A0A060WBT1_ONCMY Loading...

Leucine rich repeat neuronal 1

AlphaFold DB , UniProt , Accession A0A060WBT1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 720 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	33.3	Very low	238 Å²	238	175.5 Å²	175.5	100%	1.172	88%	0.878	S	S	*	*				0	115.1	0	-67.8	171.6	-179.9	0	0	106.2
2	A	25.8	Very low	33.9	Very low	91 Å²	91	167 Å²	167	75%	0.752	87%	0.867	S	S	*	*				72.6	122.5	62.6	0	0	0	0	0	112.5
3	R	27.5	Very low	34.3	Very low	253 Å²	253	168.4 Å²	168.4	96%	0.955	87%	0.867	S	S	*	*			trans	68.9	127.7	178.8	-54.3	170.6	174.4	170.5	-3.4	114
4	G	28.3	Very low	35	Very low	72 Å²	72	166.6 Å²	166.6	74%	0.742	86%	0.859	S	S	*	*			cis	117.9	108	0.5	0	0	0	0	0	112
5	R	31	Very low	35.5	Very low	244 Å²	244	168.7 Å²	168.7	92%	0.921	86%	0.859	S	S	*	*			trans	176.7	80.4	156.6	-102.7	171.9	-177.4	-164.2	0.4	110.1
6	F	31.2	Very low	35.7	Very low	221 Å²	221	164.4 Å²	164.4	97%	0.969	86%	0.857	S	S	*	*			trans	-146.8	65.8	153	-105.3	-77.1	0	0	0	108
7	I	39.9	Very low	35.8	Very low	133 Å²	133	159.3 Å²	159.3	68%	0.682	85%	0.854	S	S	*	*			trans	-105.3	154.5	164.3	-63.2	176.3	0	0	0	105.7
8	Y	37.6	Very low	36.4	Very low	219 Å²	219	158.8 Å²	158.8	86%	0.859	85%	0.85	S	S	*	*	S	Bend	trans	82.1	63.2	-178.4	-47.8	-69.6	0	0	0	116.2
9	C	37.5	Very low	36.8	Very low	127 Å²	127	158.3 Å²	158.3	86%	0.858	85%	0.846	S	S	*	*	S	Bend	trans	-163.9	-12.5	142.3	-118.9	0	0	0	0	115.5
10	L	37	Very low	37	Very low	168 Å²	168	159.1 Å²	159.1	88%	0.88	85%	0.849	S	S	*	*	S	Bend	trans	-115.2	13.2	-169.8	-95	157.8	0	0	0	116.4
11	L	37.7	Very low	37	Very low	165 Å²	165	156.6 Å²	156.6	86%	0.864	85%	0.851	S	S	*	*	S	Bend	trans	-119.4	16.9	177.2	-95.1	158.2	0	0	0	113.4
12	G	40.8	Very low	37.7	Very low	73 Å²	73	149.4 Å²	149.4	75%	0.753	82%	0.824	S	S	*	*	S	Bend	trans	-113.9	6.9	-176.5	0	0	0	0	0	116
13	Q	38.4	Very low	38.7	Very low	185 Å²	185	152.4 Å²	152.4	86%	0.864	83%	0.832	S	S	*	*	S	Bend	trans	-122.9	13.3	-178.3	-74.3	-168.3	-31.5	0	0	114.3
14	L	43.7	Very low	39.3	Very low	143 Å²	143	143.7 Å²	143.7	75%	0.749	82%	0.821	S	S	*	*	S	Bend	trans	-99.4	12.1	-175.1	-116.1	163.8	0	0	0	115
15	F	42.6	Very low	39.6	Very low	198 Å²	198	148.6 Å²	148.6	87%	0.868	83%	0.83	S	S	*	*	S	Bend	trans	-139.1	13	-177.9	-100.4	-79.2	0	0	0	116.1
16	A	39.3	Very low	39.7	Very low	100 Å²	100	142.1 Å²	142.1	83%	0.826	82%	0.822	S	S	*	*	S	Bend	trans	-125.1	23.8	-179.4	0	0	0	0	0	113.9
17	G	38	Very low	39.9	Very low	78 Å²	78	136.4 Å²	136.4	80%	0.804	81%	0.809	S	S	*	*	S	Bend	trans	-118.9	30.4	-178.9	0	0	0	0	0	114.2
18	L	46.2	Very low	39.7	Very low	150 Å²	150	137.2 Å²	137.2	79%	0.785	81%	0.813	S	S	*	*	S	Bend	trans	-127.4	13.3	-164.2	-120.5	165.4	0	0	0	115.3
19	I	44.2	Very low	39.8	Very low	149 Å²	149	134.8 Å²	134.8	76%	0.764	81%	0.81	S	S	*	*	S	Bend	trans	-131.1	-4.8	-176.4	-66.3	-175.3	0	0	0	114.5
20	L	40.9	Very low	39.9	Very low	174 Å²	174	138 Å²	138	91%	0.911	80%	0.804	S	S	*	*	S	Bend	trans	-126.7	56.8	178.5	-73.3	173.1	0	0	0	113.3
21	A	37.4	Very low	40.2	Very low	107 Å²	107	136.1 Å²	136.1	88%	0.884	80%	0.795	S	S	*	*			trans	-131.3	21.1	161.4	0	0	0	0	0	111.8
22	S	46.2	Very low	41.1	Very low	87 Å²	87	135.1 Å²	135.1	61%	0.608	79%	0.79	S	S	*	*	S	Bend	trans	-90.3	146.8	163.4	48.2	0	0	0	0	109.3
23	V	48.3	Very low	42.4	Very low	154 Å²	154	136.7 Å²	136.7	93%	0.933	78%	0.778	S	S	*	*	S	Bend	trans	69.1	84.4	-174.3	-163.3	0	0	0	0	113.1
24	G	40	Very low	44.5	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	75%	0.752	S	S	*	*	S	Bend	trans	-166.2	-19.1	-177.9	0	0	0	0	0	118.1
25	L	33.9	Very low	46.5	Very low	175 Å²	175	124 Å²	124	92%	0.916	72%	0.721	S	S	*	*			trans	-131.6	104.7	156.2	-86.8	106.5	0	0	0	108	S27	L25-S27 PolarHBondContact O-N 3.04Å; L25-S27 VanDerWaalsContact O-N 3.13Å
26	S	33.7	Very low	48.3	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	72%	0.72	S	S	*	*			trans	-58.7	112.6	162.2	47.6	0	0	0	0	108.1	I28	S26-I28 PolarHBondContact O-N 3.28Å; S26-I28 VanDerWaalsContact O-N 3.09Å
27	S	35.3	Very low	50.6	Low	100 Å²	100	124.3 Å²	124.3	70%	0.699	71%	0.711	S	S	*	*			trans	-43.1	117.6	152.2	50.6	0	0	0	0	108.1	L25 Q29	L25-S27 PolarHBondContact O-N 3.04Å; L25-S27 VanDerWaalsContact O-N 3.13Å; S27-Q29 PolarHBondContact O-N 3.02Å
28	I	36	Very low	53.2	Low	150 Å²	150	121.3 Å²	121.3	77%	0.769	68%	0.678	S	S	*	*			trans	-63.1	108.7	164.3	-66.9	171	0	0	0	104.8	S26 R30	S26-I28 PolarHBondContact O-N 3.28Å; S26-I28 VanDerWaalsContact O-N 3.09Å; I28-R30 VanDerWaalsContact C-N 3.29Å; I28-R30 PolarHBondContact O-N 3.27Å
29	Q	39	Very low	55.4	Low	169 Å²	169	117.9 Å²	117.9	79%	0.79	66%	0.663	S	S	*	*			trans	-61.8	98.3	165.6	-77	171.3	-104	0	0	106.8	S27	S27-Q29 PolarHBondContact O-N 3.02Å
30	R	40.3	Very low	57.7	Low	194 Å²	194	113.3 Å²	113.3	73%	0.732	64%	0.643	S	S	*	*			trans	-79.6	131.2	144.7	-75.2	-173.6	172.5	-159.3	-5.8	105.9	I28	I28-R30 VanDerWaalsContact C-N 3.29Å; I28-R30 PolarHBondContact O-N 3.27Å
31	D	41.7	Very low	60.1	Low	129 Å²	129	109.4 Å²	109.4	69%	0.69	62%	0.621	S	S	*	*			trans	-62.8	167.4	178.7	-76.4	-60.5	0	0	0	111.6	E33	D31-E33 PolarHBondContact O-N 3.04Å
32	N	57	Low	62.7	Low	143 Å²	143	109.7 Å²	109.7	77%	0.765	61%	0.606	S	S	*	*	S	Bend	trans	-64.6	82.3	-170	-64.3	-51.4	0	0	0	113.7	N71	N32-N71 PolarHBondContact O-ND2 3.21Å
33	E	67.6	Low	64.8	Low	107 Å²	107	108.9 Å²	108.9	50%	0.5	59%	0.59	S	S	.	*			trans	-111.1	9.7	176.2	-69.1	-174.2	-172.4	0	0	114.2	D31 S73	D31-E33 PolarHBondContact O-N 3.04Å; E33-S73 VanDerWaalsContact OE2-CB 3.23Å; E33-S73 WeakPolarHBondContact OE2-CB 3.41Å; E33-S73 PolarHBondContact OE2-OG 3.42Å
34	C	82.4	Confident	66.7	Low	47 Å²	47	105.7 Å²	105.7	32%	0.318	57%	0.572	S	S	.	*	S	Bend	trans	-101.7	129.5	171	-166.3	0	0	0	0	110.9	C40	C34-C40 WeakPolarHBondContact CA-SG 3.41Å; C34-C40 HydrophobicContact CB-CB 3.77Å; C34-C40 WeakPolarHBondContact CB-SG 3.39Å; C34-C40 WeakPolarHBondContact SG-CB 3.48Å; C34-C40 PolarHBondContact SG-N 3.17Å; C34-C40 VanDerWaalsContact SG-N 3.38Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.15Å
35	P	86.5	Confident	69	Low	14 Å²	14	103.5 Å²	103.5	9%	0.091	54%	0.542	C	S	.	.			trans	-59.9	137.6	174.3	-22.6	32.6	0	0	0	112	L37 C38 P69 L72	P35-L37 PolarHBondContact O-N 3.02Å; P35-C38 HydrophobicContact CB-CB 4.21Å; P35-C38 HydrophobicContact CG-CB 4.48Å; P35-C38 PolarHBondContact O-N 2.9Å; P35-P69 HydrophobicContact CB-CB 3.6Å; P35-P69 HydrophobicContact CB-CG 4.31Å; P35-P69 HydrophobicContact CG-CB 3.8Å; P35-L72 HydrophobicContact CG-CD2 3.64Å
36	Q	81.3	Confident	71.5	Confident	183 Å²	183	100.8 Å²	100.8	86%	0.855	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-20.9	-171	-70.8	-74.3	-72.5	0	0	116.3
37	L	86.3	Confident	73.9	Confident	122 Å²	122	96.1 Å²	96.1	64%	0.639	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-11.6	-179.8	-61	176.5	0	0	0	113.2	P35 L63	P35-L37 PolarHBondContact O-N 3.02Å; L37-L63 HydrophobicContact CB-CD1 3.9Å; L37-L63 HydrophobicContact CB-CD2 4.45Å; L37-L63 WeakPolarHBondContact O-CD1 3.5Å
38	C	92.1	Very high	76.1	Confident	14 Å²	14	91.8 Å²	91.8	10%	0.095	46%	0.459	C	S	.	.	S	Bend	trans	-102.9	162.8	-174.5	-56.3	0	0	0	0	111.7	P35 V58 D59 C60	P35-C38 HydrophobicContact CB-CB 4.21Å; P35-C38 HydrophobicContact CG-CB 4.48Å; P35-C38 PolarHBondContact O-N 2.9Å; C38-V58 HydrophobicContact CB-CG1 4.19Å; C38-D59 CarbonylContact C-O 3.3Å; C38-D59 VanDerWaalsContact CA-O 3.27Å; C38-D59 WeakPolarHBondContact CA-O 3.45Å; C38-D59 VanDerWaalsContact CB-O 3.26Å; C38-D59 WeakPolarHBondContact CB-O 3.33Å; C38-C60 HydrophobicContact CB-CB 4.13Å; C38-C60 WeakPolarHBondContact CB-SG 3.45Å; C38-C60 WeakPolarHBondContact SG-CB 3.44Å; C38-C60 CovalentContact SG-SG 2.04Å; C38-C60 PolarHBondContact SG-SG 3.4Å
39	V	93.1	Very high	78.4	Confident	79 Å²	79	89.5 Å²	89.5	48%	0.479	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.3	174.8	-178.9	0	0	0	0	108.8	D59	V39-D59 HydrophobicContact CB-CB 4.36Å; V39-D59 PolarHBondContact N-O 3Å; V39-D59 PolarHBondContact O-N 3.26Å
40	C	92.3	Very high	80.6	Confident	52 Å²	52	86.2 Å²	86.2	35%	0.351	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.4	177.9	-48.6	0	0	0	0	109.8	C34 T57 V58	C34-C40 WeakPolarHBondContact CA-SG 3.41Å; C34-C40 HydrophobicContact CB-CB 3.77Å; C34-C40 WeakPolarHBondContact CB-SG 3.39Å; C34-C40 WeakPolarHBondContact SG-CB 3.48Å; C34-C40 PolarHBondContact SG-N 3.17Å; C34-C40 VanDerWaalsContact SG-N 3.38Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.15Å; C40-T57 WeakPolarHBondContact CA-O 3.41Å; C40-V58 HydrophobicContact CB-CG2 4.34Å
41	E	91.9	Very high	82.9	Confident	93 Å²	93	80.5 Å²	80.5	44%	0.435	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	168.7	-178.7	67.4	-174	157.6	0	0	111.8	R43 T57	E41-R43 HydrophobicContact CG-CG 3.78Å; E41-R43 IonicContact OE1-CZ 3.36Å; E41-R43 IonicContact OE1-NE 3.85Å; E41-R43 PolarHBondContact OE1-NE 2.96Å; E41-R43 IonicContact OE1-NH2 2.67Å; E41-R43 PolarHBondContact OE1-NH2 3.08Å; E41-T57 PolarHBondContact N-O 3.45Å; E41-T57 PolarHBondContact O-N 3.24Å; E41-T57 VanDerWaalsContact O-O 3.13Å
42	I	91.8	Very high	85.2	Confident	113 Å²	113	80.1 Å²	80.1	58%	0.579	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	115	174.1	-60.6	175.3	0	0	0	107.6	E54 A55 T56	I42-E54 HydrophobicContact CG2-CB 3.86Å; I42-A55 CarbonylContact C-O 3.13Å; I42-A55 VanDerWaalsContact CA-O 3.31Å; I42-A55 WeakPolarHBondContact CA-O 3.48Å; I42-T56 HydrophobicContact CG1-CG2 4.29Å
43	R	90.3	Very high	86.7	Confident	69 Å²	69	80.3 Å²	80.3	26%	0.26	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	151.5	-179.7	-64	-168.6	173.7	159.7	3.1	111.7	E41 W45 E54 A55 D59	E41-R43 HydrophobicContact CG-CG 3.78Å; E41-R43 IonicContact OE1-CZ 3.36Å; E41-R43 IonicContact OE1-NE 3.85Å; E41-R43 PolarHBondContact OE1-NE 2.96Å; E41-R43 IonicContact OE1-NH2 2.67Å; E41-R43 PolarHBondContact OE1-NH2 3.08Å; R43-W45 PolarHBondContact O-N 3.36Å; R43-E54 WeakPolarHBondContact O-CA 3.47Å; R43-A55 PolarHBondContact N-O 3.29Å; R43-A55 PolarHBondContact O-N 3.36Å; R43-D59 IonicContact CZ-OD2 2.77Å; R43-D59 VanDerWaalsContact CZ-OD2 3.24Å; R43-D59 IonicContact NH1-OD2 3.18Å; R43-D59 PolarHBondContact NH1-OD2 3.45Å; R43-D59 IonicContact NH2-OD2 2.77Å; R43-D59 PolarHBondContact NH2-OD2 3.08Å
44	P	87.9	Confident	87.7	Confident	88 Å²	88	81.2 Å²	81.2	57%	0.571	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.4	125.7	157.6	-26.6	37.3	0	0	0	110.5	Y52	P44-Y52 HydrophobicContact CB-CE2 3.86Å; P44-Y52 HydrophobicContact CG-CE2 4.44Å
45	W	88.9	Confident	88.1	Confident	24 Å²	24	79 Å²	79	9%	0.091	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.7	176.9	176.9	71	0	0	0	109.3	R43 T47 R53 A55 V78 E101	R43-W45 PolarHBondContact O-N 3.36Å; W45-T47 HydrophobicContact CE3-CG2 4.41Å; W45-T47 HydrophobicContact CH2-CG2 3.86Å; W45-T47 HydrophobicContact CZ3-CG2 3.65Å; W45-R53 HydrophobicContact CE3-CB 4.07Å; W45-R53 PolarHBondContact N-O 2.87Å; W45-R53 CarbonylContact O-C 3.58Å; W45-R53 PolarHBondContact O-N 2.93Å; W45-A55 HydrophobicContact CB-CB 3.65Å; W45-A55 HydrophobicContact CD2-CB 4.42Å; W45-A55 HydrophobicContact CE3-CB 4.46Å; W45-A55 HydrophobicContact CG-CB 4.09Å; W45-V78 HydrophobicContact CG-CG2 4.26Å; W45-E101 PolarHBondContact NE1-OE2 2.88Å
46	F	85.9	Confident	88.4	Confident	117 Å²	117	80.1 Å²	80.1	51%	0.513	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.8	177.3	-68.5	-91.3	0	0	0	108.9	T51 Y52	F46-T51 WeakPolarHBondContact CA-O 3.18Å; F46-Y52 HydrophobicContact CE1-CD2 4.15Å; F46-Y52 AromaticContact CZ-CD2 3.97Å; F46-Y52 HydrophobicContact CZ-CD2 3.97Å
47	T	83.4	Confident	89	Confident	11 Å²	11	71.8 Å²	71.8	7%	0.067	37%	0.365	C	S	.	.			trans	-61.9	161.8	171.1	67.5	0	0	0	0	110.8	W45 Q49 S50 T51 R53	W45-T47 HydrophobicContact CE3-CG2 4.41Å; W45-T47 HydrophobicContact CH2-CG2 3.86Å; W45-T47 HydrophobicContact CZ3-CG2 3.65Å; T47-Q49 PolarHBondContact O-N 2.94Å; T47-Q49 PolarHBondContact OG1-N 3.11Å; T47-Q49 PolarHBondContact OG1-OE1 3.29Å; T47-S50 WeakPolarHBondContact O-CA 3.37Å; T47-S50 PolarHBondContact O-N 2.85Å; T47-T51 PolarHBondContact N-O 3.24Å; T47-T51 WeakPolarHBondContact OG1-CB 3.39Å; T47-T51 PolarHBondContact OG1-N 2.58Å; T47-R53 HydrophobicContact CG2-CG 4.38Å
48	P	82.5	Confident	89.4	Confident	9 Å²	9	66.3 Å²	66.3	6%	0.058	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-16	171.1	-32.8	40	0	0	0	115.9	Q148 E149 R173	P48-Q148 HydrophobicContact CB-CB 4.14Å; P48-Q148 HydrophobicContact CG-CB 4.1Å; P48-E149 HydrophobicContact CB-CG 4Å; P48-E149 WeakPolarHBondContact CB-OE1 3.43Å; P48-E149 HydrophobicContact CG-CG 4.07Å; P48-R173 PolarHBondContact O-NH1 2.89Å
49	Q	83.5	Confident	89.6	Confident	103 Å²	103	67.2 Å²	67.2	48%	0.481	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	22.2	171.4	-54.4	77	19.8	0	0	113.1	T47 T51	T47-Q49 PolarHBondContact O-N 2.94Å; T47-Q49 PolarHBondContact OG1-N 3.11Å; T47-Q49 PolarHBondContact OG1-OE1 3.29Å; Q49-T51 PolarHBondContact O-N 2.97Å; Q49-T51 VanDerWaalsContact O-N 3.12Å
50	S	86.3	Confident	89.7	Confident	99 Å²	99	63.4 Å²	63.4	69%	0.692	32%	0.318	S	S	*	.			trans	55.1	27.3	-180	-50.7	0	0	0	0	115	T47	T47-S50 WeakPolarHBondContact O-CA 3.37Å; T47-S50 PolarHBondContact O-N 2.85Å
51	T	87.9	Confident	89.8	Confident	75 Å²	75	62.4 Å²	62.4	46%	0.46	31%	0.309	S	S	.	.			trans	-91.2	122.4	178.5	-58.3	0	0	0	0	110.4	F46 T47 Q49	F46-T51 WeakPolarHBondContact CA-O 3.18Å; T47-T51 PolarHBondContact N-O 3.24Å; T47-T51 WeakPolarHBondContact OG1-CB 3.39Å; T47-T51 PolarHBondContact OG1-N 2.58Å; Q49-T51 PolarHBondContact O-N 2.97Å; Q49-T51 VanDerWaalsContact O-N 3.12Å
52	Y	89.7	Confident	90	Very high	121 Å²	121	63.4 Å²	63.4	48%	0.475	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	134.3	176.4	177.6	-83.9	0	0	0	111.9	P44 F46 E54	P44-Y52 HydrophobicContact CB-CE2 3.86Å; P44-Y52 HydrophobicContact CG-CE2 4.44Å; F46-Y52 HydrophobicContact CE1-CD2 4.15Å; F46-Y52 AromaticContact CZ-CD2 3.97Å; F46-Y52 HydrophobicContact CZ-CD2 3.97Å; Y52-E54 HydrophobicContact CE1-CG 4.1Å; Y52-E54 PolarHBondContact OH-OE1 3.23Å; Y52-E54 VanDerWaalsContact OH-OE1 3.05Å
53	R	88.8	Confident	90.1	Very high	146 Å²	146	60.8 Å²	60.8	55%	0.551	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	170.8	168.8	-65.8	-171.7	178.4	-170.9	2	109.4	W45 T47	W45-R53 HydrophobicContact CE3-CB 4.07Å; W45-R53 PolarHBondContact N-O 2.87Å; W45-R53 CarbonylContact O-C 3.58Å; W45-R53 PolarHBondContact O-N 2.93Å; T47-R53 HydrophobicContact CG2-CG 4.38Å
54	E	89.7	Confident	90.3	Very high	126 Å²	126	65.9 Å²	65.9	59%	0.589	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	132.2	166.9	-74.2	170.1	-167.9	0	0	107.4	I42 R43 Y52	I42-E54 HydrophobicContact CG2-CB 3.86Å; R43-E54 WeakPolarHBondContact O-CA 3.47Å; Y52-E54 HydrophobicContact CE1-CG 4.1Å; Y52-E54 PolarHBondContact OH-OE1 3.23Å; Y52-E54 VanDerWaalsContact OH-OE1 3.05Å
55	A	90.3	Very high	90.6	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.1	-176.2	0	0	0	0	0	111.9	I42 R43 W45 T57 Q77 V78	I42-A55 CarbonylContact C-O 3.13Å; I42-A55 VanDerWaalsContact CA-O 3.31Å; I42-A55 WeakPolarHBondContact CA-O 3.48Å; R43-A55 PolarHBondContact N-O 3.29Å; R43-A55 PolarHBondContact O-N 3.36Å; W45-A55 HydrophobicContact CB-CB 3.65Å; W45-A55 HydrophobicContact CD2-CB 4.42Å; W45-A55 HydrophobicContact CE3-CB 4.46Å; W45-A55 HydrophobicContact CG-CB 4.09Å; A55-T57 PolarHBondContact O-N 3.08Å; A55-Q77 VanDerWaalsContact CA-OE1 3.29Å; A55-Q77 HydrophobicContact CB-CB 4.21Å; A55-V78 HydrophobicContact CB-CG2 3.81Å
56	T	92.6	Very high	90.7	Very high	38 Å²	38	66.4 Å²	66.4	23%	0.233	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	102.7	171.8	37.2	0	0	0	0	109.6	I42 D75 Q77 V78	I42-T56 HydrophobicContact CG1-CG2 4.29Å; T56-D75 WeakPolarHBondContact CB-O 3.46Å; T56-D75 PolarHBondContact OG1-O 3.12Å; T56-Q77 PolarHBondContact O-N 3.49Å; T56-Q77 WeakPolarHBondContact OG1-CB 3.38Å; T56-Q77 WeakPolarHBondContact OG1-CG 3.39Å; T56-Q77 PolarHBondContact OG1-N 3.36Å; T56-V78 PolarHBondContact O-N 3.18Å
57	T	94.1	Very high	91	Very high	7 Å²	7	66.9 Å²	66.9	4%	0.043	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.2	-177	-53.1	0	0	0	0	111.2	C40 E41 A55 V78 L80	C40-T57 WeakPolarHBondContact CA-O 3.41Å; E41-T57 PolarHBondContact N-O 3.45Å; E41-T57 PolarHBondContact O-N 3.24Å; E41-T57 VanDerWaalsContact O-O 3.13Å; A55-T57 PolarHBondContact O-N 3.08Å; T57-V78 CarbonylContact C-O 3.3Å; T57-V78 WeakPolarHBondContact CA-O 3.13Å; T57-V78 HydrophobicContact CG2-CB 4.08Å; T57-V78 HydrophobicContact CG2-CG1 3.98Å; T57-L80 HydrophobicContact CG2-CD1 3.99Å; T57-L80 HydrophobicContact CG2-CG 4.22Å
