.29Å; I236-M238 VanDerWaalsContact C-N 3.33Å; I236-M238 PolarHBondContact O-N 2.93Å; I236-M239 PolarHBondContact O-N 3.45Å; I236-A240 WeakPolarHBondContact O-CB 3.35Å; I236-A240 PolarHBondContact O-N 3.13Å; I236-T266 HydrophobicContact CD1-CG2 3.55Å; I236-T269 HydrophobicContact CD1-CG2 4.5Å
237	T	98	Very high	97.5	Very high	24 Å²	24	56.1 Å²	56.1	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-37.2	175.6	57.8	0	0	0	0	112.4	I229 Q232 S233 R234 A240 K241	I229-T237 HydrophobicContact CG2-CG2 4.33Å; Q232-T237 HydrophobicContact CB-CG2 3.63Å; Q232-T237 HydrophobicContact CG-CG2 4.31Å; S233-T237 WeakPolarHBondContact O-CG2 3.5Å; S233-T237 PolarHBondContact O-N 3.48Å; S233-T237 PolarHBondContact O-OG1 3.24Å; R234-T237 PolarHBondContact O-N 3.35Å; R234-T237 PolarHBondContact O-OG1 2.89Å; T237-A240 PolarHBondContact O-N 3.42Å; T237-K241 WeakPolarHBondContact O-CB 3.42Å; T237-K241 PolarHBondContact O-N 3.37Å
238	M	97.6	Very high	97.3	Very high	27 Å²	27	61.2 Å²	61.2	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-44.3	173.9	-69.8	175.9	169.8	0	0	112	R127 K128 R234 I235 I236 K241 Q242	R127-M238 HydrophobicContact CB-CE 4.18Å; R127-M238 HydrophobicContact CB-CG 4.15Å; R127-M238 HydrophobicContact CB-SD 4.22Å; R127-M238 WeakPolarHBondContact O-CG 3.38Å; K128-M238 HydrophobicContact CD-CE 4.45Å; K128-M238 HydrophobicContact CG-CE 3.5Å; R234-M238 HydrophobicContact CG-CE 3.77Å; R234-M238 HydrophobicContact CG-SD 4.26Å; R234-M238 VanDerWaalsContact O-CG 3.27Å; R234-M238 WeakPolarHBondContact O-CG 3.23Å; R234-M238 PolarHBondContact O-N 2.88Å; I235-M238 PolarHBondContact O-N 2.81Å; I236-M238 VanDerWaalsContact C-N 3.33Å; I236-M238 PolarHBondContact O-N 2.93Å; M238-K241 PolarHBondContact O-N 3.12Å; M238-Q242 WeakPolarHBondContact O-CB 3.03Å; M238-Q242 PolarHBondContact O-N 2.82Å
239	M	98.1	Very high	97.1	Very high	34 Å²	34	60.3 Å²	60.3	17%	0.167	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-43.3	176.4	-71.5	176.6	173.4	0	0	111.6	I235 I236 Q242 A243 L262 T266	I235-M239 HydrophobicContact CD1-CE 3.97Å; I235-M239 HydrophobicContact CG1-CE 3.83Å; I235-M239 HydrophobicContact CG1-SD 4.36Å; I235-M239 WeakPolarHBondContact O-CG 3.26Å; I235-M239 PolarHBondContact O-N 3.36Å; I236-M239 PolarHBondContact O-N 3.45Å; M239-Q242 WeakPolarHBondContact O-CB 3.38Å; M239-Q242 PolarHBondContact O-N 3.15Å; M239-A243 PolarHBondContact O-N 2.81Å; M239-L262 HydrophobicContact CB-CD2 4.44Å; M239-L262 HydrophobicContact CG-CD2 4.21Å; M239-T266 HydrophobicContact SD-CG2 3.88Å
240	A	98.5	Very high	97.1	Very high	53 Å²	53	60.9 Å²	60.9	44%	0.438	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-46.3	176.6	0	0	0	0	0	111.6	I236 T237 Q242 A243 V244	I236-A240 WeakPolarHBondContact O-CB 3.35Å; I236-A240 PolarHBondContact O-N 3.13Å; T237-A240 PolarHBondContact O-N 3.42Å; A240-Q242 VanDerWaalsContact C-N 3.33Å; A240-Q242 PolarHBondContact O-N 3.05Å; A240-A243 PolarHBondContact O-N 3.26Å; A240-V244 WeakPolarHBondContact O-CG2 3.21Å; A240-V244 PolarHBondContact O-N 2.96Å
241	K	98.4	Very high	97.1	Very high	20 Å²	20	64.1 Å²	64.1	9%	0.087	33%	0.333	C	S	.	.	H	α-helix	trans	-57.1	-45.7	173.5	171.8	169.3	169.8	162.2	0	111.5	A126 K128 D150 T237 M238 A243 V244 K245	A126-K241 WeakPolarHBondContact O-CE 3.37Å; A126-K241 PolarHBondContact O-NZ 3.12Å; K128-K241 PolarHBondContact O-NZ 2.84Å; D150-K241 VanDerWaalsContact CG-NZ 3.31Å; D150-K241 VanDerWaalsContact OD1-CD 3.24Å; D150-K241 WeakPolarHBondContact OD1-CD 3.49Å; D150-K241 WeakPolarHBondContact OD1-CE 3.38Å; D150-K241 IonicContact OD1-NZ 3.72Å; D150-K241 PolarHBondContact OD1-NZ 2.93Å; D150-K241 VanDerWaalsContact OD1-NZ 3.13Å; D150-K241 WeakPolarHBondContact OD2-CD 3.43Å; D150-K241 WeakPolarHBondContact OD2-CE 3.46Å; D150-K241 IonicContact OD2-NZ 3.92Å; D150-K241 PolarHBondContact OD2-NZ 3.12Å; T237-K241 WeakPolarHBondContact O-CB 3.42Å; T237-K241 PolarHBondContact O-N 3.37Å; M238-K241 PolarHBondContact O-N 3.12Å; K241-A243 PolarHBondContact O-N 3.16Å; K241-V244 PolarHBondContact O-N 3.39Å; K241-K245 HydrophobicContact CG-CD 4.1Å; K241-K245 HydrophobicContact CG-CG 4.39Å; K241-K245 WeakPolarHBondContact O-CB 3.38Å; K241-K245 WeakPolarHBondContact O-CG 3.43Å; K241-K245 PolarHBondContact O-N 2.9Å
242	Q	97.9	Very high	97.2	Very high	97 Å²	97	65.6 Å²	65.6	45%	0.453	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-44.6	177.5	-178.4	-179	-11.1	0	0	112.2	M238 M239 A240 K246 L262	M238-Q242 WeakPolarHBondContact O-CB 3.03Å; M238-Q242 PolarHBondContact O-N 2.82Å; M239-Q242 WeakPolarHBondContact O-CB 3.38Å; M239-Q242 PolarHBondContact O-N 3.15Å; A240-Q242 VanDerWaalsContact C-N 3.33Å; A240-Q242 PolarHBondContact O-N 3.05Å; Q242-K246 PolarHBondContact O-N 2.84Å; Q242-L262 HydrophobicContact CB-CD1 4.18Å; Q242-L262 HydrophobicContact CG-CD1 4.03Å
243	A	98.3	Very high	97.2	Very high	19 Å²	19	67.5 Å²	67.5	16%	0.157	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-48.5	177.9	0	0	0	0	0	111.6	M239 A240 K241 K245 K246 E259 L262	M239-A243 PolarHBondContact O-N 2.81Å; A240-A243 PolarHBondContact O-N 3.26Å; K241-A243 PolarHBondContact O-N 3.16Å; A243-K245 PolarHBondContact O-N 2.96Å; A243-K246 WeakPolarHBondContact O-CB 3.28Å; A243-K246 PolarHBondContact O-N 3.39Å; A243-E259 HydrophobicContact CB-CB 4.5Å; A243-E259 HydrophobicContact CB-CG 4.49Å; A243-L262 HydrophobicContact CB-CD1 3.93Å
244	V	98.1	Very high	97.3	Very high	104 Å²	104	72.2 Å²	72.2	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-59.8	-47.7	178.5	170.8	0	0	0	0	111.2	A240 K241 K246 A247	A240-V244 WeakPolarHBondContact O-CG2 3.21Å; A240-V244 PolarHBondContact O-N 2.96Å; K241-V244 PolarHBondContact O-N 3.39Å; V244-K246 PolarHBondContact O-N 3.34Å; V244-A247 VanDerWaalsContact O-CB 3.3Å; V244-A247 WeakPolarHBondContact O-CB 2.96Å; V244-A247 PolarHBondContact O-N 3.19Å
245	K	96.8	Very high	97.4	Very high	73 Å²	73	69.7 Å²	69.7	32%	0.317	37%	0.37	S	S	.	.	H	α-helix	trans	-61.2	-31.2	-180	-76.4	-172.1	72.6	-158.1	0	112.9	A124 K241 A243 A247 Y248	A124-K245 PolarHBondContact O-NZ 3Å; K241-K245 HydrophobicContact CG-CD 4.1Å; K241-K245 HydrophobicContact CG-CG 4.39Å; K241-K245 WeakPolarHBondContact O-CB 3.38Å; K241-K245 WeakPolarHBondContact O-CG 3.43Å; K241-K245 PolarHBondContact O-N 2.9Å; A243-K245 PolarHBondContact O-N 2.96Å; K245-A247 PolarHBondContact O-N 2.78Å; K245-Y248 PolarHBondContact O-N 2.83Å; K245-Y248 VanDerWaalsContact O-N 3.16Å
246	K	97.2	Very high	97.5	Very high	69 Å²	69	70.3 Å²	70.3	30%	0.3	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-26.8	-178.9	-164.1	53.6	166.3	167	0	112.5	Q242 A243 V244 Y248 E249 T250 V258	Q242-K246 PolarHBondContact O-N 2.84Å; A243-K246 WeakPolarHBondContact O-CB 3.28Å; A243-K246 PolarHBondContact O-N 3.39Å; V244-K246 PolarHBondContact O-N 3.34Å; K246-Y248 PolarHBondContact O-N 3.12Å; K246-Y248 VanDerWaalsContact O-N 3.15Å; K246-E249 HydrophobicContact CD-CB 4.41Å; K246-E249 PolarHBondContact O-N 3.06Å; K246-T250 HydrophobicContact CD-CG2 3.81Å; K246-T250 HydrophobicContact CG-CG2 4.41Å; K246-T250 PolarHBondContact O-N 3.29Å; K246-T250 VanDerWaalsContact O-N 3.13Å; K246-T250 PolarHBondContact O-OG1 2.75Å; K246-T250 VanDerWaalsContact O-OG1 3.12Å; K246-V258 HydrophobicContact CG-CB 4.15Å; K246-V258 HydrophobicContact CG-CG1 4.23Å; K246-V258 HydrophobicContact CG-CG2 4.11Å
247	A	96.9	Very high	97.6	Very high	67 Å²	67	70.1 Å²	70.1	55%	0.554	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-26.6	177	0	0	0	0	0	113.9	V244 K245	V244-A247 VanDerWaalsContact O-CB 3.3Å; V244-A247 WeakPolarHBondContact O-CB 2.96Å; V244-A247 PolarHBondContact O-N 3.19Å; K245-A247 PolarHBondContact O-N 2.78Å
248	Y	93.9	Very high	97.6	Very high	119 Å²	119	70.8 Å²	70.8	47%	0.467	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-9.2	179	-69.9	-61.9	0	0	0	114.4	R181 K245 K246	R181-Y248 HydrophobicContact CB-CD1 3.95Å; R181-Y248 HydrophobicContact CB-CE1 3.79Å; R181-Y248 HydrophobicContact CG-CD1 4.08Å; R181-Y248 HydrophobicContact CG-CE1 4.35Å; K245-Y248 PolarHBondContact O-N 2.83Å; K245-Y248 VanDerWaalsContact O-N 3.16Å; K246-Y248 PolarHBondContact O-N 3.12Å; K246-Y248 VanDerWaalsContact O-N 3.15Å