58	V	94.8	Very high	91.3	Very high	8 Å²	8	66.4 Å²	66.4	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117	165.6	179.6	0	0	0	0	108.2	C38 C40 L72 T76 V78 L79 L80	C38-V58 HydrophobicContact CB-CG1 4.19Å; C40-V58 HydrophobicContact CB-CG2 4.34Å; V58-L72 HydrophobicContact CG1-CD2 3.86Å; V58-T76 HydrophobicContact CB-CG2 4.17Å; V58-T76 HydrophobicContact CG2-CG2 3.68Å; V58-V78 PolarHBondContact N-O 3.22Å; V58-L79 HydrophobicContact CB-CD1 3.98Å; V58-L79 HydrophobicContact CG1-CD1 4.02Å; V58-L80 PolarHBondContact O-N 3.42Å
59	D	95.1	Very high	91.5	Very high	32 Å²	32	66.9 Å²	66.9	17%	0.171	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.1	-175.9	-171.1	-19.5	0	0	0	110	C38 V39 R43 N61	C38-D59 CarbonylContact C-O 3.3Å; C38-D59 VanDerWaalsContact CA-O 3.27Å; C38-D59 WeakPolarHBondContact CA-O 3.45Å; C38-D59 VanDerWaalsContact CB-O 3.26Å; C38-D59 WeakPolarHBondContact CB-O 3.33Å; V39-D59 HydrophobicContact CB-CB 4.36Å; V39-D59 PolarHBondContact N-O 3Å; V39-D59 PolarHBondContact O-N 3.26Å; R43-D59 IonicContact CZ-OD2 2.77Å; R43-D59 VanDerWaalsContact CZ-OD2 3.24Å; R43-D59 IonicContact NH1-OD2 3.18Å; R43-D59 PolarHBondContact NH1-OD2 3.45Å; R43-D59 IonicContact NH2-OD2 2.77Å; R43-D59 PolarHBondContact NH2-OD2 3.08Å; D59-N61 WeakPolarHBondContact OD1-CB 3.49Å; D59-N61 PolarHBondContact OD1-N 3.38Å; D59-N61 PolarHBondContact OD1-ND2 3.26Å
60	C	95.2	Very high	91.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.32	C	S	.	.			trans	-124	31.1	-175.9	-66.5	0	0	0	0	112	C38 L63 L65 L80 L81 N84	C38-C60 HydrophobicContact CB-CB 4.13Å; C38-C60 WeakPolarHBondContact CB-SG 3.45Å; C38-C60 WeakPolarHBondContact SG-CB 3.44Å; C38-C60 CovalentContact SG-SG 2.04Å; C38-C60 PolarHBondContact SG-SG 3.4Å; C60-L63 HydrophobicContact CB-CD1 4.01Å; C60-L65 HydrophobicContact CB-CD1 3.96Å; C60-L80 WeakPolarHBondContact CA-O 3.21Å; C60-L80 WeakPolarHBondContact CB-O 3.46Å; C60-L80 PolarHBondContact N-O 3.38Å; C60-L81 HydrophobicContact CB-CD2 3.5Å; C60-L81 HydrophobicContact CB-CG 4.33Å; C60-N84 PolarHBondContact O-ND2 3.02Å
61	N	95.4	Very high	91.2	Very high	30 Å²	30	64.3 Å²	64.3	16%	0.16	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	144.3	-169.5	-61.9	-27.5	0	0	0	113.8	D59 L63 L80 L81 Q82	D59-N61 WeakPolarHBondContact OD1-CB 3.49Å; D59-N61 PolarHBondContact OD1-N 3.38Å; D59-N61 PolarHBondContact OD1-ND2 3.26Å; N61-L63 PolarHBondContact O-N 3.35Å; N61-L80 WeakPolarHBondContact ND2-CB 3.35Å; N61-L80 WeakPolarHBondContact OD1-CB 3.23Å; N61-L80 PolarHBondContact OD1-O 3.34Å; N61-L81 PolarHBondContact OD1-N 2.87Å; N61-Q82 WeakPolarHBondContact CA-O 3.39Å; N61-Q82 HydrophobicContact CB-CG 3.8Å; N61-Q82 PolarHBondContact ND2-NE2 3.15Å; N61-Q82 WeakPolarHBondContact OD1-CG 3.38Å; N61-Q82 PolarHBondContact OD1-N 3.19Å
62	D	95.3	Very high	91.1	Very high	115 Å²	115	61.8 Å²	61.8	62%	0.615	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38	-178.7	-169.6	27.8	0	0	0	114.3	Q82	D62-Q82 PolarHBondContact N-O 2.79Å; D62-Q82 VanDerWaalsContact N-O 3.14Å
63	L	94.8	Very high	90.9	Very high	57 Å²	57	57.1 Å²	57.1	30%	0.298	28%	0.284	S	S	.	.	S	Bend	trans	-99.1	2.3	-179.3	-67.9	-178.3	0	0	0	113.4	L37 C60 N61 L65 N84	L37-L63 HydrophobicContact CB-CD1 3.9Å; L37-L63 HydrophobicContact CB-CD2 4.45Å; L37-L63 WeakPolarHBondContact O-CD1 3.5Å; C60-L63 HydrophobicContact CB-CD1 4.01Å; N61-L63 PolarHBondContact O-N 3.35Å; L63-L65 HydrophobicContact CB-CD1 3.96Å; L63-L65 HydrophobicContact CB-CD2 4.18Å; L63-L65 HydrophobicContact CB-CG 3.68Å; L63-L65 HydrophobicContact CD1-CD1 4.2Å; L63-L65 PolarHBondContact O-N 3.33Å; L63-N84 PolarHBondContact N-OD1 3.47Å
64	R	94.5	Very high	90.8	Very high	176 Å²	176	53.2 Å²	53.2	66%	0.664	28%	0.28	S	S	*	.			trans	56	31.4	-176.9	-55.7	-177.2	-178.4	-174	-0.6	113.4	N84 Y85	R64-N84 PolarHBondContact N-OD1 3.48Å; R64-Y85 HydrophobicContact CB-CD2 3.87Å; R64-Y85 HydrophobicContact CB-CE2 3.66Å; R64-Y85 HydrophobicContact CG-CD2 4.44Å; R64-Y85 HydrophobicContact CG-CE2 3.75Å
65	L	92.8	Very high	90.7	Very high	21 Å²	21	50.9 Å²	50.9	11%	0.11	27%	0.271	C	S	.	.			trans	-67.8	134.1	-178.2	-61.9	170.5	0	0	0	110.4	C60 L63 P69 L81 N84 Y85 I86	C60-L65 HydrophobicContact CB-CD1 3.96Å; L63-L65 HydrophobicContact CB-CD1 3.96Å; L63-L65 HydrophobicContact CB-CD2 4.18Å; L63-L65 HydrophobicContact CB-CG 3.68Å; L63-L65 HydrophobicContact CD1-CD1 4.2Å; L63-L65 PolarHBondContact O-N 3.33Å; L65-P69 HydrophobicContact CD1-CG 3.92Å; L65-P69 HydrophobicContact CD2-CG 4.37Å; L65-L81 HydrophobicContact CD1-CD2 3.92Å; L65-N84 HydrophobicContact CB-CB 4.28Å; L65-N84 WeakPolarHBondContact CB-OD1 3.36Å; L65-N84 PolarHBondContact N-OD1 3.38Å; L65-Y85 CarbonylContact O-C 3.2Å; L65-Y85 VanDerWaalsContact O-CA 3.31Å; L65-Y85 WeakPolarHBondContact O-CA 3.4Å; L65-Y85 PolarHBondContact O-N 2.88Å; L65-I86 HydrophobicContact CB-CG1 4.41Å; L65-I86 WeakPolarHBondContact O-CG1 3.2Å; L65-I86 PolarHBondContact O-N 2.92Å
66	T	92.8	Very high	90.7	Very high	103 Å²	103	51 Å²	51	63%	0.632	27%	0.272	S	S	*	.	S	Bend	trans	-97.4	-10.3	172.4	52	0	0	0	0	113
67	R	90.8	Very high	90.8	Very high	126 Å²	126	52.4 Å²	52.4	48%	0.475	28%	0.276	S	S	.	.	S	Bend	trans	-151.8	158	176.1	59.4	175.8	-73.6	-98.5	0.4	109.7	E92	R67-E92 IonicContact CZ-OE1 2.77Å; R67-E92 IonicContact NE-OE1 2.68Å; R67-E92 IonicContact NH2-OE1 3.45Å; R67-E92 PolarHBondContact NH2-OE1 3.1Å
68	I	90.3	Very high	90.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.6	136.7	174.4	-59.1	180	0	0	0	109.3	L72 L81 I86 T89 E92 L93	I68-L72 HydrophobicContact CG2-CD1 3.71Å; I68-L81 HydrophobicContact CD1-CD1 4.11Å; I68-L81 HydrophobicContact CG1-CD1 3.91Å; I68-L81 HydrophobicContact CG2-CD1 4.43Å; I68-I86 HydrophobicContact CG1-CD1 4.16Å; I68-T89 HydrophobicContact CD1-CG2 3.74Å; I68-T89 HydrophobicContact CG1-CG2 4.49Å; I68-E92 HydrophobicContact CG2-CB 4.35Å; I68-L93 HydrophobicContact CD1-CD1 4.09Å; I68-L93 HydrophobicContact CD1-CD2 3.75Å; I68-L93 HydrophobicContact CD1-CG 3.69Å
69	P	87.1	Confident	90.8	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.123	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-63.8	136.9	174.3	-20.5	33.7	0	0	0	111	P35 L65	P35-P69 HydrophobicContact CB-CB 3.6Å; P35-P69 HydrophobicContact CB-CG 4.31Å; P35-P69 HydrophobicContact CG-CB 3.8Å; L65-P69 HydrophobicContact CD1-CG 3.92Å; L65-P69 HydrophobicContact CD2-CG 4.37Å
70	G	81.3	Confident	90.9	Very high	35 Å²	35	51.5 Å²	51.5	36%	0.361	27%	0.27	S	S	.	.	S	Bend	trans	-74.2	168.5	173.4	0	0	0	0	0	112.4
71	N	81.3	Confident	90.9	Very high	113 Å²	113	51.5 Å²	51.5	60%	0.604	27%	0.27	S	S	*	.			trans	64.7	44.4	178.5	-162.5	81.4	0	0	0	113.3	N32	N32-N71 PolarHBondContact O-ND2 3.21Å
72	L	86.9	Confident	90.9	Very high	22 Å²	22	53.5 Å²	53.5	12%	0.115	28%	0.279	C	S	.	.			trans	-78.6	139.5	166.8	-65.6	171.7	0	0	0	109.8	P35 V58 I68 L79 L96	P35-L72 HydrophobicContact CG-CD2 3.64Å; V58-L72 HydrophobicContact CG1-CD2 3.86Å; I68-L72 HydrophobicContact CG2-CD1 3.71Å; L72-L79 HydrophobicContact CD1-CD1 4.43Å; L72-L79 HydrophobicContact CD1-CD2 4.13Å; L72-L96 HydrophobicContact CB-CD2 3.97Å; L72-L96 HydrophobicContact CD1-CD1 3.96Å
73	S	86.3	Confident	91	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.161	26%	0.262	C	S	.	.			trans	-70.6	137.3	177.1	-166.3	0	0	0	0	111.2	E33 D75 T76	E33-S73 VanDerWaalsContact OE2-CB 3.23Å; E33-S73 WeakPolarHBondContact OE2-CB 3.41Å; E33-S73 PolarHBondContact OE2-OG 3.42Å; S73-D75 PolarHBondContact O-N 3.32Å; S73-D75 VanDerWaalsContact O-N 3.14Å; S73-T76 WeakPolarHBondContact O-CB 3.4Å; S73-T76 PolarHBondContact O-N 3.28Å; S73-T76 PolarHBondContact O-OG1 3.37Å
74	S	85.3	Confident	91.1	Very high	65 Å²	65	47.2 Å²	47.2	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.8	177.6	56.8	0	0	0	0	113.8	T76	S74-T76 PolarHBondContact O-N 3.13Å
75	D	87.6	Confident	91.2	Very high	77 Å²	77	45.3 Å²	45.3	41%	0.412	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.8	174.9	-75.7	-4	0	0	0	113.1	T56 S73 Q77	T56-D75 WeakPolarHBondContact CB-O 3.46Å; T56-D75 PolarHBondContact OG1-O 3.12Å; S73-D75 PolarHBondContact O-N 3.32Å; S73-D75 VanDerWaalsContact O-N 3.14Å; D75-Q77 PolarHBondContact O-N 3.48Å
76	T	91.4	Very high	91.3	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.025	24%	0.237	C	C	.	.			trans	-65.1	126.1	179.9	-55.7	0	0	0	0	111.4	V58 S73 S74 V78 L79 N98 L99	V58-T76 HydrophobicContact CB-CG2 4.17Å; V58-T76 HydrophobicContact CG2-CG2 3.68Å; S73-T76 WeakPolarHBondContact O-CB 3.4Å; S73-T76 PolarHBondContact O-N 3.28Å; S73-T76 PolarHBondContact O-OG1 3.37Å; S74-T76 PolarHBondContact O-N 3.13Å; T76-V78 WeakPolarHBondContact CG2-O 3.39Å; T76-L79 HydrophobicContact CG2-CB 4.42Å; T76-N98 CarbonylContact O-C 3.59Å; T76-L99 HydrophobicContact CG2-CD1 4Å
77	Q	93	Very high	91.4	Very high	66 Å²	66	41.5 Å²	41.5	31%	0.308	22%	0.224	S	C	.	.			trans	-105.6	-34.6	178.9	-74	174.4	-27.9	0	0	112.6	A55 T56 D75 L99 T100 E101	A55-Q77 VanDerWaalsContact CA-OE1 3.29Å; A55-Q77 HydrophobicContact CB-CB 4.21Å; T56-Q77 PolarHBondContact O-N 3.49Å; T56-Q77 WeakPolarHBondContact OG1-CB 3.38Å; T56-Q77 WeakPolarHBondContact OG1-CG 3.39Å; T56-Q77 PolarHBondContact OG1-N 3.36Å; D75-Q77 PolarHBondContact O-N 3.48Å; Q77-L99 WeakPolarHBondContact O-CD1 3.3Å; Q77-T100 PolarHBondContact O-N 2.94Å; Q77-T100 PolarHBondContact O-OG1 3.08Å; Q77-E101 PolarHBondContact O-N 2.84Å
78	V	95.1	Very high	91.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.6	178.1	-177.5	0	0	0	0	108.7	W45 A55 T56 T57 V58 T76 L80 E101	W45-V78 HydrophobicContact CG-CG2 4.26Å; A55-V78 HydrophobicContact CB-CG2 3.81Å; T56-V78 PolarHBondContact O-N 3.18Å; T57-V78 CarbonylContact C-O 3.3Å; T57-V78 WeakPolarHBondContact CA-O 3.13Å; T57-V78 HydrophobicContact CG2-CB 4.08Å; T57-V78 HydrophobicContact CG2-CG1 3.98Å; V58-V78 PolarHBondContact N-O 3.22Å; T76-V78 WeakPolarHBondContact CG2-O 3.39Å; V78-L80 HydrophobicContact CG1-CD2 3.68Å; V78-L80 HydrophobicContact CG1-CG 4.07Å; V78-E101 WeakPolarHBondContact CA-O 3.29Å; V78-E101 HydrophobicContact CB-CB 4.49Å; V78-E101 HydrophobicContact CG1-CB 4.17Å; V78-E101 HydrophobicContact CG1-CG 4.28Å; V78-E101 HydrophobicContact CG2-CB 4.17Å
79	L	94.9	Very high	91.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.9	176.8	177.7	59.6	0	0	0	109.5	V58 L72 T76 L81 L93 L96 L99 E101 L102 D103	V58-L79 HydrophobicContact CB-CD1 3.98Å; V58-L79 HydrophobicContact CG1-CD1 4.02Å; L72-L79 HydrophobicContact CD1-CD1 4.43Å; L72-L79 HydrophobicContact CD1-CD2 4.13Å; T76-L79 HydrophobicContact CG2-CB 4.42Å; L79-L81 HydrophobicContact CD1-CD1 4.19Å; L79-L81 HydrophobicContact CD1-CG 4.21Å; L79-L81 HydrophobicContact CD2-CD1 3.82Å; L79-L81 HydrophobicContact CG-CD1 3.8Å; L79-L81 HydrophobicContact CG-CG 4.17Å; L79-L93 HydrophobicContact CD2-CD2 4.06Å; L79-L96 HydrophobicContact CD2-CD1 3.85Å; L79-L99 HydrophobicContact CB-CD1 3.71Å; L79-L99 HydrophobicContact CB-CD2 4.37Å; L79-E101 PolarHBondContact N-O 2.89Å; L79-L102 HydrophobicContact CB-CD1 4.16Å; L79-L102 HydrophobicContact CD2-CD1 4Å; L79-L102 HydrophobicContact CG-CD1 4.14Å; L79-D103 PolarHBondContact O-N 2.89Å
80	L	96.3	Very high	91	Very high	24 Å²	24	46.2 Å²	46.2	13%	0.126	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.6	-179.8	-47.7	176.1	0	0	0	109.9	T57 V58 C60 N61 V78 D103	T57-L80 HydrophobicContact CG2-CD1 3.99Å; T57-L80 HydrophobicContact CG2-CG 4.22Å; V58-L80 PolarHBondContact O-N 3.42Å; C60-L80 WeakPolarHBondContact CA-O 3.21Å; C60-L80 WeakPolarHBondContact CB-O 3.46Å; C60-L80 PolarHBondContact N-O 3.38Å; N61-L80 WeakPolarHBondContact ND2-CB 3.35Å; N61-L80 WeakPolarHBondContact OD1-CB 3.23Å; N61-L80 PolarHBondContact OD1-O 3.34Å; V78-L80 HydrophobicContact CG1-CD2 3.68Å; V78-L80 HydrophobicContact CG1-CG 4.07Å; L80-D103 HydrophobicContact CD2-CB 3.84Å
81	L	96	Very high	90.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.			trans	-133	22.6	-178.7	-72.2	159.9	0	0	0	111.7	C60 N61 L65 I68 L79 N84 I86 D103 L104 N107	C60-L81 HydrophobicContact CB-CD2 3.5Å; C60-L81 HydrophobicContact CB-CG 4.33Å; N61-L81 PolarHBondContact OD1-N 2.87Å; L65-L81 HydrophobicContact CD1-CD2 3.92Å; I68-L81 HydrophobicContact CD1-CD1 4.11Å; I68-L81 HydrophobicContact CG1-CD1 3.91Å; I68-L81 HydrophobicContact CG2-CD1 4.43Å; L79-L81 HydrophobicContact CD1-CD1 4.19Å; L79-L81 HydrophobicContact CD1-CG 4.21Å; L79-L81 HydrophobicContact CD2-CD1 3.82Å; L79-L81 HydrophobicContact CG-CD1 3.8Å; L79-L81 HydrophobicContact CG-CG 4.17Å; L81-N84 PolarHBondContact O-ND2 3.14Å; L81-I86 HydrophobicContact CB-CD1 4.34Å; L81-I86 HydrophobicContact CD1-CD1 4.36Å; L81-I86 HydrophobicContact CD2-CD1 4.1Å; L81-D103 WeakPolarHBondContact CA-O 3.5Å; L81-D103 WeakPolarHBondContact CB-O 3.06Å; L81-D103 PolarHBondContact N-O 2.84Å; L81-L104 HydrophobicContact CB-CD2 3.87Å; L81-L104 HydrophobicContact CD1-CD2 3.71Å; L81-L104 HydrophobicContact CG-CD2 4.45Å; L81-N107 PolarHBondContact O-ND2 2.98Å
82	Q	96.4	Very high	90.4	Very high	72 Å²	72	47.4 Å²	47.4	34%	0.336	24%	0.243	S	C	.	.			trans	-59.4	152.7	179.3	51.7	165.2	-13.8	0	0	113.2	N61 D62 N84 D103 S105	N61-Q82 WeakPolarHBondContact CA-O 3.39Å; N61-Q82 HydrophobicContact CB-CG 3.8Å; N61-Q82 PolarHBondContact ND2-NE2 3.15Å; N61-Q82 WeakPolarHBondContact OD1-CG 3.38Å; N61-Q82 PolarHBondContact OD1-N 3.19Å; D62-Q82 PolarHBondContact N-O 2.79Å; D62-Q82 VanDerWaalsContact N-O 3.14Å; Q82-N84 PolarHBondContact O-N 3.36Å; Q82-N84 PolarHBondContact O-ND2 3.08Å; Q82-D103 WeakPolarHBondContact CB-OD2 3.07Å; Q82-D103 WeakPolarHBondContact CG-OD2 3.38Å; Q82-S105 WeakPolarHBondContact CA-O 3.34Å; Q82-S105 VanDerWaalsContact CB-OG 3.23Å; Q82-S105 WeakPolarHBondContact CB-OG 3.49Å
83	S	97	Very high	90.3	Very high	37 Å²	37	46.5 Å²	46.5	26%	0.259	24%	0.238	S	C	.	.	S	Bend	trans	57.8	47.8	176	-43.7	0	0	0	0	113.3	S105 Q106	S83-S105 PolarHBondContact N-O 2.58Å; S83-Q106 WeakPolarHBondContact CA-O 3.33Å; S83-Q106 PolarHBondContact OG-OE1 2.88Å
84	N	96.7	Very high	89.9	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	25%	0.253	C	S	.	.	S	Bend	trans	-120.8	-174.1	178.8	-80.6	-66.5	0	0	0	111.3	C60 L63 R64 L65 L81 Q82 I86 Q106 N107	C60-N84 PolarHBondContact O-ND2 3.02Å; L63-N84 PolarHBondContact N-OD1 3.47Å; R64-N84 PolarHBondContact N-OD1 3.48Å; L65-N84 HydrophobicContact CB-CB 4.28Å; L65-N84 WeakPolarHBondContact CB-OD1 3.36Å; L65-N84 PolarHBondContact N-OD1 3.38Å; L81-N84 PolarHBondContact O-ND2 3.14Å; Q82-N84 PolarHBondContact O-N 3.36Å; Q82-N84 PolarHBondContact O-ND2 3.08Å; N84-I86 HydrophobicContact CB-CD1 4.47Å; N84-I86 HydrophobicContact CB-CG1 4.21Å; N84-Q106 PolarHBondContact N-O 3.22Å; N84-N107 WeakPolarHBondContact CB-OD1 3.47Å; N84-N107 PolarHBondContact O-OD1 3.16Å
85	Y	96.5	Very high	89.7	Confident	136 Å²	136	53 Å²	53	53%	0.533	26%	0.259	S	S	.	.			trans	-116.2	30.3	-179.7	-56.5	-50.7	0	0	0	111.9	R64 L65 A87	R64-Y85 HydrophobicContact CB-CD2 3.87Å; R64-Y85 HydrophobicContact CB-CE2 3.66Å; R64-Y85 HydrophobicContact CG-CD2 4.44Å; R64-Y85 HydrophobicContact CG-CE2 3.75Å; L65-Y85 CarbonylContact O-C 3.2Å; L65-Y85 VanDerWaalsContact O-CA 3.31Å; L65-Y85 WeakPolarHBondContact O-CA 3.4Å; L65-Y85 PolarHBondContact O-N 2.88Å; Y85-A87 PolarHBondContact O-N 2.69Å
86	I	95.2	Very high	89.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.			trans	-74.3	121.7	179.5	-52	175.1	0	0	0	107.8	L65 I68 L81 N84 N107 N108 F109	L65-I86 HydrophobicContact CB-CG1 4.41Å; L65-I86 WeakPolarHBondContact O-CG1 3.2Å; L65-I86 PolarHBondContact O-N 2.92Å; I68-I86 HydrophobicContact CG1-CD1 4.16Å; L81-I86 HydrophobicContact CB-CD1 4.34Å; L81-I86 HydrophobicContact CD1-CD1 4.36Å; L81-I86 HydrophobicContact CD2-CD1 4.1Å; N84-I86 HydrophobicContact CB-CD1 4.47Å; N84-I86 HydrophobicContact CB-CG1 4.21Å; I86-N107 VanDerWaalsContact CB-OD1 3.28Å; I86-N107 WeakPolarHBondContact CB-OD1 3.31Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.22Å; I86-N107 PolarHBondContact N-OD1 3.22Å; I86-N108 CarbonylContact O-C 3.22Å; I86-N108 WeakPolarHBondContact O-CA 3.49Å; I86-N108 PolarHBondContact O-N 2.83Å; I86-F109 HydrophobicContact CB-CE2 4.29Å; I86-F109 HydrophobicContact CB-CZ 4.12Å; I86-F109 HydrophobicContact CG2-CE1 4.14Å; I86-F109 HydrophobicContact CG2-CE2 4.21Å; I86-F109 HydrophobicContact CG2-CZ 3.54Å