249	E	94	Very high	97.6	Very high	138 Å²	138	74.6 Å²	74.6	65%	0.645	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-8.9	-174.2	-54.5	-56.2	154.1	0	0	112.8	K246	K246-E249 HydrophobicContact CD-CB 4.41Å; K246-E249 PolarHBondContact O-N 3.06Å
250	T	96.7	Very high	97.6	Very high	43 Å²	43	78 Å²	78	26%	0.264	41%	0.41	S	S	.	.	S	Bend	trans	-146.6	175.7	-178.7	60.6	0	0	0	0	113.7	K246 E254 G255	K246-T250 HydrophobicContact CD-CG2 3.81Å; K246-T250 HydrophobicContact CG-CG2 4.41Å; K246-T250 PolarHBondContact O-N 3.29Å; K246-T250 VanDerWaalsContact O-N 3.13Å; K246-T250 PolarHBondContact O-OG1 2.75Å; K246-T250 VanDerWaalsContact O-OG1 3.12Å; T250-E254 HydrophobicContact CG2-CB 4.18Å; T250-G255 PolarHBondContact OG1-N 3.22Å
251	T	97.8	Very high	97.6	Very high	90 Å²	90	80.7 Å²	80.7	55%	0.552	41%	0.413	S	S	*	.			trans	-68.1	164.6	168.5	68.9	0	0	0	0	111.4	Q253 E254 G255	T251-Q253 VanDerWaalsContact C-N 3.3Å; T251-Q253 PolarHBondContact O-N 2.74Å; T251-E254 PolarHBondContact O-N 2.7Å; T251-E254 PolarHBondContact OG1-N 3.09Å; T251-G255 PolarHBondContact O-N 3.14Å
252	L	98.2	Very high	97.6	Very high	139 Å²	139	80.9 Å²	80.9	73%	0.728	42%	0.415	S	S	*	.	H	α-helix	trans	-56.2	-43.6	175.7	177.4	60.6	0	0	0	112.2	E254 G255 L256	L252-E254 PolarHBondContact O-N 2.87Å; L252-G255 PolarHBondContact O-N 2.65Å; L252-L256 HydrophobicContact CD1-CD1 4.08Å; L252-L256 HydrophobicContact CD1-CG 4.06Å; L252-L256 HydrophobicContact CG-CD1 4Å; L252-L256 HydrophobicContact CG-CG 4.41Å; L252-L256 WeakPolarHBondContact O-CB 3.4Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.28Å; L252-L256 PolarHBondContact O-N 3.05Å
253	Q	98.5	Very high	97.7	Very high	132 Å²	132	81.8 Å²	81.8	62%	0.617	42%	0.418	S	S	*	.	H	α-helix	trans	-63.7	-43.5	-177.8	-172	65.2	15.8	0	0	111.9	T251 L256 S257	T251-Q253 VanDerWaalsContact C-N 3.3Å; T251-Q253 PolarHBondContact O-N 2.74Å; Q253-L256 PolarHBondContact O-N 3.21Å; Q253-S257 PolarHBondContact O-N 3Å
254	E	98.4	Very high	97.7	Very high	104 Å²	104	87.1 Å²	87.1	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-67.7	-39.3	176.1	-71.6	-55.1	137.6	0	0	111.8	T250 T251 L252 S257 V258	T250-E254 HydrophobicContact CG2-CB 4.18Å; T251-E254 PolarHBondContact O-N 2.7Å; T251-E254 PolarHBondContact OG1-N 3.09Å; L252-E254 PolarHBondContact O-N 2.87Å; E254-S257 WeakPolarHBondContact O-CB 3.34Å; E254-S257 PolarHBondContact O-N 2.86Å; E254-V258 WeakPolarHBondContact O-CG2 3.41Å; E254-V258 PolarHBondContact O-N 3.22Å
255	G	98.4	Very high	97.7	Very high	13 Å²	13	84.7 Å²	84.7	13%	0.134	42%	0.422	C	S	.	.	H	α-helix	trans	-58.7	-48.3	173.5	0	0	0	0	0	112.3	T250 T251 L252 S257 V258 E259	T250-G255 PolarHBondContact OG1-N 3.22Å; T251-G255 PolarHBondContact O-N 3.14Å; L252-G255 PolarHBondContact O-N 2.65Å; G255-S257 VanDerWaalsContact C-N 3.3Å; G255-S257 PolarHBondContact O-N 3.49Å; G255-V258 PolarHBondContact O-N 3.46Å; G255-E259 WeakPolarHBondContact O-CB 3.49Å; G255-E259 PolarHBondContact O-N 3.24Å
256	L	98.6	Very high	97.7	Very high	59 Å²	59	82.1 Å²	82.1	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-33.5	176.6	-71	172	0	0	0	112.7	L252 Q253 R260	L252-L256 HydrophobicContact CD1-CD1 4.08Å; L252-L256 HydrophobicContact CD1-CG 4.06Å; L252-L256 HydrophobicContact CG-CD1 4Å; L252-L256 HydrophobicContact CG-CG 4.41Å; L252-L256 WeakPolarHBondContact O-CB 3.4Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.28Å; L252-L256 PolarHBondContact O-N 3.05Å; Q253-L256 PolarHBondContact O-N 3.21Å; L256-R260 VanDerWaalsContact O-CB 3.31Å; L256-R260 WeakPolarHBondContact O-CB 3.29Å; L256-R260 PolarHBondContact O-N 2.78Å
257	S	98.5	Very high	97.8	Very high	49 Å²	49	83.5 Å²	83.5	34%	0.343	42%	0.419	S	S	.	.	H	α-helix	trans	-62.7	-50.1	173.9	-170.4	0	0	0	0	110.7	Q253 E254 G255 R260 Q261	Q253-S257 PolarHBondContact O-N 3Å; E254-S257 WeakPolarHBondContact O-CB 3.34Å; E254-S257 PolarHBondContact O-N 2.86Å; G255-S257 VanDerWaalsContact C-N 3.3Å; G255-S257 PolarHBondContact O-N 3.49Å; S257-R260 PolarHBondContact O-N 3.32Å; S257-Q261 WeakPolarHBondContact O-CG 3.31Å; S257-Q261 PolarHBondContact O-N 3.36Å
258	V	98.4	Very high	97.8	Very high	37 Å²	37	84.7 Å²	84.7	22%	0.224	42%	0.423	C	S	.	.	H	α-helix	trans	-62.9	-46.5	177.7	172.1	0	0	0	0	111.8	K246 E254 G255 R260 Q261 L262	K246-V258 HydrophobicContact CG-CB 4.15Å; K246-V258 HydrophobicContact CG-CG1 4.23Å; K246-V258 HydrophobicContact CG-CG2 4.11Å; E254-V258 WeakPolarHBondContact O-CG2 3.41Å; E254-V258 PolarHBondContact O-N 3.22Å; G255-V258 PolarHBondContact O-N 3.46Å; V258-R260 VanDerWaalsContact C-N 3.3Å; V258-R260 PolarHBondContact O-N 3.31Å; V258-Q261 PolarHBondContact O-N 3.36Å; V258-L262 HydrophobicContact CG1-CD1 3.78Å; V258-L262 HydrophobicContact CG1-CG 4.33Å; V258-L262 WeakPolarHBondContact O-CG 3.38Å; V258-L262 PolarHBondContact O-N 2.68Å
259	E	98.6	Very high	98	Very high	107 Å²	107	79.2 Å²	79.2	50%	0.5	40%	0.402	S	S	.	.	H	α-helix	trans	-54.7	-47.3	177.2	-178.1	-175.6	95.7	0	0	111.3	A243 G255 Q261 L262 F263	A243-E259 HydrophobicContact CB-CB 4.5Å; A243-E259 HydrophobicContact CB-CG 4.49Å; G255-E259 WeakPolarHBondContact O-CB 3.49Å; G255-E259 PolarHBondContact O-N 3.24Å; E259-Q261 PolarHBondContact O-N 2.77Å; E259-L262 PolarHBondContact O-N 2.98Å; E259-F263 WeakPolarHBondContact O-CB 3.49Å; E259-F263 PolarHBondContact O-N 3.45Å
260	R	98.5	Very high	98.1	Very high	106 Å²	106	74.7 Å²	74.7	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-43.7	-179.8	-175.1	180	-63.9	103.6	2.1	112.5	L256 S257 V258 F263 Y264	L256-R260 VanDerWaalsContact O-CB 3.31Å; L256-R260 WeakPolarHBondContact O-CB 3.29Å; L256-R260 PolarHBondContact O-N 2.78Å; S257-R260 PolarHBondContact O-N 3.32Å; V258-R260 VanDerWaalsContact C-N 3.3Å; V258-R260 PolarHBondContact O-N 3.31Å; R260-F263 PolarHBondContact O-N 3.12Å; R260-Y264 WeakPolarHBondContact CD-OH 3.47Å; R260-Y264 HydrophobicContact CG-CD2 4.07Å; R260-Y264 HydrophobicContact CG-CE1 4.01Å; R260-Y264 HydrophobicContact CG-CE2 3.45Å; R260-Y264 VanDerWaalsContact CG-CE2 3.45Å; R260-Y264 VanDerWaalsContact CG-CZ 3.41Å; R260-Y264 VanDerWaalsContact O-CG 3.25Å; R260-Y264 PolarHBondContact O-N 3.41Å
261	Q	98.6	Very high	98.2	Very high	110 Å²	110	72.8 Å²	72.8	51%	0.514	38%	0.377	S	S	.	.	H	α-helix	trans	-65.7	-41.1	178	-62.8	-54.4	-36.5	0	0	111.8	S257 V258 E259 S265	S257-Q261 WeakPolarHBondContact O-CG 3.31Å; S257-Q261 PolarHBondContact O-N 3.36Å; V258-Q261 PolarHBondContact O-N 3.36Å; E259-Q261 PolarHBondContact O-N 2.77Å; Q261-S265 WeakPolarHBondContact O-CB 3.44Å; Q261-S265 PolarHBondContact O-N 3.1Å; Q261-S265 PolarHBondContact O-OG 2.98Å
262	L	98.3	Very high	98.2	Very high	24 Å²	24	69.9 Å²	69.9	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-63.4	-46.3	174.7	-70	171.4	0	0	0	111	M239 Q242 A243 V258 E259 Y264 S265 T266	M239-L262 HydrophobicContact CB-CD2 4.44Å; M239-L262 HydrophobicContact CG-CD2 4.21Å; Q242-L262 HydrophobicContact CB-CD1 4.18Å; Q242-L262 HydrophobicContact CG-CD1 4.03Å; A243-L262 HydrophobicContact CB-CD1 3.93Å; V258-L262 HydrophobicContact CG1-CD1 3.78Å; V258-L262 HydrophobicContact CG1-CG 4.33Å; V258-L262 WeakPolarHBondContact O-CG 3.38Å; V258-L262 PolarHBondContact O-N 2.68Å; E259-L262 PolarHBondContact O-N 2.98Å; L262-Y264 PolarHBondContact O-N 3.25Å; L262-S265 WeakPolarHBondContact O-CB 3.37Å; L262-S265 PolarHBondContact O-N 3.07Å; L262-S265 VanDerWaalsContact O-N 3.15Å; L262-T266 WeakPolarHBondContact O-CG2 3.26Å; L262-T266 PolarHBondContact O-N 2.98Å; L262-T266 VanDerWaalsContact O-N 3.11Å