87	A	94.4	Very high	89.2	Confident	44 Å²	44	55.7 Å²	55.7	36%	0.364	27%	0.267	S	S	.	.			trans	-103.7	-21	176.9	0	0	0	0	0	112.9	Y85 N108 F109	Y85-A87 PolarHBondContact O-N 2.69Å; A87-N108 WeakPolarHBondContact CA-O 3.27Å; A87-N108 HydrophobicContact CB-CB 4.28Å; A87-F109 WeakPolarHBondContact O-CD1 3.47Å
88	R	93.3	Very high	89	Confident	172 Å²	172	56.2 Å²	56.2	65%	0.649	27%	0.272	S	S	*	.			trans	-156.9	143.3	179.7	176.7	166.7	177.1	-178.5	1.9	110.5	D114	R88-D114 CarbonylContact C-O 3.51Å; R88-D114 VanDerWaalsContact CA-O 3.29Å; R88-D114 WeakPolarHBondContact CA-O 3.38Å; R88-D114 HydrophobicContact CB-CB 4.05Å; R88-D114 HydrophobicContact CG-CB 4.13Å
89	T	89	Confident	88.9	Confident	9 Å²	9	56.1 Å²	56.1	6%	0.055	27%	0.271	C	S	.	.			trans	-94.1	161.3	170.1	67.8	0	0	0	0	111	I68 L93 F109 D114 V115 G116	I68-T89 HydrophobicContact CD1-CG2 3.74Å; I68-T89 HydrophobicContact CG1-CG2 4.49Å; T89-L93 HydrophobicContact CG2-CD1 3.87Å; T89-F109 HydrophobicContact CG2-CE1 3.86Å; T89-F109 HydrophobicContact CG2-CZ 3.74Å; T89-D114 PolarHBondContact N-O 2.93Å; T89-D114 PolarHBondContact OG1-O 2.78Å; T89-V115 WeakPolarHBondContact CG2-O 3.1Å; T89-V115 PolarHBondContact OG1-O 2.96Å; T89-G116 WeakPolarHBondContact OG1-CA 3.38Å; T89-G116 PolarHBondContact OG1-N 2.87Å
90	S	76.6	Confident	88.8	Confident	63 Å²	63	57.3 Å²	57.3	44%	0.441	28%	0.278	S	S	.	.			trans	-125.6	-169.4	173.3	30.1	0	0	0	0	109.1	E92 L93	S90-E92 WeakPolarHBondContact CA-OE2 3.48Å; S90-E92 WeakPolarHBondContact CB-OE2 3.35Å; S90-E92 PolarHBondContact N-OE2 3.32Å; S90-E92 PolarHBondContact O-N 3.45Å; S90-E92 VanDerWaalsContact OG-CD 3.31Å; S90-E92 PolarHBondContact OG-OE1 2.88Å; S90-E92 PolarHBondContact OG-OE2 3.15Å; S90-L93 PolarHBondContact O-N 2.98Å
91	E	74.1	Confident	88.8	Confident	141 Å²	141	57.8 Å²	57.8	66%	0.659	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-2.5	-173.4	-60.3	172.2	-169.9	0	0	114.9	L93 E94	E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.03Å; E91-E94 PolarHBondContact O-N 2.71Å
92	E	76.9	Confident	88.8	Confident	33 Å²	33	57.8 Å²	57.8	15%	0.154	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.6	176.2	-60.4	93.5	162.2	0	0	113.7	R67 I68 S90	R67-E92 IonicContact CZ-OE1 2.77Å; R67-E92 IonicContact NE-OE1 2.68Å; R67-E92 IonicContact NH2-OE1 3.45Å; R67-E92 PolarHBondContact NH2-OE1 3.1Å; I68-E92 HydrophobicContact CG2-CB 4.35Å; S90-E92 WeakPolarHBondContact CA-OE2 3.48Å; S90-E92 WeakPolarHBondContact CB-OE2 3.35Å; S90-E92 PolarHBondContact N-OE2 3.32Å; S90-E92 PolarHBondContact O-N 3.45Å; S90-E92 VanDerWaalsContact OG-CD 3.31Å; S90-E92 PolarHBondContact OG-OE1 2.88Å; S90-E92 PolarHBondContact OG-OE2 3.15Å
93	L	83.4	Confident	88.8	Confident	2 Å²	2	55 Å²	55	1%	0.01	27%	0.267	C	S	.	.	S	Bend	trans	-75.5	-29.2	176.4	-73.6	-178	0	0	0	113.1	I68 L79 T89 S90 E91 Q95 L96 L102 V115	I68-L93 HydrophobicContact CD1-CD1 4.09Å; I68-L93 HydrophobicContact CD1-CD2 3.75Å; I68-L93 HydrophobicContact CD1-CG 3.69Å; L79-L93 HydrophobicContact CD2-CD2 4.06Å; T89-L93 HydrophobicContact CG2-CD1 3.87Å; S90-L93 PolarHBondContact O-N 2.98Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.03Å; L93-Q95 PolarHBondContact O-N 3.47Å; L93-Q95 VanDerWaalsContact O-N 3.08Å; L93-L96 HydrophobicContact CD2-CD1 4.09Å; L93-L96 PolarHBondContact O-N 3.02Å; L93-L96 VanDerWaalsContact O-N 3.11Å; L93-L102 HydrophobicContact CD1-CD2 4.24Å; L93-L102 HydrophobicContact CD2-CD1 4.5Å; L93-L102 HydrophobicContact CD2-CD2 4.47Å; L93-V115 WeakPolarHBondContact CD1-O 3.17Å
94	E	78.9	Confident	88.8	Confident	104 Å²	104	53.3 Å²	53.3	49%	0.486	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.5	-177.4	-62.9	-176.4	-161.5	0	0	113	E91 F97	E91-E94 PolarHBondContact O-N 2.71Å; E94-F97 WeakPolarHBondContact O-CE1 3.34Å; E94-F97 VanDerWaalsContact O-CZ 3.28Å; E94-F97 WeakPolarHBondContact O-CZ 3.48Å
95	Q	80.4	Confident	88.9	Confident	122 Å²	122	53.5 Å²	53.5	57%	0.57	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.4	-178.6	-57.2	-179.7	15.4	0	0	113	L93 F97	L93-Q95 PolarHBondContact O-N 3.47Å; L93-Q95 VanDerWaalsContact O-N 3.08Å; Q95-F97 WeakPolarHBondContact O-CD2 3.27Å; Q95-F97 WeakPolarHBondContact O-CE2 3.3Å; Q95-F97 PolarHBondContact O-N 3.4Å
96	L	86.3	Confident	88.9	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.031	25%	0.248	C	C	.	.			trans	-97.5	59.4	-172.9	-56.6	-178.4	0	0	0	112.2	L72 L79 L93 N98 L99	L72-L96 HydrophobicContact CB-CD2 3.97Å; L72-L96 HydrophobicContact CD1-CD1 3.96Å; L79-L96 HydrophobicContact CD2-CD1 3.85Å; L93-L96 HydrophobicContact CD2-CD1 4.09Å; L93-L96 PolarHBondContact O-N 3.02Å; L93-L96 VanDerWaalsContact O-N 3.11Å; L96-N98 PolarHBondContact O-N 2.64Å; L96-N98 VanDerWaalsContact O-N 3.08Å; L96-L99 HydrophobicContact CB-CB 4.23Å; L96-L99 WeakPolarHBondContact O-CB 3.34Å; L96-L99 PolarHBondContact O-N 2.89Å; L96-L99 VanDerWaalsContact O-N 3.13Å
97	F	83.3	Confident	89	Confident	131 Å²	131	51 Å²	51	58%	0.575	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.3	-174.1	-51.9	-73.9	0	0	0	115.1	E94 Q95 Q122	E94-F97 WeakPolarHBondContact O-CE1 3.34Å; E94-F97 VanDerWaalsContact O-CZ 3.28Å; E94-F97 WeakPolarHBondContact O-CZ 3.48Å; Q95-F97 WeakPolarHBondContact O-CD2 3.27Å; Q95-F97 WeakPolarHBondContact O-CE2 3.3Å; Q95-F97 PolarHBondContact O-N 3.4Å; F97-Q122 VanDerWaalsContact O-CG 3.25Å; F97-Q122 WeakPolarHBondContact O-CG 3.44Å
98	N	88.3	Confident	89.2	Confident	77 Å²	77	51.9 Å²	51.9	41%	0.412	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	5.6	-178	-72.5	-21.7	0	0	0	113.9	T76 L96 T100	T76-N98 CarbonylContact O-C 3.59Å; L96-N98 PolarHBondContact O-N 2.64Å; L96-N98 VanDerWaalsContact O-N 3.08Å; N98-T100 PolarHBondContact O-N 2.85Å
99	L	92.3	Very high	89.3	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.218	C	C	.	.			trans	-68.2	121	-175.7	-159.7	75.4	0	0	0	111.4	T76 Q77 L79 L96 L102 M120 Q122 L123	T76-L99 HydrophobicContact CG2-CD1 4Å; Q77-L99 WeakPolarHBondContact O-CD1 3.3Å; L79-L99 HydrophobicContact CB-CD1 3.71Å; L79-L99 HydrophobicContact CB-CD2 4.37Å; L96-L99 HydrophobicContact CB-CB 4.23Å; L96-L99 WeakPolarHBondContact O-CB 3.34Å; L96-L99 PolarHBondContact O-N 2.89Å; L96-L99 VanDerWaalsContact O-N 3.13Å; L99-L102 HydrophobicContact CD2-CB 3.83Å; L99-L102 HydrophobicContact CD2-CD1 4.16Å; L99-L102 HydrophobicContact CD2-CD2 4.36Å; L99-L102 HydrophobicContact CD2-CG 4.34Å; L99-M120 HydrophobicContact CB-CE 4.37Å; L99-M120 HydrophobicContact CD2-CE 3.54Å; L99-Q122 CarbonylContact O-C 3.58Å; L99-Q122 VanDerWaalsContact O-C 3.3Å; L99-L123 HydrophobicContact CD2-CD1 4.21Å; L99-L123 HydrophobicContact CG-CD1 4.3Å; L99-L123 WeakPolarHBondContact O-CA 3.25Å; L99-L123 PolarHBondContact O-N 2.99Å
100	T	94.1	Very high	89.6	Confident	24 Å²	24	45.8 Å²	45.8	15%	0.147	23%	0.233	C	C	.	.			trans	-100.9	-30.4	177.6	53.3	0	0	0	0	112.5	Q77 N98 T124 T125	Q77-T100 PolarHBondContact O-N 2.94Å; Q77-T100 PolarHBondContact O-OG1 3.08Å; N98-T100 PolarHBondContact O-N 2.85Å; T100-T124 PolarHBondContact O-N 3.31Å; T100-T124 PolarHBondContact O-OG1 3.19Å; T100-T124 VanDerWaalsContact O-OG1 3.05Å; T100-T125 PolarHBondContact O-N 3.14Å; T100-T125 VanDerWaalsContact O-N 3.13Å
101	E	95.7	Very high	90.5	Very high	34 Å²	34	43.9 Å²	43.9	16%	0.159	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.2	-180	-176.1	167.7	113.3	0	0	110.9	W45 Q77 V78 L79 T125	W45-E101 PolarHBondContact NE1-OE2 2.88Å; Q77-E101 PolarHBondContact O-N 2.84Å; V78-E101 WeakPolarHBondContact CA-O 3.29Å; V78-E101 HydrophobicContact CB-CB 4.49Å; V78-E101 HydrophobicContact CG1-CB 4.17Å; V78-E101 HydrophobicContact CG1-CG 4.28Å; V78-E101 HydrophobicContact CG2-CB 4.17Å; L79-E101 PolarHBondContact N-O 2.89Å; E101-T125 WeakPolarHBondContact CA-O 3.46Å; E101-T125 HydrophobicContact CG-CG2 4.08Å
102	L	95.7	Very high	91.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.3	178.3	177.3	56.6	0	0	0	109.1	L79 L93 L99 L104 L117 M120 L123 T125 L126 H127	L79-L102 HydrophobicContact CB-CD1 4.16Å; L79-L102 HydrophobicContact CD2-CD1 4Å; L79-L102 HydrophobicContact CG-CD1 4.14Å; L93-L102 HydrophobicContact CD1-CD2 4.24Å; L93-L102 HydrophobicContact CD2-CD1 4.5Å; L93-L102 HydrophobicContact CD2-CD2 4.47Å; L99-L102 HydrophobicContact CD2-CB 3.83Å; L99-L102 HydrophobicContact CD2-CD1 4.16Å; L99-L102 HydrophobicContact CD2-CD2 4.36Å; L99-L102 HydrophobicContact CD2-CG 4.34Å; L102-L104 HydrophobicContact CD1-CD1 4.19Å; L102-L104 HydrophobicContact CD1-CD2 4.43Å; L102-L104 HydrophobicContact CD1-CG 3.94Å; L102-L104 HydrophobicContact CD2-CD1 3.83Å; L102-L104 HydrophobicContact CD2-CG 4.42Å; L102-L104 HydrophobicContact CG-CD1 3.97Å; L102-L104 HydrophobicContact CG-CG 4.01Å; L102-L117 HydrophobicContact CD2-CD2 3.89Å; L102-M120 HydrophobicContact CD2-CE 4.17Å; L102-L123 HydrophobicContact CB-CD1 3.79Å; L102-T125 PolarHBondContact N-O 3.01Å; L102-T125 VanDerWaalsContact N-O 3.16Å; L102-L126 HydrophobicContact CB-CD1 4.16Å; L102-L126 HydrophobicContact CD2-CD1 4.1Å; L102-L126 HydrophobicContact CG-CD1 4.14Å; L102-H127 PolarHBondContact O-N 3.34Å
103	D	97.3	Very high	92	Very high	15 Å²	15	41.4 Å²	41.4	8%	0.08	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.6	174.6	175.3	16.3	0	0	0	111.6	L79 L80 L81 Q82 S105 H127	L79-D103 PolarHBondContact O-N 2.89Å; L80-D103 HydrophobicContact CD2-CB 3.84Å; L81-D103 WeakPolarHBondContact CA-O 3.5Å; L81-D103 WeakPolarHBondContact CB-O 3.06Å; L81-D103 PolarHBondContact N-O 2.84Å; Q82-D103 WeakPolarHBondContact CB-OD2 3.07Å; Q82-D103 WeakPolarHBondContact CG-OD2 3.38Å; D103-S105 VanDerWaalsContact OD1-CB 3.24Å; D103-S105 WeakPolarHBondContact OD1-CB 3.41Å; D103-S105 PolarHBondContact OD1-N 2.81Å; D103-S105 PolarHBondContact OD1-OG 2.82Å; D103-H127 HydrophobicContact CB-CB 4.21Å
104	L	96.9	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.			trans	-121	24.3	175.8	-69.9	171.1	0	0	0	111.1	L81 L102 N107 F109 V115 H127 L128 N131	L81-L104 HydrophobicContact CB-CD2 3.87Å; L81-L104 HydrophobicContact CD1-CD2 3.71Å; L81-L104 HydrophobicContact CG-CD2 4.45Å; L102-L104 HydrophobicContact CD1-CD1 4.19Å; L102-L104 HydrophobicContact CD1-CD2 4.43Å; L102-L104 HydrophobicContact CD1-CG 3.94Å; L102-L104 HydrophobicContact CD2-CD1 3.83Å; L102-L104 HydrophobicContact CD2-CG 4.42Å; L102-L104 HydrophobicContact CG-CD1 3.97Å; L102-L104 HydrophobicContact CG-CG 4.01Å; L104-N107 PolarHBondContact O-ND2 2.88Å; L104-F109 HydrophobicContact CB-CE2 3.97Å; L104-F109 HydrophobicContact CD1-CE2 4.1Å; L104-F109 HydrophobicContact CD1-CZ 4.15Å; L104-F109 HydrophobicContact CD2-CE2 4.01Å; L104-F109 HydrophobicContact CD2-CZ 4.22Å; L104-F109 HydrophobicContact CG-CE2 4.27Å; L104-V115 HydrophobicContact CD1-CG1 3.58Å; L104-H127 CarbonylContact C-O 3.56Å; L104-H127 WeakPolarHBondContact CA-O 3.22Å; L104-H127 PolarHBondContact N-O 2.85Å; L104-L128 HydrophobicContact CB-CD2 3.93Å; L104-L128 HydrophobicContact CD1-CD2 4.36Å; L104-N131 PolarHBondContact O-ND2 3.29Å
105	S	97.9	Very high	92.9	Very high	8 Å²	8	38.4 Å²	38.4	6%	0.056	20%	0.195	C	C	.	.			trans	-61.9	158	176.3	62.1	0	0	0	0	112.4	Q82 S83 D103 N107 E129	Q82-S105 WeakPolarHBondContact CA-O 3.34Å; Q82-S105 VanDerWaalsContact CB-OG 3.23Å; Q82-S105 WeakPolarHBondContact CB-OG 3.49Å; S83-S105 PolarHBondContact N-O 2.58Å; D103-S105 VanDerWaalsContact OD1-CB 3.24Å; D103-S105 WeakPolarHBondContact OD1-CB 3.41Å; D103-S105 PolarHBondContact OD1-N 2.81Å; D103-S105 PolarHBondContact OD1-OG 2.82Å; S105-N107 VanDerWaalsContact C-N 3.33Å; S105-N107 PolarHBondContact O-N 2.86Å; S105-N107 PolarHBondContact O-ND2 2.04Å; S105-E129 CarbonylContact C-O 3.52Å; S105-E129 VanDerWaalsContact CA-O 3.23Å; S105-E129 WeakPolarHBondContact CA-O 3.22Å
106	Q	97.6	Very high	93.1	Very high	75 Å²	75	33.8 Å²	33.8	35%	0.35	18%	0.18	S	C	.	.	S	Bend	trans	50.4	49.4	176.9	-63.4	178	14.2	0	0	113.3	S83 N84 E129 E130	S83-Q106 WeakPolarHBondContact CA-O 3.33Å; S83-Q106 PolarHBondContact OG-OE1 2.88Å; N84-Q106 PolarHBondContact N-O 3.22Å; Q106-E129 PolarHBondContact N-O 2.77Å; Q106-E130 WeakPolarHBondContact CA-O 3.36Å; Q106-E130 HydrophobicContact CB-CB 4.38Å; Q106-E130 HydrophobicContact CG-CB 3.6Å; Q106-E130 HydrophobicContact CG-CG 4.16Å; Q106-E130 PolarHBondContact NE2-OE1 3.41Å
107	N	97.4	Very high	93.1	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.048	18%	0.183	C	C	.	.	S	Bend	trans	-121.1	-165.3	177.7	-89.5	-86.6	0	0	0	110.6	L81 N84 I86 L104 S105 F109 N131	L81-N107 PolarHBondContact O-ND2 2.98Å; N84-N107 WeakPolarHBondContact CB-OD1 3.47Å; N84-N107 PolarHBondContact O-OD1 3.16Å; I86-N107 VanDerWaalsContact CB-OD1 3.28Å; I86-N107 WeakPolarHBondContact CB-OD1 3.31Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.22Å; I86-N107 PolarHBondContact N-OD1 3.22Å; L104-N107 PolarHBondContact O-ND2 2.88Å; S105-N107 VanDerWaalsContact C-N 3.33Å; S105-N107 PolarHBondContact O-N 2.86Å; S105-N107 PolarHBondContact O-ND2 2.04Å; N107-F109 HydrophobicContact CB-CD2 3.87Å; N107-F109 HydrophobicContact CB-CE2 3.94Å; N107-N131 WeakPolarHBondContact CA-OD1 3.07Å; N107-N131 VanDerWaalsContact CB-OD1 3.28Å; N107-N131 WeakPolarHBondContact CB-OD1 3.48Å; N107-N131 PolarHBondContact N-OD1 2.76Å; N107-N131 PolarHBondContact O-OD1 3.29Å
108	N	97	Very high	93.1	Very high	62 Å²	62	31.2 Å²	31.2	33%	0.332	18%	0.175	S	C	.	.			trans	-117.5	29.3	-174.9	-156.4	97.9	0	0	0	112.6	I86 A87 S110 N131 Q132	I86-N108 CarbonylContact O-C 3.22Å; I86-N108 WeakPolarHBondContact O-CA 3.49Å; I86-N108 PolarHBondContact O-N 2.83Å; A87-N108 WeakPolarHBondContact CA-O 3.27Å; A87-N108 HydrophobicContact CB-CB 4.28Å; N108-S110 PolarHBondContact O-N 2.83Å; N108-N131 PolarHBondContact N-OD1 2.79Å; N108-Q132 PolarHBondContact OD1-NE2 2.86Å
109	F	96.8	Very high	92.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.			trans	-68.3	125.5	177.3	-68.6	-76.1	0	0	0	111.1	I86 A87 T89 L104 N107 D114 V115 N131 Q132 I133	I86-F109 HydrophobicContact CB-CE2 4.29Å; I86-F109 HydrophobicContact CB-CZ 4.12Å; I86-F109 HydrophobicContact CG2-CE1 4.14Å; I86-F109 HydrophobicContact CG2-CE2 4.21Å; I86-F109 HydrophobicContact CG2-CZ 3.54Å; A87-F109 WeakPolarHBondContact O-CD1 3.47Å; T89-F109 HydrophobicContact CG2-CE1 3.86Å; T89-F109 HydrophobicContact CG2-CZ 3.74Å; L104-F109 HydrophobicContact CB-CE2 3.97Å; L104-F109 HydrophobicContact CD1-CE2 4.1Å; L104-F109 HydrophobicContact CD1-CZ 4.15Å; L104-F109 HydrophobicContact CD2-CE2 4.01Å; L104-F109 HydrophobicContact CD2-CZ 4.22Å; L104-F109 HydrophobicContact CG-CE2 4.27Å; N107-F109 HydrophobicContact CB-CD2 3.87Å; N107-F109 HydrophobicContact CB-CE2 3.94Å; F109-D114 HydrophobicContact CD1-CB 4.16Å; F109-D114 WeakPolarHBondContact CE1-O 3.38Å; F109-V115 HydrophobicContact CB-CG2 4.38Å; F109-V115 HydrophobicContact CD1-CG2 3.83Å; F109-V115 HydrophobicContact CE1-CG2 4.25Å; F109-V115 HydrophobicContact CG-CG2 4.03Å; F109-N131 HydrophobicContact CB-CB 4.42Å; F109-N131 VanDerWaalsContact CD2-OD1 3.31Å; F109-N131 WeakPolarHBondContact CD2-OD1 3.09Å; F109-N131 PolarHBondContact N-OD1 3.02Å; F109-Q132 CarbonylContact O-C 3.1Å; F109-Q132 VanDerWaalsContact O-CA 3.27Å; F109-Q132 WeakPolarHBondContact O-CA 3.45Å; F109-Q132 WeakPolarHBondContact O-CB 3.35Å; F109-Q132 PolarHBondContact O-N 3.06Å; F109-I133 HydrophobicContact CB-CG1 4.34Å; F109-I133 PolarHBondContact O-N 3.06Å
110	S	94.9	Very high	92.5	Very high	53 Å²	53	33.5 Å²	33.5	37%	0.371	19%	0.187	S	C	.	.			trans	-102.4	-23.5	179.7	-59.4	0	0	0	0	113.9	N108 I133 T134	N108-S110 PolarHBondContact O-N 2.83Å; S110-I133 WeakPolarHBondContact O-CA 3.43Å; S110-T134 PolarHBondContact O-N 2.93Å
111	S	94.4	Very high	92.2	Very high	23 Å²	23	34.4 Å²	34.4	16%	0.161	20%	0.195	C	C	.	.	S	Bend	trans	-131.8	148.4	172.2	-173.5	0	0	0	0	110.3	H113 D114	S111-H113 PolarHBondContact O-N 2.64Å; S111-H113 PolarHBondContact OG-N 2.79Å; S111-D114 WeakPolarHBondContact CB-OD2 3.24Å; S111-D114 PolarHBondContact N-OD2 2.8Å; S111-D114 WeakPolarHBondContact O-CB 3.04Å; S111-D114 PolarHBondContact O-N 2.67Å; S111-D114 VanDerWaalsContact O-N 3.15Å
112	I	93	Very high	92	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.6	-27.1	172.7	-164.5	66.5	0	0	0	112.1	D114 V115 L128 I133 P137 C140 L141 I152	I112-D114 VanDerWaalsContact C-N 3.3Å; I112-D114 PolarHBondContact O-N 2.82Å; I112-V115 HydrophobicContact CD1-CG2 4.26Å; I112-V115 WeakPolarHBondContact O-CB 3.34Å; I112-V115 WeakPolarHBondContact O-CG2 3.11Å; I112-V115 PolarHBondContact O-N 3.14Å; I112-L128 HydrophobicContact CD1-CD1 3.48Å; I112-L128 VanDerWaalsContact CD1-CD1 3.48Å; I112-I133 HydrophobicContact CD1-CD1 4.24Å; I112-P137 HydrophobicContact CG2-CG 4.29Å; I112-C140 HydrophobicContact CG2-CB 3.56Å; I112-L141 HydrophobicContact CD1-CD2 4.09Å; I112-L141 HydrophobicContact CG1-CD2 3.92Å; I112-L141 HydrophobicContact CG1-CG 4.49Å; I112-I152 HydrophobicContact CD1-CD1 4.24Å
113	H	90.6	Very high	91.9	Very high	118 Å²	118	37.2 Å²	37.2	55%	0.546	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-68.4	-27.8	175.7	-68	-56.1	0	0	0	113.2	S111 V115 G116 P137	S111-H113 PolarHBondContact O-N 2.64Å; S111-H113 PolarHBondContact OG-N 2.79Å; H113-V115 PolarHBondContact O-N 2.96Å; H113-G116 PolarHBondContact O-N 3.48Å; H113-P137 WeakPolarHBondContact NE2-CG 3.44Å
114	D	90.1	Very high	91.8	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.23	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-71.4	-12.3	176.5	-65.5	-52.3	0	0	0	112.2	R88 T89 F109 S111 I112	R88-D114 CarbonylContact C-O 3.51Å; R88-D114 VanDerWaalsContact CA-O 3.29Å; R88-D114 WeakPolarHBondContact CA-O 3.38Å; R88-D114 HydrophobicContact CB-CB 4.05Å; R88-D114 HydrophobicContact CG-CB 4.13Å; T89-D114 PolarHBondContact N-O 2.93Å; T89-D114 PolarHBondContact OG1-O 2.78Å; F109-D114 HydrophobicContact CD1-CB 4.16Å; F109-D114 WeakPolarHBondContact CE1-O 3.38Å; S111-D114 WeakPolarHBondContact CB-OD2 3.24Å; S111-D114 PolarHBondContact N-OD2 2.8Å; S111-D114 WeakPolarHBondContact O-CB 3.04Å; S111-D114 PolarHBondContact O-N 2.67Å; S111-D114 VanDerWaalsContact O-N 3.15Å; I112-D114 VanDerWaalsContact C-N 3.3Å; I112-D114 PolarHBondContact O-N 2.82Å
115	V	90.2	Very high	91.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-78.9	-20.1	177.6	-166.4	0	0	0	0	112.2	T89 L93 L104 F109 I112 H113 L117 L128	T89-V115 WeakPolarHBondContact CG2-O 3.1Å; T89-V115 PolarHBondContact OG1-O 2.96Å; L93-V115 WeakPolarHBondContact CD1-O 3.17Å; L104-V115 HydrophobicContact CD1-CG1 3.58Å; F109-V115 HydrophobicContact CB-CG2 4.38Å; F109-V115 HydrophobicContact CD1-CG2 3.83Å; F109-V115 HydrophobicContact CE1-CG2 4.25Å; F109-V115 HydrophobicContact CG-CG2 4.03Å; I112-V115 HydrophobicContact CD1-CG2 4.26Å; I112-V115 WeakPolarHBondContact O-CB 3.34Å; I112-V115 WeakPolarHBondContact O-CG2 3.11Å; I112-V115 PolarHBondContact O-N 3.14Å; H113-V115 PolarHBondContact O-N 2.96Å; V115-L117 HydrophobicContact CB-CD1 4.08Å; V115-L117 HydrophobicContact CB-CG 3.99Å; V115-L117 HydrophobicContact CG1-CD1 3.76Å; V115-L117 HydrophobicContact CG1-CD2 3.78Å; V115-L117 HydrophobicContact CG1-CG 3.62Å; V115-L128 HydrophobicContact CG1-CD2 3.91Å; V115-L128 HydrophobicContact CG2-CD2 4Å
116	G	86.1	Confident	91.8	Very high	25 Å²	25	37.1 Å²	37.1	26%	0.258	21%	0.207	S	C	.	.			trans	67.2	36.5	170.4	0	0	0	0	0	115.4	T89 H113 T118	T89-G116 WeakPolarHBondContact OG1-CA 3.38Å; T89-G116 PolarHBondContact OG1-N 2.87Å; H113-G116 PolarHBondContact O-N 3.48Å; G116-T118 PolarHBondContact O-N 3.14Å
117	L	86.4	Confident	91.8	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.084	20%	0.198	C	C	.	.			trans	-80.5	41.3	-171.1	-61.6	169	0	0	0	114.8	L102 V115 M120 L126 L141 L144	L102-L117 HydrophobicContact CD2-CD2 3.89Å; V115-L117 HydrophobicContact CB-CD1 4.08Å; V115-L117 HydrophobicContact CB-CG 3.99Å; V115-L117 HydrophobicContact CG1-CD1 3.76Å; V115-L117 HydrophobicContact CG1-CD2 3.78Å; V115-L117 HydrophobicContact CG1-CG 3.62Å; L117-M120 HydrophobicContact CB-SD 4.47Å; L117-M120 HydrophobicContact CD2-SD 3.7Å; L117-L126 HydrophobicContact CD1-CD2 3.58Å; L117-L126 HydrophobicContact CD2-CD1 4.39Å; L117-L126 HydrophobicContact CD2-CD2 4.44Å; L117-L141 HydrophobicContact CD1-CD2 3.7Å; L117-L144 HydrophobicContact CB-CD2 4.42Å; L117-L144 HydrophobicContact CD1-CD1 4.23Å
118	T	82.2	Confident	91.8	Very high	68 Å²	68	34.8 Å²	34.8	42%	0.417	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	135.2	-177	49.9	0	0	0	0	112.5	G116 M120	G116-T118 PolarHBondContact O-N 3.14Å; T118-M120 PolarHBondContact O-N 3.49Å; T118-M120 VanDerWaalsContact O-N 3.12Å
119	N	81.9	Confident	91.9	Very high	113 Å²	113	33.3 Å²	33.3	60%	0.604	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	17.8	174.3	-164.7	38.1	0	0	0	116.3	S121 D143	N119-S121 PolarHBondContact O-N 3.48Å; N119-D143 PolarHBondContact N-OD2 2.99Å
120	M	86.8	Confident	91.9	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.069	21%	0.21	C	C	.	.			trans	-81.2	55.1	-177.2	-58.5	-173.2	73.2	0	0	113.2	L99 L102 L117 T118 Q122 L123 L144	L99-M120 HydrophobicContact CB-CE 4.37Å; L99-M120 HydrophobicContact CD2-CE 3.54Å; L102-M120 HydrophobicContact CD2-CE 4.17Å; L117-M120 HydrophobicContact CB-SD 4.47Å; L117-M120 HydrophobicContact CD2-SD 3.7Å; T118-M120 PolarHBondContact O-N 3.49Å; T118-M120 VanDerWaalsContact O-N 3.12Å; M120-Q122 VanDerWaalsContact C-N 3.26Å; M120-Q122 PolarHBondContact O-N 3.47Å; M120-Q122 VanDerWaalsContact O-N 3.13Å; M120-L123 HydrophobicContact CB-CB 4.45Å; M120-L123 WeakPolarHBondContact O-CB 3.1Å; M120-L123 PolarHBondContact O-N 3.07Å; M120-L144 HydrophobicContact CB-CD2 3.72Å
121	S	87.1	Confident	92	Very high	43 Å²	43	36 Å²	36	30%	0.301	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.8	-169.6	67.6	0	0	0	0	116.1	N119 N146	N119-S121 PolarHBondContact O-N 3.48Å; S121-N146 WeakPolarHBondContact O-CB 3.49Å; S121-N146 PolarHBondContact O-ND2 2.94Å
122	Q	91.2	Very high	92.2	Very high	92 Å²	92	38.3 Å²	38.3	43%	0.43	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.9	178.7	-62.1	-53.1	-71.4	0	0	113.9	F97 L99 M120 T124	F97-Q122 VanDerWaalsContact O-CG 3.25Å; F97-Q122 WeakPolarHBondContact O-CG 3.44Å; L99-Q122 CarbonylContact O-C 3.58Å; L99-Q122 VanDerWaalsContact O-C 3.3Å; M120-Q122 VanDerWaalsContact C-N 3.26Å; M120-Q122 PolarHBondContact O-N 3.47Å; M120-Q122 VanDerWaalsContact O-N 3.13Å; Q122-T124 PolarHBondContact O-N 2.91Å
123	L	94.2	Very high	92.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.			trans	-67.3	121.9	-175.1	-163.6	72.7	0	0	0	110.7	L99 L102 M120 L126 L144 N146 L147	L99-L123 HydrophobicContact CD2-CD1 4.21Å; L99-L123 HydrophobicContact CG-CD1 4.3Å; L99-L123 WeakPolarHBondContact O-CA 3.25Å; L99-L123 PolarHBondContact O-N 2.99Å; L102-L123 HydrophobicContact CB-CD1 3.79Å; M120-L123 HydrophobicContact CB-CB 4.45Å; M120-L123 WeakPolarHBondContact O-CB 3.1Å; M120-L123 PolarHBondContact O-N 3.07Å; L123-L126 HydrophobicContact CD2-CB 4.06Å; L123-L126 HydrophobicContact CD2-CD1 4.34Å; L123-L126 HydrophobicContact CD2-CD2 4.41Å; L123-L144 HydrophobicContact CD2-CD1 4.45Å; L123-L144 HydrophobicContact CD2-CD2 4.19Å; L123-N146 CarbonylContact O-C 3.6Å; L123-L147 HydrophobicContact CD2-CD1 4.15Å; L123-L147 HydrophobicContact CG-CD1 4.13Å; L123-L147 VanDerWaalsContact O-CA 3.29Å; L123-L147 WeakPolarHBondContact O-CA 3.47Å; L123-L147 PolarHBondContact O-N 2.98Å
124	T	95.6	Very high	92.7	Very high	18 Å²	18	35.4 Å²	35.4	11%	0.11	19%	0.193	C	C	.	.			trans	-101.9	-29.1	176.4	58.4	0	0	0	0	112.6	T100 Q122 Q148 E149	T100-T124 PolarHBondContact O-N 3.31Å; T100-T124 PolarHBondContact O-OG1 3.19Å; T100-T124 VanDerWaalsContact O-OG1 3.05Å; Q122-T124 PolarHBondContact O-N 2.91Å; T124-Q148 PolarHBondContact O-N 2.89Å; T124-E149 PolarHBondContact O-N 2.94Å
125	T	96.8	Very high	93	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130	-173.7	-52.5	0	0	0	0	110.1	T100 E101 L102 H127 E149 Y151	T100-T125 PolarHBondContact O-N 3.14Å; T100-T125 VanDerWaalsContact O-N 3.13Å; E101-T125 WeakPolarHBondContact CA-O 3.46Å; E101-T125 HydrophobicContact CG-CG2 4.08Å; L102-T125 PolarHBondContact N-O 3.01Å; L102-T125 VanDerWaalsContact N-O 3.16Å; T125-H127 WeakPolarHBondContact CG2-NE2 3.23Å; T125-E149 HydrophobicContact CG2-CB 4.23Å; T125-Y151 HydrophobicContact CG2-CE2 4.25Å
126	L	97.3	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	120.8	178.5	176.4	58.4	0	0	0	111	L102 L117 L123 L128 L144 L147 E149 L150 Y151	L102-L126 HydrophobicContact CB-CD1 4.16Å; L102-L126 HydrophobicContact CD2-CD1 4.1Å; L102-L126 HydrophobicContact CG-CD1 4.14Å; L117-L126 HydrophobicContact CD1-CD2 3.58Å; L117-L126 HydrophobicContact CD2-CD1 4.39Å; L117-L126 HydrophobicContact CD2-CD2 4.44Å; L123-L126 HydrophobicContact CD2-CB 4.06Å; L123-L126 HydrophobicContact CD2-CD1 4.34Å; L123-L126 HydrophobicContact CD2-CD2 4.41Å; L126-L128 HydrophobicContact CD1-CD1 4.38Å; L126-L128 HydrophobicContact CD1-CG 4.1Å; L126-L128 HydrophobicContact CD2-CD1 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.48Å; L126-L128 HydrophobicContact CG-CD1 4.07Å; L126-L128 HydrophobicContact CG-CG 4.09Å; L126-L144 HydrophobicContact CD2-CD1 4.01Å; L126-L147 HydrophobicContact CB-CD1 3.86Å; L126-E149 PolarHBondContact N-O 3.46Å; L126-E149 VanDerWaalsContact N-O 3.1Å; L126-L150 HydrophobicContact CB-CD1 4.22Å; L126-L150 HydrophobicContact CD2-CD1 3.93Å; L126-L150 HydrophobicContact CG-CD1 4.1Å; L126-Y151 PolarHBondContact O-N 3.06Å
127	H	98.2	Very high	93.8	Very high	35 Å²	35	37.8 Å²	37.8	16%	0.162	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.9	174.1	-60.7	-98.9	0	0	0	111.2	L102 D103 L104 T125 E129 Y151	L102-H127 PolarHBondContact O-N 3.34Å; D103-H127 HydrophobicContact CB-CB 4.21Å; L104-H127 CarbonylContact C-O 3.56Å; L104-H127 WeakPolarHBondContact CA-O 3.22Å; L104-H127 PolarHBondContact N-O 2.85Å; T125-H127 WeakPolarHBondContact CG2-NE2 3.23Å; H127-E129 VanDerWaalsContact CA-OE2 3.23Å; H127-E129 WeakPolarHBondContact CA-OE2 3.42Å; H127-E129 WeakPolarHBondContact CB-OE2 3.37Å; H127-E129 IonicContact CE1-OE1 3.53Å; H127-E129 IonicContact CG-OE1 3.05Å; H127-E129 IonicContact CG-OE2 3.59Å; H127-E129 IonicContact ND1-OE1 3.35Å; H127-E129 PolarHBondContact ND1-OE1 2.96Å; H127-E129 IonicContact ND1-OE2 3.74Å; H127-Y151 AromaticContact CE1-CD2 3.32Å; H127-Y151 WeakPolarHBondContact CE1-CD2 3.43Å; H127-Y151 AromaticContact CE1-CE2 3.46Å; H127-Y151 VanDerWaalsContact CE1-CE2 3.46Å; H127-Y151 WeakPolarHBondContact CE1-CE2 3.34Å; H127-Y151 AromaticContact ND1-CD2 3.42Å; H127-Y151 WeakPolarHBondContact ND1-CD2 3.49Å; H127-Y151 AromaticContact ND1-CG 3.79Å; H127-Y151 AromaticContact NE2-CD2 3.85Å; H127-Y151 AromaticContact NE2-CE2 3.88Å
128	L	97.8	Very high	94.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.			trans	-136.9	12.6	179	-70.8	172.5	0	0	0	111.7	L104 I112 V115 L126 N131 I133 Y151 I152 N155	L104-L128 HydrophobicContact CB-CD2 3.93Å; L104-L128 HydrophobicContact CD1-CD2 4.36Å; I112-L128 HydrophobicContact CD1-CD1 3.48Å; I112-L128 VanDerWaalsContact CD1-CD1 3.48Å; V115-L128 HydrophobicContact CG1-CD2 3.91Å; V115-L128 HydrophobicContact CG2-CD2 4Å; L126-L128 HydrophobicContact CD1-CD1 4.38Å; L126-L128 HydrophobicContact CD1-CG 4.1Å; L126-L128 HydrophobicContact CD2-CD1 3.93Å; L126-L128 HydrophobicContact CD2-CG 4.48Å; L126-L128 HydrophobicContact CG-CD1 4.07Å; L126-L128 HydrophobicContact CG-CG 4.09Å; L128-N131 WeakPolarHBondContact O-CB 2.95Å; L128-N131 PolarHBondContact O-ND2 3.18Å; L128-N131 VanDerWaalsContact O-ND2 3.09Å; L128-I133 HydrophobicContact CB-CD1 4.37Å; L128-I133 HydrophobicContact CD1-CD1 4.38Å; L128-Y151 WeakPolarHBondContact CA-O 3.46Å; L128-Y151 WeakPolarHBondContact CB-O 3.26Å; L128-Y151 PolarHBondContact N-O 2.89Å; L128-I152 HydrophobicContact CB-CG1 4.11Å; L128-I152 HydrophobicContact CD1-CD1 4.38Å; L128-N155 PolarHBondContact O-ND2 3.31Å
129	E	97.8	Very high	94.8	Very high	31 Å²	31	42 Å²	42	15%	0.145	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	155.3	178.7	57.4	-89.3	-140.4	0	0	113.3	S105 Q106 H127 N131 Y151 N153	S105-E129 CarbonylContact C-O 3.52Å; S105-E129 VanDerWaalsContact CA-O 3.23Å; S105-E129 WeakPolarHBondContact CA-O 3.22Å; Q106-E129 PolarHBondContact N-O 2.77Å; H127-E129 VanDerWaalsContact CA-OE2 3.23Å; H127-E129 WeakPolarHBondContact CA-OE2 3.42Å; H127-E129 WeakPolarHBondContact CB-OE2 3.37Å; H127-E129 IonicContact CE1-OE1 3.53Å; H127-E129 IonicContact CG-OE1 3.05Å; H127-E129 IonicContact CG-OE2 3.59Å; H127-E129 IonicContact ND1-OE1 3.35Å; H127-E129 PolarHBondContact ND1-OE1 2.96Å; H127-E129 IonicContact ND1-OE2 3.74Å; E129-N131 VanDerWaalsContact C-N 3.26Å; E129-N131 PolarHBondContact O-N 3.42Å; E129-N131 PolarHBondContact O-ND2 3.14Å; E129-Y151 WeakPolarHBondContact OE2-CB 3.35Å; E129-N153 WeakPolarHBondContact CA-O 3.47Å; E129-N153 WeakPolarHBondContact CB-ND2 3.5Å; E129-N153 WeakPolarHBondContact CB-O 3.26Å
130	E	97.6	Very high	95.4	Very high	104 Å²	104	37.7 Å²	37.7	49%	0.486	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	36.4	-179.8	-62.5	-172.5	-119.9	0	0	113.9	Q106 N153 H154	Q106-E130 WeakPolarHBondContact CA-O 3.36Å; Q106-E130 HydrophobicContact CB-CB 4.38Å; Q106-E130 HydrophobicContact CG-CB 3.6Å; Q106-E130 HydrophobicContact CG-CG 4.16Å; Q106-E130 PolarHBondContact NE2-OE1 3.41Å; E130-N153 PolarHBondContact N-O 2.93Å; E130-H154 VanDerWaalsContact CA-O 3.31Å; E130-H154 WeakPolarHBondContact CA-O 3.32Å; E130-H154 HydrophobicContact CG-CB 3.81Å; E130-H154 PolarHBondContact N-O 2.91Å
131	N	97.9	Very high	95.7	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.032	19%	0.186	C	C	.	.	S	Bend	trans	-105.3	-166.7	171.7	-84.7	-84.7	0	0	0	111.2	L104 N107 N108 F109 L128 E129 I133 N155	L104-N131 PolarHBondContact O-ND2 3.29Å; N107-N131 WeakPolarHBondContact CA-OD1 3.07Å; N107-N131 VanDerWaalsContact CB-OD1 3.28Å; N107-N131 WeakPolarHBondContact CB-OD1 3.48Å; N107-N131 PolarHBondContact N-OD1 2.76Å; N107-N131 PolarHBondContact O-OD1 3.29Å; N108-N131 PolarHBondContact N-OD1 2.79Å; F109-N131 HydrophobicContact CB-CB 4.42Å; F109-N131 VanDerWaalsContact CD2-OD1 3.31Å; F109-N131 WeakPolarHBondContact CD2-OD1 3.09Å; F109-N131 PolarHBondContact N-OD1 3.02Å; L128-N131 WeakPolarHBondContact O-CB 2.95Å; L128-N131 PolarHBondContact O-ND2 3.18Å; L128-N131 VanDerWaalsContact O-ND2 3.09Å; E129-N131 VanDerWaalsContact C-N 3.26Å; E129-N131 PolarHBondContact O-N 3.42Å; E129-N131 PolarHBondContact O-ND2 3.14Å; N131-I133 HydrophobicContact CB-CG1 4.31Å; N131-N155 WeakPolarHBondContact CA-OD1 3.39Å; N131-N155 WeakPolarHBondContact CB-OD1 3.44Å; N131-N155 PolarHBondContact O-OD1 2.91Å
132	Q	97.3	Very high	95.9	Very high	70 Å²	70	39.7 Å²	39.7	33%	0.327	19%	0.194	S	C	.	.			trans	-117.7	23.2	-175.9	-60.3	172.5	22.1	0	0	112.1	N108 F109 T134 N155	N108-Q132 PolarHBondContact OD1-NE2 2.86Å; F109-Q132 CarbonylContact O-C 3.1Å; F109-Q132 VanDerWaalsContact O-CA 3.27Å; F109-Q132 WeakPolarHBondContact O-CA 3.45Å; F109-Q132 WeakPolarHBondContact O-CB 3.35Å; F109-Q132 PolarHBondContact O-N 3.06Å; Q132-T134 PolarHBondContact O-N 3.07Å; Q132-N155 PolarHBondContact N-OD1 2.74Å
133	I	97.7	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.			trans	-65.9	128.1	-174.9	-57.8	172.8	0	0	0	109.6	F109 S110 I112 L128 N131 I152 N155 Q156 I157	F109-I133 HydrophobicContact CB-CG1 4.34Å; F109-I133 PolarHBondContact O-N 3.06Å; S110-I133 WeakPolarHBondContact O-CA 3.43Å; I112-I133 HydrophobicContact CD1-CD1 4.24Å; L128-I133 HydrophobicContact CB-CD1 4.37Å; L128-I133 HydrophobicContact CD1-CD1 4.38Å; N131-I133 HydrophobicContact CB-CG1 4.31Å; I133-I152 HydrophobicContact CD1-CD1 3.97Å; I133-I152 HydrophobicContact CD1-CG1 4.21Å; I133-N155 HydrophobicContact CB-CB 4.47Å; I133-N155 WeakPolarHBondContact CB-OD1 3.38Å; I133-N155 WeakPolarHBondContact CG1-OD1 3.39Å; I133-N155 PolarHBondContact N-OD1 2.96Å; I133-Q156 CarbonylContact O-C 3.59Å; I133-Q156 VanDerWaalsContact O-CA 3.29Å; I133-Q156 WeakPolarHBondContact O-CA 3.49Å; I133-Q156 PolarHBondContact O-N 3.25Å; I133-I157 HydrophobicContact CB-CG1 4.43Å; I133-I157 HydrophobicContact CG2-CD1 4.46Å; I133-I157 HydrophobicContact CG2-CG1 4.17Å; I133-I157 WeakPolarHBondContact O-CG1 3.29Å; I133-I157 PolarHBondContact O-N 3.36Å; I133-I157 VanDerWaalsContact O-N 3.08Å
134	T	96.7	Very high	95.8	Very high	61 Å²	61	39 Å²	39	37%	0.374	19%	0.193	S	C	.	.			trans	-104.9	-21.3	-172.8	54.1	0	0	0	0	115	S110 Q132 Q156 I157 I158	S110-T134 PolarHBondContact O-N 2.93Å; Q132-T134 PolarHBondContact O-N 3.07Å; T134-Q156 HydrophobicContact CG2-CB 4.22Å; T134-I157 WeakPolarHBondContact O-CA 3.3Å; T134-I158 PolarHBondContact O-N 3.23Å
135	E	96.5	Very high	95.6	Very high	92 Å²	92	40.5 Å²	40.5	43%	0.43	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	155.6	-178.9	60.7	179.2	-158.8	0	0	112.5	I159	E135-I159 WeakPolarHBondContact CA-O 3Å