263	F	98.5	Very high	98.2	Very high	115 Å²	115	69.2 Å²	69.2	50%	0.504	35%	0.348	S	S	.	.	H	α-helix	trans	-57.9	-49.6	177.2	176.1	-107.1	0	0	0	112.1	E259 R260 S265 T266 F267	E259-F263 WeakPolarHBondContact O-CB 3.49Å; E259-F263 PolarHBondContact O-N 3.45Å; R260-F263 PolarHBondContact O-N 3.12Å; F263-S265 VanDerWaalsContact C-N 3.25Å; F263-S265 PolarHBondContact O-N 3.35Å; F263-T266 WeakPolarHBondContact O-CB 3.37Å; F263-T266 PolarHBondContact O-N 2.88Å; F263-T266 PolarHBondContact O-OG1 3Å; F263-F267 HydrophobicContact CD1-CE2 4.29Å; F263-F267 AromaticContact CE1-CE2 3.69Å; F263-F267 HydrophobicContact CE1-CE2 3.69Å; F263-F267 HydrophobicContact CE1-CZ 4.3Å; F263-F267 AromaticContact CE2-CE2 3.95Å; F263-F267 HydrophobicContact CE2-CE2 3.95Å; F263-F267 AromaticContact CZ-CE2 3.5Å; F263-F267 HydrophobicContact CZ-CE2 3.5Å; F263-F267 AromaticContact CZ-CZ 3.91Å; F263-F267 HydrophobicContact CZ-CZ 3.91Å; F263-F267 WeakPolarHBondContact O-CD2 3.37Å
264	Y	98.6	Very high	98.2	Very high	131 Å²	131	64.9 Å²	64.9	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-37.9	176.5	-64.9	-17.2	0	0	0	112	R260 L262 T266 F267	R260-Y264 WeakPolarHBondContact CD-OH 3.47Å; R260-Y264 HydrophobicContact CG-CD2 4.07Å; R260-Y264 HydrophobicContact CG-CE1 4.01Å; R260-Y264 HydrophobicContact CG-CE2 3.45Å; R260-Y264 VanDerWaalsContact CG-CE2 3.45Å; R260-Y264 VanDerWaalsContact CG-CZ 3.41Å; R260-Y264 VanDerWaalsContact O-CG 3.25Å; R260-Y264 PolarHBondContact O-N 3.41Å; L262-Y264 PolarHBondContact O-N 3.25Å; Y264-T266 PolarHBondContact O-N 3.44Å; Y264-F267 PolarHBondContact O-N 3.47Å
265	S	98.1	Very high	98.2	Very high	53 Å²	53	60.7 Å²	60.7	37%	0.371	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-31.5	176.1	-58	0	0	0	0	112.6	Q261 L262 F263 F267 S268	Q261-S265 WeakPolarHBondContact O-CB 3.44Å; Q261-S265 PolarHBondContact O-N 3.1Å; Q261-S265 PolarHBondContact O-OG 2.98Å; L262-S265 WeakPolarHBondContact O-CB 3.37Å; L262-S265 PolarHBondContact O-N 3.07Å; L262-S265 VanDerWaalsContact O-N 3.15Å; F263-S265 VanDerWaalsContact C-N 3.25Å; F263-S265 PolarHBondContact O-N 3.35Å; S265-F267 PolarHBondContact O-N 2.9Å; S265-S268 WeakPolarHBondContact O-CB 3.27Å; S265-S268 PolarHBondContact O-N 2.98Å; S265-S268 PolarHBondContact O-OG 3.18Å
266	T	98.2	Very high	98.2	Very high	20 Å²	20	65 Å²	65	12%	0.123	33%	0.33	C	S	.	.	H	α-helix	trans	-59.2	-31.2	178.9	71.1	0	0	0	0	113.2	I236 M239 L262 F263 Y264 S268 T269 Q272	I236-T266 HydrophobicContact CD1-CG2 3.55Å; M239-T266 HydrophobicContact SD-CG2 3.88Å; L262-T266 WeakPolarHBondContact O-CG2 3.26Å; L262-T266 PolarHBondContact O-N 2.98Å; L262-T266 VanDerWaalsContact O-N 3.11Å; F263-T266 WeakPolarHBondContact O-CB 3.37Å; F263-T266 PolarHBondContact O-N 2.88Å; F263-T266 PolarHBondContact O-OG1 3Å; Y264-T266 PolarHBondContact O-N 3.44Å; T266-S268 PolarHBondContact O-N 3.39Å; T266-S268 VanDerWaalsContact O-N 3.13Å; T266-T269 WeakPolarHBondContact O-CB 3.29Å; T266-T269 PolarHBondContact O-N 3.03Å; T266-T269 PolarHBondContact O-OG1 2.87Å; T266-Q272 WeakPolarHBondContact O-CB 3.31Å
267	F	97.9	Very high	98.1	Very high	98 Å²	98	64.3 Å²	64.3	43%	0.43	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.3	179.1	-75.6	-100.2	0	0	0	113.7	F263 Y264 S265 M276	F263-F267 HydrophobicContact CD1-CE2 4.29Å; F263-F267 AromaticContact CE1-CE2 3.69Å; F263-F267 HydrophobicContact CE1-CE2 3.69Å; F263-F267 HydrophobicContact CE1-CZ 4.3Å; F263-F267 AromaticContact CE2-CE2 3.95Å; F263-F267 HydrophobicContact CE2-CE2 3.95Å; F263-F267 AromaticContact CZ-CE2 3.5Å; F263-F267 HydrophobicContact CZ-CE2 3.5Å; F263-F267 AromaticContact CZ-CZ 3.91Å; F263-F267 HydrophobicContact CZ-CZ 3.91Å; F263-F267 WeakPolarHBondContact O-CD2 3.37Å; Y264-F267 PolarHBondContact O-N 3.47Å; S265-F267 PolarHBondContact O-N 2.9Å; F267-M276 HydrophobicContact CE1-CE 4.41Å; F267-M276 HydrophobicContact CZ-CE 4.43Å
268	S	96.7	Very high	98.1	Very high	92 Å²	92	62 Å²	62	64%	0.643	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-15.3	173.8	71.6	0	0	0	0	113.5	S265 T266	S265-S268 WeakPolarHBondContact O-CB 3.27Å; S265-S268 PolarHBondContact O-N 2.98Å; S265-S268 PolarHBondContact O-OG 3.18Å; T266-S268 PolarHBondContact O-N 3.39Å; T266-S268 VanDerWaalsContact O-N 3.13Å