136	M	96.9	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	100	168.1	-61.2	-176.8	74	0	0	109.2	L141 I152 I157 I159 I160 S161 A164 L165 L176	M136-L141 HydrophobicContact CE-CD1 3.89Å; M136-I152 HydrophobicContact CE-CD1 4.41Å; M136-I152 HydrophobicContact SD-CD1 4.27Å; M136-I157 HydrophobicContact CG-CD1 4.12Å; M136-I157 HydrophobicContact CG-CG2 4.4Å; M136-I157 HydrophobicContact SD-CD1 4.11Å; M136-I159 PolarHBondContact N-O 3.29Å; M136-I160 HydrophobicContact CB-CB 4.46Å; M136-I160 HydrophobicContact CB-CG1 4.24Å; M136-I160 HydrophobicContact CB-CG2 4.26Å; M136-I160 HydrophobicContact CG-CG1 4.29Å; M136-I160 HydrophobicContact SD-CD1 4.23Å; M136-I160 HydrophobicContact SD-CG1 4.04Å; M136-S161 WeakPolarHBondContact O-CB 3.29Å; M136-S161 PolarHBondContact O-N 3Å; M136-S161 PolarHBondContact O-OG 2.79Å; M136-A164 HydrophobicContact CB-CB 3.95Å; M136-L165 HydrophobicContact CE-CD2 3.85Å; M136-L176 HydrophobicContact SD-CD2 4.43Å
137	P	96.2	Very high	95.4	Very high	27 Å²	27	43 Å²	43	18%	0.175	22%	0.218	C	C	.	.			trans	-73.2	163.2	176.8	26.6	-28.3	0	0	0	112.1	I112 H113 C140 S161 A164	I112-P137 HydrophobicContact CG2-CG 4.29Å; H113-P137 WeakPolarHBondContact NE2-CG 3.44Å; P137-C140 HydrophobicContact CG-CB 4.05Å; P137-C140 WeakPolarHBondContact O-CB 3.15Å; P137-C140 PolarHBondContact O-N 3.46Å; P137-C140 PolarHBondContact O-SG 2.84Å; P137-S161 WeakPolarHBondContact CA-OG 3.49Å; P137-A164 WeakPolarHBondContact O-CA 3.43Å; P137-A164 WeakPolarHBondContact O-CB 3.36Å
138	D	95.7	Very high	95.3	Very high	62 Å²	62	42.8 Å²	42.8	33%	0.332	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	139.6	178	-83.7	-9.8	0	0	0	111.6	C140 S161 N163	D138-C140 PolarHBondContact O-N 3.47Å; D138-C140 VanDerWaalsContact O-N 3.14Å; D138-S161 WeakPolarHBondContact OD1-CB 3.43Å; D138-N163 HydrophobicContact CB-CB 4.11Å; D138-N163 WeakPolarHBondContact OD1-CA 3.3Å; D138-N163 WeakPolarHBondContact OD1-CB 3.5Å; D138-N163 PolarHBondContact OD1-N 3.47Å; D138-N163 PolarHBondContact OD2-ND2 2.8Å
139	Y	93.8	Very high	95.3	Very high	111 Å²	111	43.8 Å²	43.8	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	11.2	177.4	-45.8	-69.3	0	0	0	116.7	L141 Q142 N163	Y139-L141 PolarHBondContact O-N 3.06Å; Y139-Q142 WeakPolarHBondContact O-CB 3.46Å; Y139-Q142 PolarHBondContact O-N 2.79Å; Y139-Q142 VanDerWaalsContact O-N 3.15Å; Y139-N163 HydrophobicContact CD1-CB 4.32Å; Y139-N163 HydrophobicContact CE1-CB 3.77Å; Y139-N163 HydrophobicContact CE2-CB 4.38Å; Y139-N163 PolarHBondContact N-O 3.03Å
140	C	94	Very high	95.3	Very high	21 Å²	21	42.3 Å²	42.3	14%	0.142	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.9	-175.1	61.2	0	0	0	0	116	I112 P137 D138	I112-C140 HydrophobicContact CG2-CB 3.56Å; P137-C140 HydrophobicContact CG-CB 4.05Å; P137-C140 WeakPolarHBondContact O-CB 3.15Å; P137-C140 PolarHBondContact O-N 3.46Å; P137-C140 PolarHBondContact O-SG 2.84Å; D138-C140 PolarHBondContact O-N 3.47Å; D138-C140 VanDerWaalsContact O-N 3.14Å
141	L	93.6	Very high	95.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	19.7	178.9	-60.3	174.8	0	0	0	112.9	I112 L117 M136 Y139 D143 L144 L150 L168	I112-L141 HydrophobicContact CD1-CD2 4.09Å; I112-L141 HydrophobicContact CG1-CD2 3.92Å; I112-L141 HydrophobicContact CG1-CG 4.49Å; L117-L141 HydrophobicContact CD1-CD2 3.7Å; M136-L141 HydrophobicContact CE-CD1 3.89Å; Y139-L141 PolarHBondContact O-N 3.06Å; L141-D143 VanDerWaalsContact C-N 3.29Å; L141-D143 PolarHBondContact O-N 2.78Å; L141-L144 HydrophobicContact CB-CD1 4.23Å; L141-L144 HydrophobicContact CD2-CD1 3.82Å; L141-L144 PolarHBondContact O-N 2.89Å; L141-L144 VanDerWaalsContact O-N 3.15Å; L141-L150 HydrophobicContact CD1-CD2 3.66Å; L141-L168 HydrophobicContact CB-CD1 4.15Å; L141-L168 HydrophobicContact CB-CD2 4.08Å; L141-L168 HydrophobicContact CB-CG 4.38Å; L141-L168 HydrophobicContact CD1-CD1 4.04Å; L141-L168 WeakPolarHBondContact O-CD2 3.36Å
142	Q	91.9	Very high	95.3	Very high	97 Å²	97	39 Å²	39	45%	0.453	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.6	-167.6	-175.5	171.5	21.6	0	0	115.1	Y139 L144 S166	Y139-Q142 WeakPolarHBondContact O-CB 3.46Å; Y139-Q142 PolarHBondContact O-N 2.79Å; Y139-Q142 VanDerWaalsContact O-N 3.15Å; Q142-L144 VanDerWaalsContact C-N 3.3Å; Q142-L144 PolarHBondContact O-N 2.66Å; Q142-S166 WeakPolarHBondContact CA-O 3.49Å
143	D	89.4	Confident	95.4	Very high	77 Å²	77	36.4 Å²	36.4	41%	0.412	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-14.5	-177.4	-68.2	-14.7	0	0	0	113.6	N119 L141 S145	N119-D143 PolarHBondContact N-OD2 2.99Å; L141-D143 VanDerWaalsContact C-N 3.29Å; L141-D143 PolarHBondContact O-N 2.78Å; D143-S145 PolarHBondContact O-N 3.17Å
144	L	92.7	Very high	95.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.206	C	C	.	.			trans	-83.2	49.8	-173.1	-53.1	-175.8	0	0	0	112.8	L117 M120 L123 L126 L141 Q142 N146 L147 L168	L117-L144 HydrophobicContact CB-CD2 4.42Å; L117-L144 HydrophobicContact CD1-CD1 4.23Å; M120-L144 HydrophobicContact CB-CD2 3.72Å; L123-L144 HydrophobicContact CD2-CD1 4.45Å; L123-L144 HydrophobicContact CD2-CD2 4.19Å; L126-L144 HydrophobicContact CD2-CD1 4.01Å; L141-L144 HydrophobicContact CB-CD1 4.23Å; L141-L144 HydrophobicContact CD2-CD1 3.82Å; L141-L144 PolarHBondContact O-N 2.89Å; L141-L144 VanDerWaalsContact O-N 3.15Å; Q142-L144 VanDerWaalsContact C-N 3.3Å; Q142-L144 PolarHBondContact O-N 2.66Å; L144-N146 VanDerWaalsContact C-N 3.25Å; L144-N146 PolarHBondContact O-N 2.8Å; L144-N146 VanDerWaalsContact O-N 3.11Å; L144-L147 HydrophobicContact CB-CB 4.04Å; L144-L147 HydrophobicContact CB-CD2 4.41Å; L144-L147 HydrophobicContact CD1-CD2 4.12Å; L144-L147 VanDerWaalsContact O-CB 3.23Å; L144-L147 WeakPolarHBondContact O-CB 3.43Å; L144-L147 PolarHBondContact O-N 2.91Å; L144-L168 HydrophobicContact CB-CD2 3.8Å
145	S	91.7	Very high	95.5	Very high	49 Å²	49	38.3 Å²	38.3	34%	0.343	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.4	-169.6	58.2	0	0	0	0	116	D143 N170	D143-S145 PolarHBondContact O-N 3.17Å; S145-N170 PolarHBondContact O-ND2 3.32Å
146	N	94.1	Very high	95.5	Very high	58 Å²	58	37.6 Å²	37.6	31%	0.31	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5.6	177.1	-68.3	-56.1	0	0	0	114.2	S121 L123 L144 Q148	S121-N146 WeakPolarHBondContact O-CB 3.49Å; S121-N146 PolarHBondContact O-ND2 2.94Å; L123-N146 CarbonylContact O-C 3.6Å; L144-N146 VanDerWaalsContact C-N 3.25Å; L144-N146 PolarHBondContact O-N 2.8Å; L144-N146 VanDerWaalsContact O-N 3.11Å; N146-Q148 PolarHBondContact O-N 3.22Å; N146-Q148 PolarHBondContact O-NE2 3.02Å
147	L	95.9	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.			trans	-62.8	131	179.6	-163	74.8	0	0	0	110.5	L123 L126 L144 L150 L168 N170 L171	L123-L147 HydrophobicContact CD2-CD1 4.15Å; L123-L147 HydrophobicContact CG-CD1 4.13Å; L123-L147 VanDerWaalsContact O-CA 3.29Å; L123-L147 WeakPolarHBondContact O-CA 3.47Å; L123-L147 PolarHBondContact O-N 2.98Å; L126-L147 HydrophobicContact CB-CD1 3.86Å; L144-L147 HydrophobicContact CB-CB 4.04Å; L144-L147 HydrophobicContact CB-CD2 4.41Å; L144-L147 HydrophobicContact CD1-CD2 4.12Å; L144-L147 VanDerWaalsContact O-CB 3.23Å; L144-L147 WeakPolarHBondContact O-CB 3.43Å; L144-L147 PolarHBondContact O-N 2.91Å; L147-L150 HydrophobicContact CD2-CB 4.07Å; L147-L150 HydrophobicContact CD2-CD1 4.41Å; L147-L168 HydrophobicContact CB-CD2 4.19Å; L147-L168 HydrophobicContact CD2-CD2 4.04Å; L147-N170 CarbonylContact O-C 3.33Å; L147-L171 HydrophobicContact CD2-CD1 4.17Å; L147-L171 HydrophobicContact CG-CD1 4.23Å; L147-L171 WeakPolarHBondContact O-CA 3.47Å; L147-L171 PolarHBondContact O-N 3.39Å; L147-L171 VanDerWaalsContact O-N 3.13Å
148	Q	96.7	Very high	95.6	Very high	30 Å²	30	40.2 Å²	40.2	14%	0.14	20%	0.199	C	C	.	.			trans	-117.6	-31	-176.7	-72.7	156.7	39.4	0	0	111.3	P48 T124 N146 L172 R173	P48-Q148 HydrophobicContact CB-CB 4.14Å; P48-Q148 HydrophobicContact CG-CB 4.1Å; T124-Q148 PolarHBondContact O-N 2.89Å; N146-Q148 PolarHBondContact O-N 3.22Å; N146-Q148 PolarHBondContact O-NE2 3.02Å; Q148-L172 HydrophobicContact CB-CD1 4.36Å; Q148-L172 HydrophobicContact CB-CG 4.34Å; Q148-L172 HydrophobicContact CG-CD1 4.36Å; Q148-L172 HydrophobicContact CG-CG 4.43Å; Q148-L172 WeakPolarHBondContact O-CA 3.29Å; Q148-L172 PolarHBondContact O-N 2.99Å; Q148-R173 PolarHBondContact O-N 3.05Å
149	E	97.9	Very high	95.6	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.6	177.7	-52.7	-167.7	171.1	0	0	110.9	P48 T124 T125 L126 Y151 R173	P48-E149 HydrophobicContact CB-CG 4Å; P48-E149 WeakPolarHBondContact CB-OE1 3.43Å; P48-E149 HydrophobicContact CG-CG 4.07Å; T124-E149 PolarHBondContact O-N 2.94Å; T125-E149 HydrophobicContact CG2-CB 4.23Å; L126-E149 PolarHBondContact N-O 3.46Å; L126-E149 VanDerWaalsContact N-O 3.1Å; E149-Y151 HydrophobicContact CB-CD2 4.46Å; E149-Y151 HydrophobicContact CB-CE2 3.71Å; E149-Y151 WeakPolarHBondContact OE2-CE2 3.47Å; E149-Y151 PolarHBondContact OE2-OH 3.21Å; E149-R173 HydrophobicContact CB-CB 4.41Å; E149-R173 HydrophobicContact CG-CB 4.14Å; E149-R173 HydrophobicContact CG-CG 4.28Å; E149-R173 WeakPolarHBondContact OE1-CD 3.4Å; E149-R173 IonicContact OE1-CZ 2.65Å; E149-R173 IonicContact OE1-NE 3.98Å; E149-R173 IonicContact OE1-NH1 3.68Å; E149-R173 PolarHBondContact OE1-NH1 3.06Å
150	L	97.9	Very high	95.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114	174.4	178.3	58	0	0	0	110	L126 L141 L147 L165 L168 L171 R173 L174 H175	L126-L150 HydrophobicContact CB-CD1 4.22Å; L126-L150 HydrophobicContact CD2-CD1 3.93Å; L126-L150 HydrophobicContact CG-CD1 4.1Å; L141-L150 HydrophobicContact CD1-CD2 3.66Å; L147-L150 HydrophobicContact CD2-CB 4.07Å; L147-L150 HydrophobicContact CD2-CD1 4.41Å; L150-L165 HydrophobicContact CD2-CD2 4.45Å; L150-L168 HydrophobicContact CD2-CD1 4.37Å; L150-L171 HydrophobicContact CB-CD1 3.9Å; L150-R173 PolarHBondContact N-O 3.44Å; L150-L174 HydrophobicContact CB-CD1 4.14Å; L150-L174 HydrophobicContact CD2-CD1 3.93Å; L150-L174 HydrophobicContact CG-CD1 4.12Å; L150-H175 PolarHBondContact O-N 2.89Å
151	Y	98.4	Very high	95.9	Very high	39 Å²	39	37.5 Å²	37.5	15%	0.153	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.8	174.2	-56	-88	0	0	0	109.2	T125 L126 H127 L128 E129 E149 H175	T125-Y151 HydrophobicContact CG2-CE2 4.25Å; L126-Y151 PolarHBondContact O-N 3.06Å; H127-Y151 AromaticContact CE1-CD2 3.32Å; H127-Y151 WeakPolarHBondContact CE1-CD2 3.43Å; H127-Y151 AromaticContact CE1-CE2 3.46Å; H127-Y151 VanDerWaalsContact CE1-CE2 3.46Å; H127-Y151 WeakPolarHBondContact CE1-CE2 3.34Å; H127-Y151 AromaticContact ND1-CD2 3.42Å; H127-Y151 WeakPolarHBondContact ND1-CD2 3.49Å; H127-Y151 AromaticContact ND1-CG 3.79Å; H127-Y151 AromaticContact NE2-CD2 3.85Å; H127-Y151 AromaticContact NE2-CE2 3.88Å; L128-Y151 WeakPolarHBondContact CA-O 3.46Å; L128-Y151 WeakPolarHBondContact CB-O 3.26Å; L128-Y151 PolarHBondContact N-O 2.89Å; E129-Y151 WeakPolarHBondContact OE2-CB 3.35Å; E149-Y151 HydrophobicContact CB-CD2 4.46Å; E149-Y151 HydrophobicContact CB-CE2 3.71Å; E149-Y151 WeakPolarHBondContact OE2-CE2 3.47Å; E149-Y151 PolarHBondContact OE2-OH 3.21Å; Y151-H175 HydrophobicContact CD1-CB 3.93Å; Y151-H175 AromaticContact CD1-CD2 3.63Å; Y151-H175 AromaticContact CD1-CG 3.56Å; Y151-H175 AromaticContact CD1-ND1 3.9Å; Y151-H175 AromaticContact CE1-CD2 3.5Å; Y151-H175 VanDerWaalsContact CE1-CD2 3.5Å; Y151-H175 WeakPolarHBondContact CE1-CD2 3.21Å; Y151-H175 AromaticContact CE1-CE1 3.72Å; Y151-H175 AromaticContact CE1-CG 3.82Å; Y151-H175 AromaticContact CE1-ND1 3.93Å; Y151-H175 AromaticContact CE1-NE2 3.48Å; Y151-H175 WeakPolarHBondContact CE1-NE2 3.2Å
152	I	97.3	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.			trans	-137.2	24	177.8	-156.9	173.1	0	0	0	111.1	I112 L128 I133 M136 N155 I157 H175 L176 N179	I112-I152 HydrophobicContact CD1-CD1 4.24Å; L128-I152 HydrophobicContact CB-CG1 4.11Å; L128-I152 HydrophobicContact CD1-CD1 4.38Å; I133-I152 HydrophobicContact CD1-CD1 3.97Å; I133-I152 HydrophobicContact CD1-CG1 4.21Å; M136-I152 HydrophobicContact CE-CD1 4.41Å; M136-I152 HydrophobicContact SD-CD1 4.27Å; I152-N155 PolarHBondContact O-ND2 2.87Å; I152-I157 HydrophobicContact CD1-CD1 3.8Å; I152-I157 HydrophobicContact CG1-CD1 3.91Å; I152-I157 HydrophobicContact CG2-CD1 4.22Å; I152-H175 CarbonylContact C-O 3.52Å; I152-H175 PolarHBondContact N-O 2.86Å; I152-L176 HydrophobicContact CG2-CD2 3.62Å; I152-N179 PolarHBondContact O-ND2 2.84Å
153	N	98.1	Very high	96.2	Very high	16 Å²	16	37.7 Å²	37.7	9%	0.086	20%	0.198	C	C	.	.			trans	-69	167.9	174.2	55.6	-107.1	0	0	0	112.3	E129 E130 N155 H175 N177	E129-N153 WeakPolarHBondContact CA-O 3.47Å; E129-N153 WeakPolarHBondContact CB-ND2 3.5Å; E129-N153 WeakPolarHBondContact CB-O 3.26Å; E130-N153 PolarHBondContact N-O 2.93Å; N153-N155 PolarHBondContact O-N 3.3Å; N153-N155 PolarHBondContact O-ND2 2.97Å; N153-N155 VanDerWaalsContact O-ND2 3.11Å; N153-H175 HydrophobicContact CB-CB 4.36Å; N153-H175 PolarHBondContact N-O 3.11Å; N153-H175 VanDerWaalsContact N-O 3.08Å; N153-H175 WeakPolarHBondContact OD1-CB 3.3Å; N153-N177 CarbonylContact C-O 3.31Å; N153-N177 WeakPolarHBondContact CA-O 3.43Å; N153-N177 HydrophobicContact CB-CB 4.5Å; N153-N177 WeakPolarHBondContact CB-O 3.11Å; N153-N177 WeakPolarHBondContact CB-OD1 3.45Å
154	H	97.8	Very high	96.6	Very high	91 Å²	91	34 Å²	34	42%	0.421	18%	0.179	S	C	.	.	S	Bend	trans	55.1	38.8	179.1	-66.2	97.3	0	0	0	113.1	E130 N177 S178	E130-H154 VanDerWaalsContact CA-O 3.31Å; E130-H154 WeakPolarHBondContact CA-O 3.32Å; E130-H154 HydrophobicContact CG-CB 3.81Å; E130-H154 PolarHBondContact N-O 2.91Å; H154-N177 PolarHBondContact N-O 3.43Å; H154-S178 VanDerWaalsContact CA-O 3.23Å; H154-S178 WeakPolarHBondContact CA-O 3.47Å; H154-S178 PolarHBondContact N-O 2.93Å; H154-S178 PolarHBondContact NE2-OG 3Å
155	N	98.3	Very high	96.8	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.053	18%	0.179	C	C	.	.	S	Bend	trans	-113.5	-164.6	176.5	-91.1	-88.6	0	0	0	109.9	L128 N131 Q132 I133 I152 N153 I157 S178 N179	L128-N155 PolarHBondContact O-ND2 3.31Å; N131-N155 WeakPolarHBondContact CA-OD1 3.39Å; N131-N155 WeakPolarHBondContact CB-OD1 3.44Å; N131-N155 PolarHBondContact O-OD1 2.91Å; Q132-N155 PolarHBondContact N-OD1 2.74Å; I133-N155 HydrophobicContact CB-CB 4.47Å; I133-N155 WeakPolarHBondContact CB-OD1 3.38Å; I133-N155 WeakPolarHBondContact CG1-OD1 3.39Å; I133-N155 PolarHBondContact N-OD1 2.96Å; I152-N155 PolarHBondContact O-ND2 2.87Å; N153-N155 PolarHBondContact O-N 3.3Å; N153-N155 PolarHBondContact O-ND2 2.97Å; N153-N155 VanDerWaalsContact O-ND2 3.11Å; N155-I157 HydrophobicContact CB-CD1 4.37Å; N155-I157 HydrophobicContact CB-CG1 4.16Å; N155-S178 PolarHBondContact N-O 2.84Å; N155-N179 WeakPolarHBondContact CA-OD1 3.35Å; N155-N179 WeakPolarHBondContact CB-OD1 3.38Å; N155-N179 PolarHBondContact O-OD1 2.99Å
156	Q	97.6	Very high	96.9	Very high	77 Å²	77	32.8 Å²	32.8	36%	0.36	17%	0.17	S	C	.	.			trans	-116.8	23	-178	-56.1	-171.9	40.3	0	0	112.3	I133 T134 I158 N179	I133-Q156 CarbonylContact O-C 3.59Å; I133-Q156 VanDerWaalsContact O-CA 3.29Å; I133-Q156 WeakPolarHBondContact O-CA 3.49Å; I133-Q156 PolarHBondContact O-N 3.25Å; T134-Q156 HydrophobicContact CG2-CB 4.22Å; Q156-I158 WeakPolarHBondContact O-CG1 3.34Å; Q156-I158 PolarHBondContact O-N 3.29Å; Q156-N179 PolarHBondContact N-OD1 2.81Å
157	I	97.9	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.			trans	-65.5	118.9	-168.6	-58.2	170.5	0	0	0	110.3	I133 T134 M136 I152 N155 I160 N179 R180 L181	I133-I157 HydrophobicContact CB-CG1 4.43Å; I133-I157 HydrophobicContact CG2-CD1 4.46Å; I133-I157 HydrophobicContact CG2-CG1 4.17Å; I133-I157 WeakPolarHBondContact O-CG1 3.29Å; I133-I157 PolarHBondContact O-N 3.36Å; I133-I157 VanDerWaalsContact O-N 3.08Å; T134-I157 WeakPolarHBondContact O-CA 3.3Å; M136-I157 HydrophobicContact CG-CD1 4.12Å; M136-I157 HydrophobicContact CG-CG2 4.4Å; M136-I157 HydrophobicContact SD-CD1 4.11Å; I152-I157 HydrophobicContact CD1-CD1 3.8Å; I152-I157 HydrophobicContact CG1-CD1 3.91Å; I152-I157 HydrophobicContact CG2-CD1 4.22Å; N155-I157 HydrophobicContact CB-CD1 4.37Å; N155-I157 HydrophobicContact CB-CG1 4.16Å; I157-I160 HydrophobicContact CG2-CD1 4.47Å; I157-I160 HydrophobicContact CG2-CG1 3.83Å; I157-N179 HydrophobicContact CB-CB 4.36Å; I157-N179 WeakPolarHBondContact CB-OD1 3.47Å; I157-N179 WeakPolarHBondContact CG1-OD1 3.13Å; I157-N179 PolarHBondContact N-OD1 2.73Å; I157-R180 CarbonylContact O-C 3.51Å; I157-R180 VanDerWaalsContact O-CA 3.28Å; I157-R180 WeakPolarHBondContact O-CA 3.29Å; I157-R180 PolarHBondContact O-N 3.04Å; I157-L181 HydrophobicContact CG2-CD2 3.89Å; I157-L181 PolarHBondContact O-N 2.78Å
158	I	96.6	Very high	96.7	Very high	82 Å²	82	30.5 Å²	30.5	42%	0.421	16%	0.16	S	C	.	.			trans	-98.6	-35.7	177.9	-49.1	-179.7	0	0	0	110.7	T134 Q156 R180	T134-I158 PolarHBondContact O-N 3.23Å; Q156-I158 WeakPolarHBondContact O-CG1 3.34Å; Q156-I158 PolarHBondContact O-N 3.29Å; I158-R180 HydrophobicContact CG1-CB 4.15Å
159	I	95.9	Very high	96.4	Very high	98 Å²	98	33.8 Å²	33.8	50%	0.503	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.1	-171.3	-57.8	176.3	0	0	0	109.6	E135 M136	E135-I159 WeakPolarHBondContact CA-O 3Å; M136-I159 PolarHBondContact N-O 3.29Å
160	I	97.4	Very high	96.3	Very high	10 Å²	10	36 Å²	36	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.7	165.2	-60.1	171.2	0	0	0	106.6	M136 I157 A164 L176 L181 W188	M136-I160 HydrophobicContact CB-CB 4.46Å; M136-I160 HydrophobicContact CB-CG1 4.24Å; M136-I160 HydrophobicContact CB-CG2 4.26Å; M136-I160 HydrophobicContact CG-CG1 4.29Å; M136-I160 HydrophobicContact SD-CD1 4.23Å; M136-I160 HydrophobicContact SD-CG1 4.04Å; I157-I160 HydrophobicContact CG2-CD1 4.47Å; I157-I160 HydrophobicContact CG2-CG1 3.83Å; I160-A164 HydrophobicContact CG2-CB 3.88Å; I160-L176 HydrophobicContact CD1-CD1 4.13Å; I160-L176 HydrophobicContact CD1-CD2 3.84Å; I160-L181 HydrophobicContact CD1-CD1 3.95Å; I160-L181 HydrophobicContact CD1-CD2 3.84Å; I160-L181 HydrophobicContact CG1-CD2 3.89Å; I160-W188 HydrophobicContact CB-CD2 4.18Å; I160-W188 HydrophobicContact CB-CH2 4.43Å; I160-W188 HydrophobicContact CB-CZ2 3.83Å; I160-W188 HydrophobicContact CD1-CE3 4.5Å; I160-W188 HydrophobicContact CD1-CH2 4.39Å; I160-W188 HydrophobicContact CD1-CZ3 4.34Å; I160-W188 HydrophobicContact CG2-CD2 4.08Å; I160-W188 HydrophobicContact CG2-CG 3.95Å; I160-W188 PolarHBondContact O-NE1 3.36Å
161	S	96.9	Very high	96.2	Very high	30 Å²	30	36 Å²	36	21%	0.21	19%	0.187	C	C	.	.			trans	-82.4	151.9	-178.6	-50.4	0	0	0	0	110.8	M136 P137 D138 N163 A164	M136-S161 WeakPolarHBondContact O-CB 3.29Å; M136-S161 PolarHBondContact O-N 3Å; M136-S161 PolarHBondContact O-OG 2.79Å; P137-S161 WeakPolarHBondContact CA-OG 3.49Å; D138-S161 WeakPolarHBondContact OD1-CB 3.43Å; S161-N163 PolarHBondContact O-N 3.36Å; S161-N163 VanDerWaalsContact O-N 3.12Å; S161-A164 VanDerWaalsContact O-CB 3.27Å; S161-A164 WeakPolarHBondContact O-CB 3.24Å; S161-A164 PolarHBondContact O-N 3.35Å
162	P	96.3	Very high	96.1	Very high	44 Å²	44	35.7 Å²	35.7	29%	0.286	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-35.5	-172.5	-28.7	37.2	0	0	0	114.8	R187	P162-R187 HydrophobicContact CB-CB 4.1Å
163	N	96.3	Very high	96.2	Very high	59 Å²	59	38.3 Å²	38.3	32%	0.316	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	16.1	-178.5	-47.4	-76.3	0	0	0	112.8	D138 Y139 S161 L165 S166	D138-N163 HydrophobicContact CB-CB 4.11Å; D138-N163 WeakPolarHBondContact OD1-CA 3.3Å; D138-N163 WeakPolarHBondContact OD1-CB 3.5Å; D138-N163 PolarHBondContact OD1-N 3.47Å; D138-N163 PolarHBondContact OD2-ND2 2.8Å; Y139-N163 HydrophobicContact CD1-CB 4.32Å; Y139-N163 HydrophobicContact CE1-CB 3.77Å; Y139-N163 HydrophobicContact CE2-CB 4.38Å; Y139-N163 PolarHBondContact N-O 3.03Å; S161-N163 PolarHBondContact O-N 3.36Å; S161-N163 VanDerWaalsContact O-N 3.12Å; N163-L165 VanDerWaalsContact C-N 3.28Å; N163-L165 PolarHBondContact O-N 3.01Å; N163-S166 WeakPolarHBondContact O-CB 3.45Å; N163-S166 PolarHBondContact O-N 2.8Å; N163-S166 VanDerWaalsContact O-N 3.1Å
164	A	96.8	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-35.1	-178.2	0	0	0	0	0	113.2	M136 P137 I160 S161	M136-A164 HydrophobicContact CB-CB 3.95Å; P137-A164 WeakPolarHBondContact O-CA 3.43Å; P137-A164 WeakPolarHBondContact O-CB 3.36Å; I160-A164 HydrophobicContact CG2-CB 3.88Å; S161-A164 VanDerWaalsContact O-CB 3.27Å; S161-A164 WeakPolarHBondContact O-CB 3.24Å; S161-A164 PolarHBondContact O-N 3.35Å
165	L	96	Very high	96.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	13.7	177.1	-54.1	179	0	0	0	113.1	M136 L150 N163 L168 L174 S191 T192	M136-L165 HydrophobicContact CE-CD2 3.85Å; L150-L165 HydrophobicContact CD2-CD2 4.45Å; N163-L165 VanDerWaalsContact C-N 3.28Å; N163-L165 PolarHBondContact O-N 3.01Å; L165-L168 HydrophobicContact CB-CD1 4.19Å; L165-L168 HydrophobicContact CD2-CD1 3.82Å; L165-L168 WeakPolarHBondContact O-CB 3.39Å; L165-L168 PolarHBondContact O-N 3.02Å; L165-L174 HydrophobicContact CD1-CD2 3.75Å; L165-S191 WeakPolarHBondContact O-CB 3.46Å; L165-T192 HydrophobicContact CB-CG2 3.95Å; L165-T192 HydrophobicContact CD1-CG2 4.36Å
166	S	94.8	Very high	96.2	Very high	21 Å²	21	34.1 Å²	34.1	15%	0.147	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	138	175.3	-177.1	0	0	0	0	110.5	Q142 N163	Q142-S166 WeakPolarHBondContact CA-O 3.49Å; N163-S166 WeakPolarHBondContact O-CB 3.45Å; N163-S166 PolarHBondContact O-N 2.8Å; N163-S166 VanDerWaalsContact O-N 3.1Å
167	G	90.2	Very high	96.2	Very high	9 Å²	9	31.3 Å²	31.3	9%	0.093	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-22.4	-175.2	0	0	0	0	0	114.7	H169	G167-H169 PolarHBondContact O-N 2.91Å
168	L	94.6	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.			trans	-80.3	47.6	-176.5	-54.8	-175.7	0	0	0	113.5	L141 L144 L147 L150 L165 N170 L171 T192	L141-L168 HydrophobicContact CB-CD1 4.15Å; L141-L168 HydrophobicContact CB-CD2 4.08Å; L141-L168 HydrophobicContact CB-CG 4.38Å; L141-L168 HydrophobicContact CD1-CD1 4.04Å; L141-L168 WeakPolarHBondContact O-CD2 3.36Å; L144-L168 HydrophobicContact CB-CD2 3.8Å; L147-L168 HydrophobicContact CB-CD2 4.19Å; L147-L168 HydrophobicContact CD2-CD2 4.04Å; L150-L168 HydrophobicContact CD2-CD1 4.37Å; L165-L168 HydrophobicContact CB-CD1 4.19Å; L165-L168 HydrophobicContact CD2-CD1 3.82Å; L165-L168 WeakPolarHBondContact O-CB 3.39Å; L165-L168 PolarHBondContact O-N 3.02Å; L168-N170 PolarHBondContact O-N 2.87Å; L168-L171 HydrophobicContact CB-CB 4.2Å; L168-L171 HydrophobicContact CB-CD2 4.48Å; L168-L171 HydrophobicContact CD1-CD2 4.31Å; L168-L171 VanDerWaalsContact O-CB 3.28Å; L168-L171 WeakPolarHBondContact O-CB 2.98Å; L168-L171 PolarHBondContact O-N 2.68Å; L168-L171 VanDerWaalsContact O-N 3.17Å; L168-T192 HydrophobicContact CB-CG2 4.28Å
169	H	91.8	Very high	96.2	Very high	99 Å²	99	28.6 Å²	28.6	46%	0.458	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.9	-170.8	-58.4	-48.8	0	0	0	114.5	G167 S191 N194	G167-H169 PolarHBondContact O-N 2.91Å; H169-S191 PolarHBondContact ND1-O 3.18Å; H169-N194 PolarHBondContact O-ND2 2.83Å
170	N	94.6	Very high	96.3	Very high	68 Å²	68	30.8 Å²	30.8	36%	0.364	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	4.6	177.6	-69.9	-54.9	0	0	0	113.6	S145 L147 L168 L172	S145-N170 PolarHBondContact O-ND2 3.32Å; L147-N170 CarbonylContact O-C 3.33Å; L168-N170 PolarHBondContact O-N 2.87Å; N170-L172 WeakPolarHBondContact O-CG 3.05Å; N170-L172 PolarHBondContact O-N 3.1Å
171	L	96.8	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.			trans	-66	123.6	-175.6	-164.1	72	0	0	0	111.1	L147 L150 L168 L174 T192 N194 L195	L147-L171 HydrophobicContact CD2-CD1 4.17Å; L147-L171 HydrophobicContact CG-CD1 4.23Å; L147-L171 WeakPolarHBondContact O-CA 3.47Å; L147-L171 PolarHBondContact O-N 3.39Å; L147-L171 VanDerWaalsContact O-N 3.13Å; L150-L171 HydrophobicContact CB-CD1 3.9Å; L168-L171 HydrophobicContact CB-CB 4.2Å; L168-L171 HydrophobicContact CB-CD2 4.48Å; L168-L171 HydrophobicContact CD1-CD2 4.31Å; L168-L171 VanDerWaalsContact O-CB 3.28Å; L168-L171 WeakPolarHBondContact O-CB 2.98Å; L168-L171 PolarHBondContact O-N 2.68Å; L168-L171 VanDerWaalsContact O-N 3.17Å; L171-L174 HydrophobicContact CD2-CB 4.13Å; L171-L174 HydrophobicContact CD2-CD1 4.38Å; L171-L174 HydrophobicContact CD2-CD2 4.34Å; L171-T192 HydrophobicContact CB-CG2 4.46Å; L171-T192 HydrophobicContact CD2-CG2 4.17Å; L171-N194 CarbonylContact O-C 3.55Å; L171-L195 HydrophobicContact CB-CD1 4.49Å; L171-L195 HydrophobicContact CD2-CD1 4.06Å; L171-L195 HydrophobicContact CG-CD1 3.97Å; L171-L195 VanDerWaalsContact O-CA 3.26Å; L171-L195 WeakPolarHBondContact O-CA 3.25Å; L171-L195 PolarHBondContact O-N 2.87Å
172	L	97.1	Very high	96.1	Very high	33 Å²	33	35.5 Å²	35.5	17%	0.173	17%	0.171	C	C	.	.			trans	-107.3	-34.7	-179.2	-56	-179.5	0	0	0	112	Q148 N170 N194 E196 I197	Q148-L172 HydrophobicContact CB-CD1 4.36Å; Q148-L172 HydrophobicContact CB-CG 4.34Å; Q148-L172 HydrophobicContact CG-CD1 4.36Å; Q148-L172 HydrophobicContact CG-CG 4.43Å; Q148-L172 WeakPolarHBondContact O-CA 3.29Å; Q148-L172 PolarHBondContact O-N 2.99Å; N170-L172 WeakPolarHBondContact O-CG 3.05Å; N170-L172 PolarHBondContact O-N 3.1Å; L172-N194 HydrophobicContact CD2-CB 4.5Å; L172-E196 HydrophobicContact CD2-CG 4.49Å; L172-E196 PolarHBondContact O-N 2.96Å; L172-I197 PolarHBondContact O-N 3.36Å
173	R	98.1	Very high	96	Very high	54 Å²	54	36.2 Å²	36.2	20%	0.204	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.9	-177.2	-54.3	-171.6	172.4	90.2	10.1	110.9	P48 Q148 E149 L150 I197	P48-R173 PolarHBondContact O-NH1 2.89Å; Q148-R173 PolarHBondContact O-N 3.05Å; E149-R173 HydrophobicContact CB-CB 4.41Å; E149-R173 HydrophobicContact CG-CB 4.14Å; E149-R173 HydrophobicContact CG-CG 4.28Å; E149-R173 WeakPolarHBondContact OE1-CD 3.4Å; E149-R173 IonicContact OE1-CZ 2.65Å; E149-R173 IonicContact OE1-NE 3.98Å; E149-R173 IonicContact OE1-NH1 3.68Å; E149-R173 PolarHBondContact OE1-NH1 3.06Å; L150-R173 PolarHBondContact N-O 3.44Å; R173-I197 HydrophobicContact CG-CB 4.23Å; R173-I197 HydrophobicContact CG-CD1 4.23Å; R173-I197 HydrophobicContact CG-CG1 4.41Å
174	L	98.3	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	116	179.3	178	56.9	0	0	0	110.4	L150 L165 L171 L176 F189 L195 I197 L198 M199	L150-L174 HydrophobicContact CB-CD1 4.14Å; L150-L174 HydrophobicContact CD2-CD1 3.93Å; L150-L174 HydrophobicContact CG-CD1 4.12Å; L165-L174 HydrophobicContact CD1-CD2 3.75Å; L171-L174 HydrophobicContact CD2-CB 4.13Å; L171-L174 HydrophobicContact CD2-CD1 4.38Å; L171-L174 HydrophobicContact CD2-CD2 4.34Å; L174-L176 HydrophobicContact CD1-CD1 4.38Å; L174-L176 HydrophobicContact CD1-CG 4.05Å; L174-L176 HydrophobicContact CD2-CD1 3.87Å; L174-L176 HydrophobicContact CD2-CG 4.42Å; L174-L176 HydrophobicContact CG-CD1 3.99Å; L174-L176 HydrophobicContact CG-CG 4.01Å; L174-F189 HydrophobicContact CD2-CE1 4.41Å; L174-L195 HydrophobicContact CB-CD1 3.66Å; L174-L195 HydrophobicContact CB-CD2 4.15Å; L174-L195 HydrophobicContact CD2-CD2 4.46Å; L174-I197 PolarHBondContact N-O 3.38Å; L174-L198 HydrophobicContact CB-CD1 4.23Å; L174-L198 HydrophobicContact CD2-CD1 4.09Å; L174-L198 HydrophobicContact CG-CD1 4.11Å; L174-M199 PolarHBondContact O-N 3.34Å
175	H	98.4	Very high	95.9	Very high	27 Å²	27	35.7 Å²	35.7	13%	0.125	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	105	179.8	-65.5	-122.1	0	0	0	109.9	L150 Y151 I152 N153 M199	L150-H175 PolarHBondContact O-N 2.89Å; Y151-H175 HydrophobicContact CD1-CB 3.93Å; Y151-H175 AromaticContact CD1-CD2 3.63Å; Y151-H175 AromaticContact CD1-CG 3.56Å; Y151-H175 AromaticContact CD1-ND1 3.9Å; Y151-H175 AromaticContact CE1-CD2 3.5Å; Y151-H175 VanDerWaalsContact CE1-CD2 3.5Å; Y151-H175 WeakPolarHBondContact CE1-CD2 3.21Å; Y151-H175 AromaticContact CE1-CE1 3.72Å; Y151-H175 AromaticContact CE1-CG 3.82Å; Y151-H175 AromaticContact CE1-ND1 3.93Å; Y151-H175 AromaticContact CE1-NE2 3.48Å; Y151-H175 WeakPolarHBondContact CE1-NE2 3.2Å; I152-H175 CarbonylContact C-O 3.52Å; I152-H175 PolarHBondContact N-O 2.86Å; N153-H175 HydrophobicContact CB-CB 4.36Å; N153-H175 PolarHBondContact N-O 3.11Å; N153-H175 VanDerWaalsContact N-O 3.08Å; N153-H175 WeakPolarHBondContact OD1-CB 3.3Å; H175-M199 PolarHBondContact CE1-SD 2.86Å; H175-M199 PolarHBondContact ND1-SD 3.32Å
176	L	97.6	Very high	95.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	19%	0.191	C	C	.	.			trans	-112.2	4.7	179.2	-74.9	168.6	0	0	0	112.4	M136 I152 I160 L174 N179 L198 M199 I200 N203	M136-L176 HydrophobicContact SD-CD2 4.43Å; I152-L176 HydrophobicContact CG2-CD2 3.62Å; I160-L176 HydrophobicContact CD1-CD1 4.13Å; I160-L176 HydrophobicContact CD1-CD2 3.84Å; L174-L176 HydrophobicContact CD1-CD1 4.38Å; L174-L176 HydrophobicContact CD1-CG 4.05Å; L174-L176 HydrophobicContact CD2-CD1 3.87Å; L174-L176 HydrophobicContact CD2-CG 4.42Å; L174-L176 HydrophobicContact CG-CD1 3.99Å; L174-L176 HydrophobicContact CG-CG 4.01Å; L176-N179 PolarHBondContact O-ND2 2.96Å; L176-L198 HydrophobicContact CD1-CD1 4.42Å; L176-M199 CarbonylContact C-O 3.32Å; L176-M199 WeakPolarHBondContact CA-O 3.43Å; L176-M199 PolarHBondContact N-O 3.29Å; L176-I200 HydrophobicContact CB-CB 4.5Å; L176-I200 HydrophobicContact CB-CG1 4.18Å; L176-I200 HydrophobicContact CD1-CD1 4.17Å; L176-N203 PolarHBondContact O-ND2 3.38Å
177	N	97.3	Very high	95.9	Very high	18 Å²	18	42.3 Å²	42.3	10%	0.096	21%	0.206	C	C	.	.			trans	-64.2	158	-173.7	63.8	-87.9	0	0	0	113.1	N153 H154 N179 M199 G201	N153-N177 CarbonylContact C-O 3.31Å; N153-N177 WeakPolarHBondContact CA-O 3.43Å; N153-N177 HydrophobicContact CB-CB 4.5Å; N153-N177 WeakPolarHBondContact CB-O 3.11Å; N153-N177 WeakPolarHBondContact CB-OD1 3.45Å; H154-N177 PolarHBondContact N-O 3.43Å; N177-N179 PolarHBondContact O-N 2.87Å; N177-N179 PolarHBondContact O-ND2 3.04Å; N177-M199 PolarHBondContact N-O 2.83Å; N177-G201 CarbonylContact C-O 3.56Å; N177-G201 WeakPolarHBondContact CA-O 3.05Å; N177-G201 WeakPolarHBondContact CB-O 3.34Å
178	S	97.4	Very high	96.2	Very high	16 Å²	16	42.7 Å²	42.7	11%	0.112	20%	0.204	C	C	.	.	S	Bend	trans	60.6	49.9	173.4	-36.9	0	0	0	0	111.5	H154 N155 G201 E202	H154-S178 VanDerWaalsContact CA-O 3.23Å; H154-S178 WeakPolarHBondContact CA-O 3.47Å; H154-S178 PolarHBondContact N-O 2.93Å; H154-S178 PolarHBondContact NE2-OG 3Å; N155-S178 PolarHBondContact N-O 2.84Å; S178-G201 PolarHBondContact N-O 3.47Å; S178-E202 WeakPolarHBondContact CA-O 3.42Å; S178-E202 WeakPolarHBondContact CB-OE2 3.38Å; S178-E202 PolarHBondContact OG-OE2 3.46Å
179	N	98.2	Very high	96.3	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.043	20%	0.204	C	C	.	.	S	Bend	trans	-122.2	-161.6	178.7	-92.2	-70.1	0	0	0	109.8	I152 N155 Q156 I157 L176 N177 E202 N203	I152-N179 PolarHBondContact O-ND2 2.84Å; N155-N179 WeakPolarHBondContact CA-OD1 3.35Å; N155-N179 WeakPolarHBondContact CB-OD1 3.38Å; N155-N179 PolarHBondContact O-OD1 2.99Å; Q156-N179 PolarHBondContact N-OD1 2.81Å; I157-N179 HydrophobicContact CB-CB 4.36Å; I157-N179 WeakPolarHBondContact CB-OD1 3.47Å; I157-N179 WeakPolarHBondContact CG1-OD1 3.13Å; I157-N179 PolarHBondContact N-OD1 2.73Å; L176-N179 PolarHBondContact O-ND2 2.96Å; N177-N179 PolarHBondContact O-N 2.87Å; N177-N179 PolarHBondContact O-ND2 3.04Å; N179-E202 PolarHBondContact N-O 2.99Å; N179-N203 WeakPolarHBondContact CA-OD1 3.5Å; N179-N203 WeakPolarHBondContact CB-OD1 3.17Å; N179-N203 PolarHBondContact O-OD1 2.02Å
180	R	97.2	Very high	96.4	Very high	144 Å²	144	44.3 Å²	44.3	54%	0.543	21%	0.212	S	C	.	.			trans	-122.7	28	-179.1	-59.3	-163.2	-170.5	-76.9	1.8	113.6	I157 I158 N203	I157-R180 CarbonylContact O-C 3.51Å; I157-R180 VanDerWaalsContact O-CA 3.28Å; I157-R180 WeakPolarHBondContact O-CA 3.29Å; I157-R180 PolarHBondContact O-N 3.04Å; I158-R180 HydrophobicContact CG1-CB 4.15Å; R180-N203 PolarHBondContact N-OD1 3.37Å
181	L	96.6	Very high	96.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.203	C	C	.	.			trans	-65.2	132.3	178.4	-57.1	174.2	0	0	0	110.8	I157 I160 W188 I200 N203 P204 V205	I157-L181 HydrophobicContact CG2-CD2 3.89Å; I157-L181 PolarHBondContact O-N 2.78Å; I160-L181 HydrophobicContact CD1-CD1 3.95Å; I160-L181 HydrophobicContact CD1-CD2 3.84Å; I160-L181 HydrophobicContact CG1-CD2 3.89Å; L181-W188 HydrophobicContact CD1-CH2 4.44Å; L181-W188 HydrophobicContact CD1-CZ3 4.46Å; L181-W188 HydrophobicContact CD2-CH2 4.43Å; L181-I200 HydrophobicContact CD1-CD1 4.2Å; L181-I200 HydrophobicContact CD1-CG1 4.23Å; L181-N203 HydrophobicContact CB-CB 4.12Å; L181-N203 VanDerWaalsContact CB-OD1 3.31Å; L181-N203 WeakPolarHBondContact CB-OD1 3.44Å; L181-N203 WeakPolarHBondContact CG-OD1 3.4Å; L181-N203 PolarHBondContact N-OD1 2.91Å; L181-P204 CarbonylContact O-C 3.57Å; L181-P204 VanDerWaalsContact O-C 3.3Å; L181-P204 VanDerWaalsContact O-CD 3.31Å; L181-P204 WeakPolarHBondContact O-CD 3.45Å; L181-V205 WeakPolarHBondContact O-CG2 3.19Å; L181-V205 PolarHBondContact O-N 3.21Å
182	K	93.9	Very high	96.3	Very high	139 Å²	139	42.2 Å²	42.2	60%	0.604	20%	0.203	S	C	*	.			trans	-98.9	-14	-178.6	-65.1	-176	179.7	178.6	0	114.6	V205 V206	K182-V205 WeakPolarHBondContact O-CA 3.38Å; K182-V206 PolarHBondContact O-N 2.73Å