269	T	97.8	Very high	98.1	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.018	34%	0.34	C	S	.	.	S	Bend	trans	-77.5	150.8	-174.9	67.4	0	0	0	0	112	I235 I236 T266 D271 Q272 S290	I235-T269 HydrophobicContact CD1-CG2 4.14Å; I235-T269 HydrophobicContact CG2-CG2 4.14Å; I236-T269 HydrophobicContact CD1-CG2 4.5Å; T266-T269 WeakPolarHBondContact O-CB 3.29Å; T266-T269 PolarHBondContact O-N 3.03Å; T266-T269 PolarHBondContact O-OG1 2.87Å; T269-D271 VanDerWaalsContact C-N 3.33Å; T269-Q272 WeakPolarHBondContact OG1-CB 3.35Å; T269-Q272 PolarHBondContact OG1-N 3.05Å; T269-Q272 VanDerWaalsContact OG1-N 3.08Å; T269-S290 WeakPolarHBondContact CA-OXT 3.36Å; T269-S290 VanDerWaalsContact CB-OXT 3.25Å; T269-S290 WeakPolarHBondContact CB-OXT 3.22Å
270	A	97.8	Very high	98.1	Very high	44 Å²	44	69 Å²	69	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-69.6	-37.1	171.9	0	0	0	0	0	110.6	Q272 K273 E274 S290	A270-Q272 VanDerWaalsContact C-N 3.33Å; A270-Q272 PolarHBondContact O-N 3.34Å; A270-K273 PolarHBondContact O-N 3.08Å; A270-E274 WeakPolarHBondContact O-CB 3.18Å; A270-E274 PolarHBondContact O-N 2.96Å; A270-S290 CarbonylContact C-O 3.59Å; A270-S290 WeakPolarHBondContact CA-O 3.13Å; A270-S290 VanDerWaalsContact CB-O 3.3Å; A270-S290 WeakPolarHBondContact CB-O 3.32Å; A270-S290 PolarHBondContact N-O 3.31Å
271	D	98	Very high	98.1	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.011	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-36.2	179.2	-78.2	-8.7	0	0	0	113.1	S233 T269 G275 Y287 S288 G289 S290	S233-D271 WeakPolarHBondContact CB-OD2 3.32Å; S233-D271 VanDerWaalsContact OG-CB 3.26Å; S233-D271 WeakPolarHBondContact OG-CB 3.13Å; S233-D271 VanDerWaalsContact OG-CG 3.28Å; S233-D271 PolarHBondContact OG-OD2 3.34Å; T269-D271 VanDerWaalsContact C-N 3.33Å; D271-G275 PolarHBondContact O-N 3.39Å; D271-Y287 HydrophobicContact CB-CD1 3.67Å; D271-Y287 HydrophobicContact CB-CE1 4.29Å; D271-Y287 HydrophobicContact CB-CG 4.47Å; D271-Y287 WeakPolarHBondContact O-CE1 3.47Å; D271-Y287 WeakPolarHBondContact OD1-CA 3.38Å; D271-Y287 WeakPolarHBondContact OD1-CB 3.39Å; D271-S288 PolarHBondContact OD1-N 2.76Å; D271-S288 PolarHBondContact OD1-OG 2.94Å; D271-G289 PolarHBondContact OD1-N 3.31Å; D271-G289 VanDerWaalsContact OD1-N 3.16Å; D271-G289 WeakPolarHBondContact OD2-CA 3.25Å; D271-G289 PolarHBondContact OD2-N 3.41Å; D271-S290 PolarHBondContact N-O 3.43Å; D271-S290 PolarHBondContact OD2-N 2.59Å
272	Q	97.9	Very high	98	Very high	29 Å²	29	73.7 Å²	73.7	14%	0.136	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-44.7	174.1	176.7	-81.9	-35.8	0	0	111.5	T266 T269 A270 G275 M276	T266-Q272 WeakPolarHBondContact O-CB 3.31Å; T269-Q272 WeakPolarHBondContact OG1-CB 3.35Å; T269-Q272 PolarHBondContact OG1-N 3.05Å; T269-Q272 VanDerWaalsContact OG1-N 3.08Å; A270-Q272 VanDerWaalsContact C-N 3.33Å; A270-Q272 PolarHBondContact O-N 3.34Å; Q272-G275 PolarHBondContact O-N 2.89Å; Q272-M276 HydrophobicContact CG-CE 4.41Å; Q272-M276 PolarHBondContact NE2-SD 3.24Å; Q272-M276 PolarHBondContact O-N 2.97Å
273	K	98	Very high	98	Very high	126 Å²	126	77.2 Å²	77.2	55%	0.548	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-45.8	177.9	-65	170.2	-175.2	164.9	0	111	A270 S277	A270-K273 PolarHBondContact O-N 3.08Å; K273-S277 WeakPolarHBondContact O-CB 3.18Å; K273-S277 PolarHBondContact O-N 2.89Å
274	E	98.3	Very high	97.9	Very high	41 Å²	41	80.8 Å²	80.8	19%	0.192	40%	0.4	C	S	.	.	H	α-helix	trans	-63.4	-46.3	177.1	168.6	55.5	-167.1	0	0	111.7	A270 M276 S277 A278 R283 P285 S286 Y287	A270-E274 WeakPolarHBondContact O-CB 3.18Å; A270-E274 PolarHBondContact O-N 2.96Å; E274-M276 PolarHBondContact O-N 3.42Å; E274-S277 PolarHBondContact O-N 3.07Å; E274-A278 WeakPolarHBondContact O-CB 3.29Å; E274-A278 PolarHBondContact O-N 2.88Å; E274-R283 IonicContact OE1-CZ 3.4Å; E274-R283 IonicContact OE1-NH1 2.65Å; E274-R283 PolarHBondContact OE1-NH1 3.12Å; E274-R283 IonicContact OE1-NH2 3.27Å; E274-R283 PolarHBondContact OE1-NH2 3.18Å; E274-R283 IonicContact OE2-CZ 3.67Å; E274-R283 IonicContact OE2-NH1 3.68Å; E274-R283 IonicContact OE2-NH2 2.76Å; E274-R283 PolarHBondContact OE2-NH2 3.44Å; E274-P285 HydrophobicContact CG-CB 4.23Å; E274-P285 VanDerWaalsContact OE1-CA 3.3Å; E274-P285 WeakPolarHBondContact OE1-CA 3.44Å; E274-S286 PolarHBondContact OE1-N 3.13Å; E274-Y287 HydrophobicContact CG-CD1 4.39Å