183	A	94.3	Very high	96.1	Very high	58 Å²	58	42.8 Å²	42.8	48%	0.479	21%	0.209	S	C	.	.			trans	-150.9	167.3	-179.5	0	0	0	0	0	108.5	W188	A183-W188 VanDerWaalsContact O-CH2 3.24Å; A183-W188 WeakPolarHBondContact O-CH2 3.23Å
184	I	95.4	Very high	96	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.036	22%	0.215	C	C	.	.			trans	-113.1	129.8	165.7	-56.5	175.2	0	0	0	106.9	W188 F189 I200 V205 N212 F213 M227	I184-W188 HydrophobicContact CB-CZ3 4.3Å; I184-W188 HydrophobicContact CG2-CE3 4.23Å; I184-W188 HydrophobicContact CG2-CZ3 4Å; I184-F189 HydrophobicContact CG2-CE2 3.82Å; I184-F189 HydrophobicContact CG2-CZ 4.33Å; I184-I200 HydrophobicContact CD1-CD1 4.18Å; I184-I200 HydrophobicContact CD1-CG2 4.29Å; I184-I200 HydrophobicContact CG1-CD1 4.06Å; I184-I200 HydrophobicContact CG2-CD1 4.45Å; I184-V205 HydrophobicContact CG1-CG1 4.33Å; I184-V205 HydrophobicContact CG1-CG2 4.27Å; I184-N212 WeakPolarHBondContact CG2-ND2 3.13Å; I184-N212 PolarHBondContact O-ND2 3.18Å; I184-F213 HydrophobicContact CD1-CE1 4.05Å; I184-F213 HydrophobicContact CD1-CZ 3.69Å; I184-F213 HydrophobicContact CG2-CE1 4.2Å; I184-M227 HydrophobicContact CD1-CE 4.12Å
185	D	95.3	Very high	95.9	Very high	42 Å²	42	43.3 Å²	43.3	23%	0.225	22%	0.215	C	C	.	.			trans	-103.3	132	172.6	-159.8	-48.9	0	0	0	109.5	R187 W188	D185-R187 PolarHBondContact O-N 2.74Å; D185-R187 VanDerWaalsContact OD1-CB 3.29Å; D185-R187 WeakPolarHBondContact OD1-CB 3.36Å; D185-R187 VanDerWaalsContact OD1-CG 3.31Å; D185-R187 WeakPolarHBondContact OD1-CG 3.43Å; D185-R187 IonicContact OD1-CZ 3.96Å; D185-R187 PolarHBondContact OD1-N 2.94Å; D185-R187 IonicContact OD1-NE 2.81Å; D185-R187 PolarHBondContact OD1-NE 3.08Å; D185-R187 IonicContact OD1-NH2 3.64Å; D185-R187 IonicContact OD2-CZ 3.58Å; D185-R187 VanDerWaalsContact OD2-CZ 3.32Å; D185-R187 IonicContact OD2-NE 2.93Å; D185-R187 PolarHBondContact OD2-NE 2.56Å; D185-R187 IonicContact OD2-NH2 2.69Å; D185-R187 PolarHBondContact OD2-NH2 2.92Å; D185-W188 HydrophobicContact CB-CD2 3.84Å; D185-W188 VanDerWaalsContact CB-CE2 3.49Å; D185-W188 HydrophobicContact CB-CG 4.15Å; D185-W188 HydrophobicContact CB-CZ2 3.92Å
186	S	95.8	Very high	95.9	Very high	41 Å²	41	44.5 Å²	44.5	29%	0.287	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-65.9	-25.6	177.7	56	0	0	0	0	112.5	W188 F189 N212	S186-W188 VanDerWaalsContact C-N 3.3Å; S186-W188 PolarHBondContact O-N 2.68Å; S186-F189 PolarHBondContact O-N 3.46Å; S186-N212 VanDerWaalsContact CA-O 3.29Å; S186-N212 WeakPolarHBondContact CA-O 3.08Å; S186-N212 VanDerWaalsContact CB-O 3.22Å; S186-N212 WeakPolarHBondContact CB-O 3.49Å
187	R	96.1	Very high	95.9	Very high	122 Å²	122	46.3 Å²	46.3	46%	0.46	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-65.8	-30.3	-175.1	-65.7	175.6	-71.4	174	-0.9	113.3	P162 D185 F189 E190	P162-R187 HydrophobicContact CB-CB 4.1Å; D185-R187 PolarHBondContact O-N 2.74Å; D185-R187 VanDerWaalsContact OD1-CB 3.29Å; D185-R187 WeakPolarHBondContact OD1-CB 3.36Å; D185-R187 VanDerWaalsContact OD1-CG 3.31Å; D185-R187 WeakPolarHBondContact OD1-CG 3.43Å; D185-R187 IonicContact OD1-CZ 3.96Å; D185-R187 PolarHBondContact OD1-N 2.94Å; D185-R187 IonicContact OD1-NE 2.81Å; D185-R187 PolarHBondContact OD1-NE 3.08Å; D185-R187 IonicContact OD1-NH2 3.64Å; D185-R187 IonicContact OD2-CZ 3.58Å; D185-R187 VanDerWaalsContact OD2-CZ 3.32Å; D185-R187 IonicContact OD2-NE 2.93Å; D185-R187 PolarHBondContact OD2-NE 2.56Å; D185-R187 IonicContact OD2-NH2 2.69Å; D185-R187 PolarHBondContact OD2-NH2 2.92Å; R187-F189 PolarHBondContact O-N 3.15Å; R187-F189 VanDerWaalsContact O-N 3.08Å; R187-E190 PolarHBondContact O-N 3.21Å; R187-E190 VanDerWaalsContact O-N 3.14Å
188	W	95.9	Very high	96	Very high	17 Å²	17	45.4 Å²	45.4	6%	0.064	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-52.2	-33.6	175.5	-56.4	-27.8	0	0	0	112.6	I160 L181 A183 I184 D185 S186 I200	I160-W188 HydrophobicContact CB-CD2 4.18Å; I160-W188 HydrophobicContact CB-CH2 4.43Å; I160-W188 HydrophobicContact CB-CZ2 3.83Å; I160-W188 HydrophobicContact CD1-CE3 4.5Å; I160-W188 HydrophobicContact CD1-CH2 4.39Å; I160-W188 HydrophobicContact CD1-CZ3 4.34Å; I160-W188 HydrophobicContact CG2-CD2 4.08Å; I160-W188 HydrophobicContact CG2-CG 3.95Å; I160-W188 PolarHBondContact O-NE1 3.36Å; L181-W188 HydrophobicContact CD1-CH2 4.44Å; L181-W188 HydrophobicContact CD1-CZ3 4.46Å; L181-W188 HydrophobicContact CD2-CH2 4.43Å; A183-W188 VanDerWaalsContact O-CH2 3.24Å; A183-W188 WeakPolarHBondContact O-CH2 3.23Å; I184-W188 HydrophobicContact CB-CZ3 4.3Å; I184-W188 HydrophobicContact CG2-CE3 4.23Å; I184-W188 HydrophobicContact CG2-CZ3 4Å; D185-W188 HydrophobicContact CB-CD2 3.84Å; D185-W188 VanDerWaalsContact CB-CE2 3.49Å; D185-W188 HydrophobicContact CB-CG 4.15Å; D185-W188 HydrophobicContact CB-CZ2 3.92Å; S186-W188 VanDerWaalsContact C-N 3.3Å; S186-W188 PolarHBondContact O-N 2.68Å; W188-I200 HydrophobicContact CZ3-CD1 4.27Å
189	F	96.1	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-93.6	-3.9	-172.2	-55.4	-55.7	0	0	0	114.1	L174 I184 S186 R187 S191 T192 L198 F213 P215 L216	L174-F189 HydrophobicContact CD2-CE1 4.41Å; I184-F189 HydrophobicContact CG2-CE2 3.82Å; I184-F189 HydrophobicContact CG2-CZ 4.33Å; S186-F189 PolarHBondContact O-N 3.46Å; R187-F189 PolarHBondContact O-N 3.15Å; R187-F189 VanDerWaalsContact O-N 3.08Å; F189-S191 PolarHBondContact O-N 2.78Å; F189-T192 PolarHBondContact O-N 2.88Å; F189-T192 VanDerWaalsContact O-N 3.14Å; F189-T192 PolarHBondContact O-OG1 3.35Å; F189-L198 HydrophobicContact CE1-CD1 4.22Å; F189-L198 HydrophobicContact CE1-CD2 3.84Å; F189-L198 HydrophobicContact CE2-CD2 4.44Å; F189-L198 HydrophobicContact CZ-CD2 3.68Å; F189-F213 HydrophobicContact CE2-CD1 4.31Å; F189-P215 HydrophobicContact CB-CB 4.08Å; F189-P215 HydrophobicContact CB-CG 4.31Å; F189-L216 HydrophobicContact CB-CD1 4.35Å; F189-L216 HydrophobicContact CB-CD2 3.61Å; F189-L216 HydrophobicContact CB-CG 3.81Å; F189-L216 HydrophobicContact CD1-CD1 4.03Å; F189-L216 HydrophobicContact CD1-CD2 3.86Å; F189-L216 HydrophobicContact CD1-CG 4.28Å; F189-L216 HydrophobicContact CD2-CD1 4.05Å; F189-L216 HydrophobicContact CD2-CG 4.38Å; F189-L216 HydrophobicContact CE1-CD1 4.36Å; F189-L216 HydrophobicContact CE2-CD1 4.38Å; F189-L216 HydrophobicContact CG-CD1 3.87Å; F189-L216 HydrophobicContact CG-CD2 3.84Å; F189-L216 HydrophobicContact CG-CG 3.9Å
190	E	94.6	Very high	95.9	Very high	132 Å²	132	46.9 Å²	46.9	62%	0.617	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.8	-178.7	-73	-179	-162.9	0	0	112.8	R187 P215	R187-E190 PolarHBondContact O-N 3.21Å; R187-E190 VanDerWaalsContact O-N 3.14Å; E190-P215 HydrophobicContact CG-CG 4.21Å
191	S	93.1	Very high	95.9	Very high	24 Å²	24	40.1 Å²	40.1	17%	0.168	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.8	177.9	-68.2	0	0	0	0	114.6	L165 H169 F189 P193	L165-S191 WeakPolarHBondContact O-CB 3.46Å; H169-S191 PolarHBondContact ND1-O 3.18Å; F189-S191 PolarHBondContact O-N 2.78Å; S191-P193 VanDerWaalsContact O-CD 3.3Å; S191-P193 WeakPolarHBondContact O-CD 3.48Å
192	T	95.6	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.			trans	-120.7	53.9	-172	64.3	0	0	0	0	113.2	L165 L168 L171 F189 N194 L195	L165-T192 HydrophobicContact CB-CG2 3.95Å; L165-T192 HydrophobicContact CD1-CG2 4.36Å; L168-T192 HydrophobicContact CB-CG2 4.28Å; L171-T192 HydrophobicContact CB-CG2 4.46Å; L171-T192 HydrophobicContact CD2-CG2 4.17Å; F189-T192 PolarHBondContact O-N 2.88Å; F189-T192 VanDerWaalsContact O-N 3.14Å; F189-T192 PolarHBondContact O-OG1 3.35Å; T192-N194 PolarHBondContact O-N 3.24Å; T192-L195 WeakPolarHBondContact O-CB 3.39Å; T192-L195 PolarHBondContact O-N 2.78Å
193	P	93.1	Very high	96	Very high	46 Å²	46	38.7 Å²	38.7	30%	0.299	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.7	-175.9	31.1	-37.6	0	0	0	114	S191 V217 N218	S191-P193 VanDerWaalsContact O-CD 3.3Å; S191-P193 WeakPolarHBondContact O-CD 3.48Å; P193-V217 HydrophobicContact CB-CG2 4.41Å; P193-N218 WeakPolarHBondContact O-CB 3.35Å; P193-N218 PolarHBondContact O-ND2 3.34Å
194	N	95.4	Very high	96	Very high	64 Å²	64	39.5 Å²	39.5	34%	0.342	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.2	-179.9	-68.2	-38.2	0	0	0	114.1	H169 L171 L172 T192 E196 N218	H169-N194 PolarHBondContact O-ND2 2.83Å; L171-N194 CarbonylContact O-C 3.55Å; L172-N194 HydrophobicContact CD2-CB 4.5Å; T192-N194 PolarHBondContact O-N 3.24Å; N194-E196 PolarHBondContact O-N 2.71Å; N194-N218 PolarHBondContact OD1-ND2 3.09Å
195	L	97.4	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.			trans	-62.5	122.4	-178.1	-166.2	75.9	0	0	0	110.7	L171 L174 T192 L198 L216 N218 L219	L171-L195 HydrophobicContact CB-CD1 4.49Å; L171-L195 HydrophobicContact CD2-CD1 4.06Å; L171-L195 HydrophobicContact CG-CD1 3.97Å; L171-L195 VanDerWaalsContact O-CA 3.26Å; L171-L195 WeakPolarHBondContact O-CA 3.25Å; L171-L195 PolarHBondContact O-N 2.87Å; L174-L195 HydrophobicContact CB-CD1 3.66Å; L174-L195 HydrophobicContact CB-CD2 4.15Å; L174-L195 HydrophobicContact CD2-CD2 4.46Å; T192-L195 WeakPolarHBondContact O-CB 3.39Å; T192-L195 PolarHBondContact O-N 2.78Å; L195-L198 HydrophobicContact CD2-CB 3.93Å; L195-L198 HydrophobicContact CD2-CD1 4.27Å; L195-L198 HydrophobicContact CD2-CG 4.5Å; L195-L216 HydrophobicContact CB-CD2 3.96Å; L195-L216 HydrophobicContact CD2-CD2 3.81Å; L195-N218 CarbonylContact O-C 3.51Å; L195-L219 HydrophobicContact CD2-CD1 4.19Å; L195-L219 HydrophobicContact CG-CD1 4.23Å; L195-L219 VanDerWaalsContact O-CA 3.22Å; L195-L219 WeakPolarHBondContact O-CA 3.37Å; L195-L219 PolarHBondContact O-N 3.04Å
196	E	97.4	Very high	95.7	Very high	52 Å²	52	44.1 Å²	44.1	24%	0.243	23%	0.232	C	C	.	.			trans	-96.9	-31.3	178.3	-62.7	-160.4	133.6	0	0	112.3	L172 N194 R220 S221	L172-E196 HydrophobicContact CD2-CG 4.49Å; L172-E196 PolarHBondContact O-N 2.96Å; N194-E196 PolarHBondContact O-N 2.71Å; E196-R220 HydrophobicContact CB-CG 4.34Å; E196-R220 WeakPolarHBondContact O-CA 3.19Å; E196-R220 PolarHBondContact O-N 3.23Å; E196-R220 IonicContact OE1-CZ 2.64Å; E196-R220 IonicContact OE1-NE 3Å; E196-R220 PolarHBondContact OE1-NE 3.12Å; E196-R220 IonicContact OE1-NH2 3.89Å; E196-R220 PolarHBondContact OE1-NH2 2.69Å; E196-R220 IonicContact OE2-NE 3.6Å; E196-S221 PolarHBondContact O-N 2.64Å
197	I	98.4	Very high	95.5	Very high	41 Å²	41	43.5 Å²	43.5	21%	0.21	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.8	-177	-53.7	-177.1	0	0	0	110.3	L172 R173 L174 M199 S221	L172-I197 PolarHBondContact O-N 3.36Å; R173-I197 HydrophobicContact CG-CB 4.23Å; R173-I197 HydrophobicContact CG-CD1 4.23Å; R173-I197 HydrophobicContact CG-CG1 4.41Å; L174-I197 PolarHBondContact N-O 3.38Å; I197-M199 HydrophobicContact CG2-CG 4.31Å; I197-S221 WeakPolarHBondContact CA-O 3.24Å
198	L	98.5	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.2	172.3	178.2	58.4	0	0	0	110.4	L174 L176 F189 L195 I200 F213 L216 L219 S221 L222 V223	L174-L198 HydrophobicContact CB-CD1 4.23Å; L174-L198 HydrophobicContact CD2-CD1 4.09Å; L174-L198 HydrophobicContact CG-CD1 4.11Å; L176-L198 HydrophobicContact CD1-CD1 4.42Å; F189-L198 HydrophobicContact CE1-CD1 4.22Å; F189-L198 HydrophobicContact CE1-CD2 3.84Å; F189-L198 HydrophobicContact CE2-CD2 4.44Å; F189-L198 HydrophobicContact CZ-CD2 3.68Å; L195-L198 HydrophobicContact CD2-CB 3.93Å; L195-L198 HydrophobicContact CD2-CD1 4.27Å; L195-L198 HydrophobicContact CD2-CG 4.5Å; L198-I200 HydrophobicContact CD1-CB 4.44Å; L198-I200 HydrophobicContact CG-CB 4.48Å; L198-F213 HydrophobicContact CD2-CD1 4.22Å; L198-F213 HydrophobicContact CD2-CE1 4.15Å; L198-L216 HydrophobicContact CD2-CD1 3.76Å; L198-L219 HydrophobicContact CB-CD1 3.89Å; L198-S221 PolarHBondContact N-O 3.05Å; L198-L222 HydrophobicContact CB-CD1 4.07Å; L198-L222 HydrophobicContact CD2-CD1 3.92Å; L198-L222 HydrophobicContact CG-CD1 4.05Å; L198-V223 PolarHBondContact O-N 3.26Å
199	M	98.3	Very high	95.4	Very high	55 Å²	55	42.9 Å²	42.9	27%	0.271	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.4	170.7	-61.6	-170.7	63	0	0	109.1	L174 H175 L176 N177 I197 V223	L174-M199 PolarHBondContact O-N 3.34Å; H175-M199 PolarHBondContact CE1-SD 2.86Å; H175-M199 PolarHBondContact ND1-SD 3.32Å; L176-M199 CarbonylContact C-O 3.32Å; L176-M199 WeakPolarHBondContact CA-O 3.43Å; L176-M199 PolarHBondContact N-O 3.29Å; N177-M199 PolarHBondContact N-O 2.83Å; I197-M199 HydrophobicContact CG2-CG 4.31Å; M199-V223 HydrophobicContact CB-CB 4.43Å; M199-V223 HydrophobicContact CE-CB 4.43Å; M199-V223 HydrophobicContact CE-CG1 4.27Å; M199-V223 HydrophobicContact CE-CG2 4.41Å; M199-V223 HydrophobicContact CG-CB 4.04Å; M199-V223 HydrophobicContact CG-CG2 4Å
200	I	96.8	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.			trans	-126.7	9.1	-177.3	-163.6	161.6	0	0	0	112.8	L176 L181 I184 W188 L198 N203 V223 L224 M227	L176-I200 HydrophobicContact CB-CB 4.5Å; L176-I200 HydrophobicContact CB-CG1 4.18Å; L176-I200 HydrophobicContact CD1-CD1 4.17Å; L181-I200 HydrophobicContact CD1-CD1 4.2Å; L181-I200 HydrophobicContact CD1-CG1 4.23Å; I184-I200 HydrophobicContact CD1-CD1 4.18Å; I184-I200 HydrophobicContact CD1-CG2 4.29Å; I184-I200 HydrophobicContact CG1-CD1 4.06Å; I184-I200 HydrophobicContact CG2-CD1 4.45Å; W188-I200 HydrophobicContact CZ3-CD1 4.27Å; L198-I200 HydrophobicContact CD1-CB 4.44Å; L198-I200 HydrophobicContact CG-CB 4.48Å; I200-N203 PolarHBondContact O-ND2 2.89Å; I200-V223 PolarHBondContact N-O 2.88Å; I200-V223 VanDerWaalsContact N-O 3.16Å; I200-L224 HydrophobicContact CG2-CD2 3.64Å; I200-M227 HydrophobicContact CG2-SD 4.32Å
201	G	96.1	Very high	95.5	Very high	2 Å²	2	44 Å²	44	2%	0.021	25%	0.245	C	C	.	.			trans	-58	174	177.8	0	0	0	0	0	115.3	N177 S178 N203 V223 A225	N177-G201 CarbonylContact C-O 3.56Å; N177-G201 WeakPolarHBondContact CA-O 3.05Å; N177-G201 WeakPolarHBondContact CB-O 3.34Å; S178-G201 PolarHBondContact N-O 3.47Å; G201-N203 PolarHBondContact O-N 3.01Å; G201-N203 VanDerWaalsContact O-N 3.14Å; G201-N203 PolarHBondContact O-ND2 3.17Å; G201-V223 PolarHBondContact N-O 3.04Å; G201-A225 CarbonylContact C-O 3.59Å; G201-A225 VanDerWaalsContact C-O 3.28Å; G201-A225 WeakPolarHBondContact CA-O 3.48Å
202	E	96.3	Very high	95.6	Very high	107 Å²	107	43.2 Å²	43.2	50%	0.5	24%	0.238	S	C	.	.	S	Bend	trans	53.4	35.3	179.1	-63.7	171.7	-133.5	0	0	112.9	S178 N179 A225 G226	S178-E202 WeakPolarHBondContact CA-O 3.42Å; S178-E202 WeakPolarHBondContact CB-OE2 3.38Å; S178-E202 PolarHBondContact OG-OE2 3.46Å; N179-E202 PolarHBondContact N-O 2.99Å; E202-A225 PolarHBondContact N-O 3.26Å; E202-G226 WeakPolarHBondContact CA-O 3.35Å
203	N	96.6	Very high	95.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.011	24%	0.238	C	C	.	.	S	Bend	trans	-116.4	137.7	172.5	-83	-82.5	0	0	0	109.1	L176 N179 R180 L181 I200 G201 V205	L176-N203 PolarHBondContact O-ND2 3.38Å; N179-N203 WeakPolarHBondContact CA-OD1 3.5Å; N179-N203 WeakPolarHBondContact CB-OD1 3.17Å; N179-N203 PolarHBondContact O-OD1 2.02Å; R180-N203 PolarHBondContact N-OD1 3.37Å; L181-N203 HydrophobicContact CB-CB 4.12Å; L181-N203 VanDerWaalsContact CB-OD1 3.31Å; L181-N203 WeakPolarHBondContact CB-OD1 3.44Å; L181-N203 WeakPolarHBondContact CG-OD1 3.4Å; L181-N203 PolarHBondContact N-OD1 2.91Å; I200-N203 PolarHBondContact O-ND2 2.89Å; G201-N203 PolarHBondContact O-N 3.01Å; G201-N203 VanDerWaalsContact O-N 3.14Å; G201-N203 PolarHBondContact O-ND2 3.17Å; N203-V205 HydrophobicContact CB-CG2 3.98Å; N203-V205 PolarHBondContact O-N 3.31Å
204	P	94.8	Very high	95.8	Very high	75 Å²	75	46.7 Å²	46.7	49%	0.487	25%	0.249	S	C	.	.			trans	-76.7	56.4	-178.9	34.7	-38.1	0	0	0	112	L181	L181-P204 CarbonylContact O-C 3.57Å; L181-P204 VanDerWaalsContact O-C 3.3Å; L181-P204 VanDerWaalsContact O-CD 3.31Å; L181-P204 WeakPolarHBondContact O-CD 3.45Å
205	V	94.1	Very high	95.9	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.042	24%	0.242	C	C	.	.			trans	-75.7	125.7	-178.3	168.8	0	0	0	0	109.8	L181 K182 I184 N203 G207 M227	L181-V205 WeakPolarHBondContact O-CG2 3.19Å; L181-V205 PolarHBondContact O-N 3.21Å; K182-V205 WeakPolarHBondContact O-CA 3.38Å; I184-V205 HydrophobicContact CG1-CG1 4.33Å; I184-V205 HydrophobicContact CG1-CG2 4.27Å; N203-V205 HydrophobicContact CB-CG2 3.98Å; N203-V205 PolarHBondContact O-N 3.31Å; V205-G207 VanDerWaalsContact CG1-O 3.24Å; V205-G207 WeakPolarHBondContact CG1-O 3.32Å; V205-G207 PolarHBondContact O-N 3.19Å; V205-M227 HydrophobicContact CB-CE 3.57Å; V205-M227 HydrophobicContact CG1-CE 4.03Å; V205-M227 HydrophobicContact CG2-CE 3.5Å; V205-M227 VanDerWaalsContact CG2-CE 3.5Å