275	G	97.7	Very high	97.8	Very high	16 Å²	16	77 Å²	77	17%	0.165	39%	0.392	C	S	.	.	H	α-helix	trans	-59.4	-47.3	179.2	0	0	0	0	0	112.7	D271 Q272 F279	D271-G275 PolarHBondContact O-N 3.39Å; Q272-G275 PolarHBondContact O-N 2.89Å; G275-F279 WeakPolarHBondContact O-CB 3.38Å; G275-F279 PolarHBondContact O-N 3.04Å
276	M	98.3	Very high	97.7	Very high	103 Å²	103	79 Å²	79	51%	0.507	41%	0.406	S	S	.	.	H	α-helix	trans	-68.8	-41.2	177.4	-69.2	-164.2	-179.4	0	0	112.2	F267 Q272 E274 F279 V280	F267-M276 HydrophobicContact CE1-CE 4.41Å; F267-M276 HydrophobicContact CZ-CE 4.43Å; Q272-M276 HydrophobicContact CG-CE 4.41Å; Q272-M276 PolarHBondContact NE2-SD 3.24Å; Q272-M276 PolarHBondContact O-N 2.97Å; E274-M276 PolarHBondContact O-N 3.42Å; M276-F279 PolarHBondContact O-N 3.25Å; M276-V280 WeakPolarHBondContact O-CG2 3.47Å; M276-V280 PolarHBondContact O-N 3.41Å
277	S	98.4	Very high	97.6	Very high	44 Å²	44	81.3 Å²	81.3	31%	0.308	41%	0.413	S	S	.	.	H	α-helix	trans	-60.4	-47.9	175.8	-179	0	0	0	0	111.8	K273 E274 F279 V280 Q281	K273-S277 WeakPolarHBondContact O-CB 3.18Å; K273-S277 PolarHBondContact O-N 2.89Å; E274-S277 PolarHBondContact O-N 3.07Å; S277-F279 VanDerWaalsContact C-N 3.34Å; S277-F279 PolarHBondContact O-N 3.29Å; S277-V280 PolarHBondContact O-N 3.23Å; S277-Q281 WeakPolarHBondContact O-CB 3.11Å; S277-Q281 VanDerWaalsContact O-CG 3.25Å; S277-Q281 WeakPolarHBondContact O-CG 3.27Å; S277-Q281 PolarHBondContact O-N 2.98Å; S277-Q281 PolarHBondContact OG-NE2 3.16Å
278	A	98.2	Very high	97.3	Very high	0 Å²	0	80.7 Å²	80.7	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-61.6	-40.4	178.1	0	0	0	0	0	112.3	E274 Q281 K282 R283 P285	E274-A278 WeakPolarHBondContact O-CB 3.29Å; E274-A278 PolarHBondContact O-N 2.88Å; A278-Q281 CarbonylContact O-C 3.46Å; A278-Q281 PolarHBondContact O-N 3.08Å; A278-K282 PolarHBondContact O-N 3.07Å; A278-R283 HydrophobicContact CB-CG 3.97Å; A278-R283 PolarHBondContact O-N 2.73Å; A278-P285 HydrophobicContact CB-CB 3.76Å
279	F	97.9	Very high	96.8	Very high	174 Å²	174	77.3 Å²	77.3	76%	0.763	40%	0.4	S	S	*	.	H	α-helix	trans	-62.3	-48.7	176.2	-177.8	-97	0	0	0	112	G275 M276 S277 Q281 K282	G275-F279 WeakPolarHBondContact O-CB 3.38Å; G275-F279 PolarHBondContact O-N 3.04Å; M276-F279 PolarHBondContact O-N 3.25Å; S277-F279 VanDerWaalsContact C-N 3.34Å; S277-F279 PolarHBondContact O-N 3.29Å; F279-Q281 VanDerWaalsContact C-N 3.27Å; F279-Q281 PolarHBondContact O-N 2.83Å; F279-K282 PolarHBondContact O-N 3.26Å; F279-K282 VanDerWaalsContact O-N 3.15Å
280	V	98.3	Very high	96.2	Very high	118 Å²	118	80.6 Å²	80.6	72%	0.715	42%	0.423	S	S	*	.	H	α-helix	trans	-60.5	-39.1	176.7	171.8	0	0	0	0	111.3	M276 S277 K282	M276-V280 WeakPolarHBondContact O-CG2 3.47Å; M276-V280 PolarHBondContact O-N 3.41Å; S277-V280 PolarHBondContact O-N 3.23Å; V280-K282 VanDerWaalsContact C-N 3.31Å; V280-K282 PolarHBondContact O-N 3.15Å
281	Q	98	Very high	96.1	Very high	114 Å²	114	82.4 Å²	82.4	53%	0.533	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.8	179.9	-66.4	171.2	7.8	0	0	114.1	S277 A278 F279 R283	S277-Q281 WeakPolarHBondContact O-CB 3.11Å; S277-Q281 VanDerWaalsContact O-CG 3.25Å; S277-Q281 WeakPolarHBondContact O-CG 3.27Å; S277-Q281 PolarHBondContact O-N 2.98Å; S277-Q281 PolarHBondContact OG-NE2 3.16Å; A278-Q281 CarbonylContact O-C 3.46Å; A278-Q281 PolarHBondContact O-N 3.08Å; F279-Q281 VanDerWaalsContact C-N 3.27Å; F279-Q281 PolarHBondContact O-N 2.83Å; Q281-R283 VanDerWaalsContact C-N 3.27Å; Q281-R283 HydrophobicContact CB-CG 4.12Å; Q281-R283 PolarHBondContact O-N 3.09Å
282	K	97.4	Very high	96	Very high	200 Å²	200	86.6 Å²	86.6	87%	0.87	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	37.9	-176.6	-55.3	-178	-179.3	178	0	114.1	A278 F279 V280	A278-K282 PolarHBondContact O-N 3.07Å; F279-K282 PolarHBondContact O-N 3.26Å; F279-K282 VanDerWaalsContact O-N 3.15Å; V280-K282 VanDerWaalsContact C-N 3.31Å; V280-K282 PolarHBondContact O-N 3.15Å
283	R	97.8	Very high	95.9	Very high	98 Å²	98	89.8 Å²	89.8	37%	0.37	47%	0.465	S	S	.	.	S	Bend	trans	-115.3	165.5	173.4	64.6	174.7	-179.5	78.4	1.9	110.9	E274 A278 Q281	E274-R283 IonicContact OE1-CZ 3.4Å; E274-R283 IonicContact OE1-NH1 2.65Å; E274-R283 PolarHBondContact OE1-NH1 3.12Å; E274-R283 IonicContact OE1-NH2 3.27Å; E274-R283 PolarHBondContact OE1-NH2 3.18Å; E274-R283 IonicContact OE2-CZ 3.67Å; E274-R283 IonicContact OE2-NH1 3.68Å; E274-R283 IonicContact OE2-NH2 2.76Å; E274-R283 PolarHBondContact OE2-NH2 3.44Å; A278-R283 HydrophobicContact CB-CG 3.97Å; A278-R283 PolarHBondContact O-N 2.73Å; Q281-R283 VanDerWaalsContact C-N 3.27Å; Q281-R283 HydrophobicContact CB-CG 4.12Å; Q281-R283 PolarHBondContact O-N 3.09Å
284	K	96	Very high	95.7	Very high	190 Å²	190	87.7 Å²	87.7	83%	0.826	46%	0.461	S	S	*	.			trans	-71.2	136.5	170.6	-67.4	-179.5	-179.8	176.6	0	109.5
285	P	96.9	Very high	95.6	Very high	51 Å²	51	90.6 Å²	90.6	33%	0.331	48%	0.477	S	S	.	.			trans	-72.3	150.4	174	29.7	-33.8	0	0	0	111.2	E274 A278 Y287	E274-P285 HydrophobicContact CG-CB 4.23Å; E274-P285 VanDerWaalsContact OE1-CA 3.3Å; E274-P285 WeakPolarHBondContact OE1-CA 3.44Å; A278-P285 HydrophobicContact CB-CB 3.76Å; P285-Y287 HydrophobicContact CB-CD1 4.32Å; P285-Y287 HydrophobicContact CB-CD2 4.46Å; P285-Y287 HydrophobicContact CB-CE1 3.76Å; P285-Y287 HydrophobicContact CB-CE2 3.92Å; P285-Y287 HydrophobicContact CG-CD2 4.36Å; P285-Y287 HydrophobicContact CG-CE1 4.22Å; P285-Y287 HydrophobicContact CG-CE2 3.55Å; P285-Y287 VanDerWaalsContact CG-CZ 3.47Å; P285-Y287 WeakPolarHBondContact CG-OH 3.13Å
286	S	96.2	Very high	95.4	Very high	96 Å²	96	95.6 Å²	95.6	67%	0.671	50%	0.498	S	S	*	.			trans	-115.8	89.3	170.8	178	0	0	0	0	109.7	E274	E274-S286 PolarHBondContact OE1-N 3.13Å
287	Y	96.3	Very high	95.2	Very high	69 Å²	69	95.1 Å²	95.1	27%	0.271	50%	0.497	S	S	.	.			trans	-73.1	132.3	-178.3	-61.2	-54.8	0	0	0	112.3	S233 D271 E274 P285	S233-Y287 VanDerWaalsContact N-CD2 3.26Å; D271-Y287 HydrophobicContact CB-CD1 3.67Å; D271-Y287 HydrophobicContact CB-CE1 4.29Å; D271-Y287 HydrophobicContact CB-CG 4.47Å; D271-Y287 WeakPolarHBondContact O-CE1 3.47Å; D271-Y287 WeakPolarHBondContact OD1-CA 3.38Å; D271-Y287 WeakPolarHBondContact OD1-CB 3.39Å; E274-Y287 HydrophobicContact CG-CD1 4.39Å; P285-Y287 HydrophobicContact CB-CD1 4.32Å; P285-Y287 HydrophobicContact CB-CD2 4.46Å; P285-Y287 HydrophobicContact CB-CE1 3.76Å; P285-Y287 HydrophobicContact CB-CE2 3.92Å; P285-Y287 HydrophobicContact CG-CD2 4.36Å; P285-Y287 HydrophobicContact CG-CE1 4.22Å; P285-Y287 HydrophobicContact CG-CE2 3.55Å; P285-Y287 VanDerWaalsContact CG-CZ 3.47Å; P285-Y287 WeakPolarHBondContact CG-OH 3.13Å
288	S	92	Very high	95	Very high	85 Å²	85	99 Å²	99	59%	0.594	51%	0.512	S	S	*	.			trans	-86.5	-14.6	172.6	56.4	0	0	0	0	112.6	D271 S290	D271-S288 PolarHBondContact OD1-N 2.76Å; D271-S288 PolarHBondContact OD1-OG 2.94Å; S288-S290 PolarHBondContact OG-OG 2.81Å
289	G	86.8	Confident	94.7	Very high	21 Å²	21	107.3 Å²	107.3	22%	0.216	56%	0.555	C	S	.	*			trans	84.1	22.4	-177	0	0	0	0	0	113.9	D271	D271-G289 PolarHBondContact OD1-N 3.31Å; D271-G289 VanDerWaalsContact OD1-N 3.16Å; D271-G289 WeakPolarHBondContact OD2-CA 3.25Å; D271-G289 PolarHBondContact OD2-N 3.41Å
290	S	83.2	Confident	94.4	Very high	71 Å²	71	101.2 Å²	101.2	50%	0.497	54%	0.536	S	S	.	.			trans	-136.8	0	-174.4	63.2	0	0	0	0	112.7	T269 A270 D271 S288	T269-S290 WeakPolarHBondContact CA-OXT 3.36Å; T269-S290 VanDerWaalsContact CB-OXT 3.25Å; T269-S290 WeakPolarHBondContact CB-OXT 3.22Å; A270-S290 CarbonylContact C-O 3.59Å; A270-S290 WeakPolarHBondContact CA-O 3.13Å; A270-S290 VanDerWaalsContact CB-O 3.3Å; A270-S290 WeakPolarHBondContact CB-O 3.32Å; A270-S290 PolarHBondContact N-O 3.31Å; D271-S290 PolarHBondContact N-O 3.43Å; D271-S290 PolarHBondContact OD2-N 2.59Å; S288-S290 PolarHBondContact OG-OG 2.81Å

Retrieved 290 of 290 residues in 696.5 ms (Link to these results)

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