206	V	89.9	Confident	95.9	Very high	140 Å²	140	45.1 Å²	45.1	85%	0.848	24%	0.242	S	C	*	.			trans	-63.4	-27.3	-177.4	177.8	0	0	0	0	112.4	K182	K182-V206 PolarHBondContact O-N 2.73Å
207	G	90.5	Very high	95.8	Very high	28 Å²	28	45.9 Å²	45.9	29%	0.289	25%	0.25	S	C	.	.			trans	169	170.2	175.1	0	0	0	0	0	111.5	V205	V205-G207 VanDerWaalsContact CG1-O 3.24Å; V205-G207 WeakPolarHBondContact CG1-O 3.32Å; V205-G207 PolarHBondContact O-N 3.19Å
208	I	95.2	Very high	95.7	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.041	26%	0.256	C	S	.	.			trans	-93.7	148.5	172.2	-60.3	169	0	0	0	108.2	N212 F213 L224 L229 P233 A236	I208-N212 HydrophobicContact CG2-CB 3.96Å; I208-F213 HydrophobicContact CD1-CE2 4.41Å; I208-F213 HydrophobicContact CG2-CE2 3.92Å; I208-L224 HydrophobicContact CD1-CD1 3.75Å; I208-L224 HydrophobicContact CD1-CD2 4.43Å; I208-L229 HydrophobicContact CD1-CD1 3.7Å; I208-L229 HydrophobicContact CD1-CD2 4.21Å; I208-L229 HydrophobicContact CG1-CD1 4.4Å; I208-L229 HydrophobicContact CG1-CD2 4.03Å; I208-P233 WeakPolarHBondContact O-CD 3.48Å; I208-P233 WeakPolarHBondContact O-CG 3.46Å; I208-A236 HydrophobicContact CG2-CB 3.8Å
209	L	95.3	Very high	95.6	Very high	117 Å²	117	46.9 Å²	46.9	61%	0.613	26%	0.256	S	S	*	.			trans	-105.3	162	174.9	-57.1	177.5	0	0	0	111.5	N212	L209-N212 WeakPolarHBondContact CB-OD1 3.47Å; L209-N212 PolarHBondContact N-OD1 3.3Å; L209-N212 WeakPolarHBondContact O-CB 3.32Å; L209-N212 PolarHBondContact O-N 2.69Å
210	D	96.8	Very high	95.6	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.364	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.5	170.4	-89.1	-12	0	0	0	110.7	N212 P233 N235 A236	D210-N212 PolarHBondContact O-N 3.26Å; D210-P233 WeakPolarHBondContact OD1-CB 3.37Å; D210-N235 HydrophobicContact CB-CB 4.13Å; D210-N235 VanDerWaalsContact OD1-CA 3.26Å; D210-N235 WeakPolarHBondContact OD1-CA 2.97Å; D210-N235 VanDerWaalsContact OD1-CB 3.32Å; D210-N235 WeakPolarHBondContact OD1-CB 3.36Å; D210-N235 PolarHBondContact OD1-N 3.12Å; D210-N235 PolarHBondContact OD2-ND2 3.01Å; D210-A236 PolarHBondContact OD1-N 2.62Å
211	F	96.5	Very high	95.7	Very high	89 Å²	89	50.7 Å²	50.7	39%	0.39	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	15.2	-179.2	-43.2	-75.9	0	0	0	116.3	F213 K214 N235 V238	F211-F213 PolarHBondContact O-N 3.22Å; F211-K214 HydrophobicContact CB-CB 4.14Å; F211-K214 HydrophobicContact CB-CD 4.23Å; F211-K214 HydrophobicContact CD1-CD 4.32Å; F211-K214 VanDerWaalsContact O-CB 3.25Å; F211-K214 WeakPolarHBondContact O-CB 3.31Å; F211-K214 PolarHBondContact O-N 3.48Å; F211-K214 VanDerWaalsContact O-N 3.07Å; F211-N235 HydrophobicContact CD1-CB 4.49Å; F211-N235 HydrophobicContact CE1-CB 3.95Å; F211-N235 HydrophobicContact CE2-CB 4.41Å; F211-N235 HydrophobicContact CZ-CB 3.9Å; F211-N235 PolarHBondContact N-O 3Å; F211-V238 HydrophobicContact CD1-CB 3.8Å; F211-V238 HydrophobicContact CD1-CG1 3.93Å; F211-V238 HydrophobicContact CE1-CB 3.91Å; F211-V238 HydrophobicContact CE1-CG1 3.86Å; F211-V238 HydrophobicContact CE1-CG2 4.31Å
212	N	95.1	Very high	95.8	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.032	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.2	-172.7	-126.9	132	0	0	0	114.7	I184 S186 I208 L209 D210	I184-N212 WeakPolarHBondContact CG2-ND2 3.13Å; I184-N212 PolarHBondContact O-ND2 3.18Å; S186-N212 VanDerWaalsContact CA-O 3.29Å; S186-N212 WeakPolarHBondContact CA-O 3.08Å; S186-N212 VanDerWaalsContact CB-O 3.22Å; S186-N212 WeakPolarHBondContact CB-O 3.49Å; I208-N212 HydrophobicContact CG2-CB 3.96Å; L209-N212 WeakPolarHBondContact CB-OD1 3.47Å; L209-N212 PolarHBondContact N-OD1 3.3Å; L209-N212 WeakPolarHBondContact O-CB 3.32Å; L209-N212 PolarHBondContact O-N 2.69Å; D210-N212 PolarHBondContact O-N 3.26Å
213	F	97	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	8.4	-176.1	-55.1	-75.4	0	0	0	113.4	I184 F189 L198 I208 F211 P215 L216 L222 L224 F237 L240	I184-F213 HydrophobicContact CD1-CE1 4.05Å; I184-F213 HydrophobicContact CD1-CZ 3.69Å; I184-F213 HydrophobicContact CG2-CE1 4.2Å; F189-F213 HydrophobicContact CE2-CD1 4.31Å; L198-F213 HydrophobicContact CD2-CD1 4.22Å; L198-F213 HydrophobicContact CD2-CE1 4.15Å; I208-F213 HydrophobicContact CD1-CE2 4.41Å; I208-F213 HydrophobicContact CG2-CE2 3.92Å; F211-F213 PolarHBondContact O-N 3.22Å; F213-P215 VanDerWaalsContact C-N 3.32Å; F213-P215 VanDerWaalsContact O-N 3.12Å; F213-L216 HydrophobicContact CB-CD1 4.29Å; F213-L216 HydrophobicContact CD1-CD1 4.1Å; F213-L216 WeakPolarHBondContact O-CB 3.37Å; F213-L216 PolarHBondContact O-N 2.81Å; F213-L222 HydrophobicContact CD1-CD1 4.49Å; F213-L222 HydrophobicContact CD1-CD2 4.42Å; F213-L222 HydrophobicContact CD2-CD2 4.14Å; F213-L222 HydrophobicContact CE1-CD1 4.14Å; F213-L222 HydrophobicContact CE1-CD2 4.38Å; F213-L222 HydrophobicContact CE2-CD2 4.1Å; F213-L222 HydrophobicContact CG-CD2 4.29Å; F213-L222 HydrophobicContact CZ-CD1 4.47Å; F213-L222 HydrophobicContact CZ-CD2 4.23Å; F213-L224 HydrophobicContact CZ-CD2 3.91Å; F213-F237 AromaticContact CD2-CD1 3.96Å; F213-F237 HydrophobicContact CD2-CD1 3.96Å; F213-F237 HydrophobicContact CD2-CE1 4.1Å; F213-F237 HydrophobicContact CE2-CD1 4.28Å; F213-F237 AromaticContact CE2-CE1 3.94Å; F213-F237 HydrophobicContact CE2-CE1 3.94Å; F213-L240 HydrophobicContact CB-CD1 3.87Å; F213-L240 HydrophobicContact CB-CD2 3.89Å; F213-L240 HydrophobicContact CB-CG 4.08Å; F213-L240 HydrophobicContact CG-CD1 4.4Å; F213-L240 WeakPolarHBondContact O-CD2 3.46Å
214	K	96.7	Very high	96	Very high	119 Å²	119	46.7 Å²	46.7	52%	0.517	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-33.5	-172.8	-177.4	179.9	175.2	-173.5	0	116	F211 L216 V238	F211-K214 HydrophobicContact CB-CB 4.14Å; F211-K214 HydrophobicContact CB-CD 4.23Å; F211-K214 HydrophobicContact CD1-CD 4.32Å; F211-K214 VanDerWaalsContact O-CB 3.25Å; F211-K214 WeakPolarHBondContact O-CB 3.31Å; F211-K214 PolarHBondContact O-N 3.48Å; F211-K214 VanDerWaalsContact O-N 3.07Å; K214-L216 VanDerWaalsContact C-N 3.26Å; K214-L216 PolarHBondContact O-N 2.93Å; K214-V238 WeakPolarHBondContact CA-O 3.07Å; K214-V238 WeakPolarHBondContact CB-O 3.42Å
215	P	96.4	Very high	96.1	Very high	31 Å²	31	43.8 Å²	43.8	20%	0.201	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.4	176.7	-23.2	36.2	0	0	0	114.9	F189 E190 F213 V217	F189-P215 HydrophobicContact CB-CB 4.08Å; F189-P215 HydrophobicContact CB-CG 4.31Å; E190-P215 HydrophobicContact CG-CG 4.21Å; F213-P215 VanDerWaalsContact C-N 3.32Å; F213-P215 VanDerWaalsContact O-N 3.12Å; P215-V217 PolarHBondContact O-N 3.39Å
216	L	96.8	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.			trans	-83.7	58.7	-171.4	-60.9	174.7	0	0	0	112.2	F189 L195 L198 F213 K214 N218 L219 L240	F189-L216 HydrophobicContact CB-CD1 4.35Å; F189-L216 HydrophobicContact CB-CD2 3.61Å; F189-L216 HydrophobicContact CB-CG 3.81Å; F189-L216 HydrophobicContact CD1-CD1 4.03Å; F189-L216 HydrophobicContact CD1-CD2 3.86Å; F189-L216 HydrophobicContact CD1-CG 4.28Å; F189-L216 HydrophobicContact CD2-CD1 4.05Å; F189-L216 HydrophobicContact CD2-CG 4.38Å; F189-L216 HydrophobicContact CE1-CD1 4.36Å; F189-L216 HydrophobicContact CE2-CD1 4.38Å; F189-L216 HydrophobicContact CG-CD1 3.87Å; F189-L216 HydrophobicContact CG-CD2 3.84Å; F189-L216 HydrophobicContact CG-CG 3.9Å; L195-L216 HydrophobicContact CB-CD2 3.96Å; L195-L216 HydrophobicContact CD2-CD2 3.81Å; L198-L216 HydrophobicContact CD2-CD1 3.76Å; F213-L216 HydrophobicContact CB-CD1 4.29Å; F213-L216 HydrophobicContact CD1-CD1 4.1Å; F213-L216 WeakPolarHBondContact O-CB 3.37Å; F213-L216 PolarHBondContact O-N 2.81Å; K214-L216 VanDerWaalsContact C-N 3.26Å; K214-L216 PolarHBondContact O-N 2.93Å; L216-N218 VanDerWaalsContact C-N 3.26Å; L216-N218 PolarHBondContact O-N 3.09Å; L216-L219 HydrophobicContact CB-CB 4.01Å; L216-L219 HydrophobicContact CB-CD2 4.24Å; L216-L219 HydrophobicContact CD1-CD1 4.47Å; L216-L219 HydrophobicContact CD1-CD2 4.02Å; L216-L219 VanDerWaalsContact O-CB 3.28Å; L216-L219 WeakPolarHBondContact O-CB 3.49Å; L216-L219 PolarHBondContact O-N 3.33Å; L216-L219 VanDerWaalsContact O-N 3.14Å; L216-L240 HydrophobicContact CB-CD2 3.98Å; L216-L240 WeakPolarHBondContact O-CD2 3.42Å
217	V	94.9	Very high	96.4	Very high	68 Å²	68	37.8 Å²	37.8	41%	0.412	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.7	-171.5	-63.7	0	0	0	0	114.6	P193 P215 N242	P193-V217 HydrophobicContact CB-CG2 4.41Å; P215-V217 PolarHBondContact O-N 3.39Å; V217-N242 PolarHBondContact O-ND2 2.79Å
218	N	96.5	Very high	96.6	Very high	62 Å²	62	41.3 Å²	41.3	33%	0.332	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	6.6	179.1	-68	-30.2	0	0	0	113.7	P193 N194 L195 L216 R220	P193-N218 WeakPolarHBondContact O-CB 3.35Å; P193-N218 PolarHBondContact O-ND2 3.34Å; N194-N218 PolarHBondContact OD1-ND2 3.09Å; L195-N218 CarbonylContact O-C 3.51Å; L216-N218 VanDerWaalsContact C-N 3.26Å; L216-N218 PolarHBondContact O-N 3.09Å; N218-R220 PolarHBondContact O-N 3.2Å
219	L	98.3	Very high	96.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.			trans	-64.6	126.8	-176.4	-159	70.9	0	0	0	111.3	L195 L198 L216 L222 L240 N242 L243	L195-L219 HydrophobicContact CD2-CD1 4.19Å; L195-L219 HydrophobicContact CG-CD1 4.23Å; L195-L219 VanDerWaalsContact O-CA 3.22Å; L195-L219 WeakPolarHBondContact O-CA 3.37Å; L195-L219 PolarHBondContact O-N 3.04Å; L198-L219 HydrophobicContact CB-CD1 3.89Å; L216-L219 HydrophobicContact CB-CB 4.01Å; L216-L219 HydrophobicContact CB-CD2 4.24Å; L216-L219 HydrophobicContact CD1-CD1 4.47Å; L216-L219 HydrophobicContact CD1-CD2 4.02Å; L216-L219 VanDerWaalsContact O-CB 3.28Å; L216-L219 WeakPolarHBondContact O-CB 3.49Å; L216-L219 PolarHBondContact O-N 3.33Å; L216-L219 VanDerWaalsContact O-N 3.14Å; L219-L222 HydrophobicContact CD2-CB 3.98Å; L219-L222 HydrophobicContact CD2-CD1 4.28Å; L219-L222 HydrophobicContact CD2-CD2 4.43Å; L219-L222 HydrophobicContact CD2-CG 4.45Å; L219-L240 HydrophobicContact CB-CD2 4.11Å; L219-L240 HydrophobicContact CD2-CD1 4.35Å; L219-L240 HydrophobicContact CD2-CD2 3.95Å; L219-N242 CarbonylContact O-C 3.35Å; L219-L243 HydrophobicContact CB-CD1 4.3Å; L219-L243 HydrophobicContact CD2-CD1 3.99Å; L219-L243 HydrophobicContact CG-CD1 3.98Å; L219-L243 VanDerWaalsContact O-CA 3.22Å; L219-L243 WeakPolarHBondContact O-CA 3.34Å; L219-L243 PolarHBondContact O-N 3.33Å
220	R	98.1	Very high	96.5	Very high	110 Å²	110	39.9 Å²	39.9	42%	0.415	21%	0.213	S	C	.	.			trans	-104.4	-33.7	177.2	-61.2	-178.8	-177.5	-85.6	-1.7	112.4	E196 N218 E244 S245	E196-R220 HydrophobicContact CB-CG 4.34Å; E196-R220 WeakPolarHBondContact O-CA 3.19Å; E196-R220 PolarHBondContact O-N 3.23Å; E196-R220 IonicContact OE1-CZ 2.64Å; E196-R220 IonicContact OE1-NE 3Å; E196-R220 PolarHBondContact OE1-NE 3.12Å; E196-R220 IonicContact OE1-NH2 3.89Å; E196-R220 PolarHBondContact OE1-NH2 2.69Å; E196-R220 IonicContact OE2-NE 3.6Å; N218-R220 PolarHBondContact O-N 3.2Å; R220-E244 HydrophobicContact CB-CG 4.47Å; R220-E244 IonicContact NH1-OE1 2.65Å; R220-E244 PolarHBondContact NH1-OE1 2.83Å; R220-E244 WeakPolarHBondContact O-CA 3.18Å; R220-E244 PolarHBondContact O-N 2.75Å; R220-S245 PolarHBondContact O-N 2.79Å
221	S	98.6	Very high	96.4	Very high	25 Å²	25	40 Å²	40	18%	0.175	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.1	-176.4	-168.2	0	0	0	0	111.5	E196 I197 L198 S245	E196-S221 PolarHBondContact O-N 2.64Å; I197-S221 WeakPolarHBondContact CA-O 3.24Å; L198-S221 PolarHBondContact N-O 3.05Å; S221-S245 WeakPolarHBondContact CA-O 3.46Å
222	L	98.6	Very high	96.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.9	177.1	179.4	57.2	0	0	0	110	L198 F213 L219 L224 F237 L240 L243 S245 L246 S247	L198-L222 HydrophobicContact CB-CD1 4.07Å; L198-L222 HydrophobicContact CD2-CD1 3.92Å; L198-L222 HydrophobicContact CG-CD1 4.05Å; F213-L222 HydrophobicContact CD1-CD1 4.49Å; F213-L222 HydrophobicContact CD1-CD2 4.42Å; F213-L222 HydrophobicContact CD2-CD2 4.14Å; F213-L222 HydrophobicContact CE1-CD1 4.14Å; F213-L222 HydrophobicContact CE1-CD2 4.38Å; F213-L222 HydrophobicContact CE2-CD2 4.1Å; F213-L222 HydrophobicContact CG-CD2 4.29Å; F213-L222 HydrophobicContact CZ-CD1 4.47Å; F213-L222 HydrophobicContact CZ-CD2 4.23Å; L219-L222 HydrophobicContact CD2-CB 3.98Å; L219-L222 HydrophobicContact CD2-CD1 4.28Å; L219-L222 HydrophobicContact CD2-CD2 4.43Å; L219-L222 HydrophobicContact CD2-CG 4.45Å; L222-L224 HydrophobicContact CD1-CD2 4.04Å; L222-L224 HydrophobicContact CD1-CG 4.32Å; L222-L224 HydrophobicContact CD2-CD1 4.15Å; L222-L224 HydrophobicContact CD2-CG 4.4Å; L222-L224 HydrophobicContact CG-CD1 4.28Å; L222-L224 HydrophobicContact CG-CD2 4.25Å; L222-L224 HydrophobicContact CG-CG 4.01Å; L222-F237 HydrophobicContact CD2-CD1 4.22Å; L222-F237 HydrophobicContact CD2-CE1 4Å; L222-L240 HydrophobicContact CD2-CD1 3.94Å; L222-L243 HydrophobicContact CB-CD1 3.88Å; L222-L243 HydrophobicContact CB-CD2 4.42Å; L222-S245 PolarHBondContact N-O 2.73Å; L222-L246 HydrophobicContact CB-CD1 4.04Å; L222-L246 HydrophobicContact CD2-CD1 4.06Å; L222-L246 HydrophobicContact CG-CD1 4.04Å; L222-L246 WeakPolarHBondContact O-CA 3.37Å; L222-S247 PolarHBondContact O-N 2.96Å; L222-S247 VanDerWaalsContact O-N 3.11Å
223	V	98.4	Very high	96.5	Very high	27 Å²	27	37.9 Å²	37.9	16%	0.164	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	110.1	179.9	-175.4	0	0	0	0	110.1	L198 M199 I200 G201 A225	L198-V223 PolarHBondContact O-N 3.26Å; M199-V223 HydrophobicContact CB-CB 4.43Å; M199-V223 HydrophobicContact CE-CB 4.43Å; M199-V223 HydrophobicContact CE-CG1 4.27Å; M199-V223 HydrophobicContact CE-CG2 4.41Å; M199-V223 HydrophobicContact CG-CB 4.04Å; M199-V223 HydrophobicContact CG-CG2 4Å; I200-V223 PolarHBondContact N-O 2.88Å; I200-V223 VanDerWaalsContact N-O 3.16Å; G201-V223 PolarHBondContact N-O 3.04Å; V223-A225 HydrophobicContact CG1-CB 3.88Å
224	L	97.2	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.			trans	-110.3	34.6	179.4	-58.1	171.3	0	0	0	110.8	I200 I208 F213 L222 M227 L229 F237 L246 S247 F248 N251	I200-L224 HydrophobicContact CG2-CD2 3.64Å; I208-L224 HydrophobicContact CD1-CD1 3.75Å; I208-L224 HydrophobicContact CD1-CD2 4.43Å; F213-L224 HydrophobicContact CZ-CD2 3.91Å; L222-L224 HydrophobicContact CD1-CD2 4.04Å; L222-L224 HydrophobicContact CD1-CG 4.32Å; L222-L224 HydrophobicContact CD2-CD1 4.15Å; L222-L224 HydrophobicContact CD2-CG 4.4Å; L222-L224 HydrophobicContact CG-CD1 4.28Å; L222-L224 HydrophobicContact CG-CD2 4.25Å; L222-L224 HydrophobicContact CG-CG 4.01Å; L224-M227 VanDerWaalsContact CA-SD 3.59Å; L224-M227 HydrophobicContact CB-SD 3.8Å; L224-M227 HydrophobicContact CD2-SD 3.74Å; L224-M227 HydrophobicContact CG-SD 4.4Å; L224-L229 HydrophobicContact CB-CD1 4.4Å; L224-F237 HydrophobicContact CD1-CE1 4Å; L224-F237 HydrophobicContact CD1-CZ 4.1Å; L224-L246 HydrophobicContact CD1-CD1 4.13Å; L224-S247 WeakPolarHBondContact CA-O 3.48Å; L224-S247 PolarHBondContact N-O 3.32Å; L224-F248 HydrophobicContact CB-CD1 4.33Å; L224-F248 HydrophobicContact CD1-CD1 4.24Å; L224-F248 HydrophobicContact CD1-CE1 3.78Å; L224-N251 PolarHBondContact O-ND2 3.36Å
225	A	96.5	Very high	96.5	Very high	15 Å²	15	36.1 Å²	36.1	12%	0.124	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	143.3	-175.2	0	0	0	0	0	112.2	G201 E202 V223 M227 Y249	G201-A225 CarbonylContact C-O 3.59Å; G201-A225 VanDerWaalsContact C-O 3.28Å; G201-A225 WeakPolarHBondContact CA-O 3.48Å; E202-A225 PolarHBondContact N-O 3.26Å; V223-A225 HydrophobicContact CG1-CB 3.88Å; A225-M227 WeakPolarHBondContact O-CG 3.17Å; A225-M227 PolarHBondContact O-N 3.01Å; A225-Y249 CarbonylContact C-O 3.14Å; A225-Y249 WeakPolarHBondContact CA-O 3.45Å; A225-Y249 HydrophobicContact CB-CD1 4.3Å
226	G	95.8	Very high	96.6	Very high	21 Å²	21	34.6 Å²	34.6	22%	0.216	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	35	169.4	0	0	0	0	0	115.4	E202 Y249 D250	E202-G226 WeakPolarHBondContact CA-O 3.35Å; G226-Y249 PolarHBondContact N-O 3.14Å; G226-D250 WeakPolarHBondContact CA-O 3.49Å
227	M	95	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-104.3	9.5	-175.4	-62.5	-172.8	67.2	0	0	113.9	I184 I200 V205 L224 A225 L229 N251	I184-M227 HydrophobicContact CD1-CE 4.12Å; I200-M227 HydrophobicContact CG2-SD 4.32Å; V205-M227 HydrophobicContact CB-CE 3.57Å; V205-M227 HydrophobicContact CG1-CE 4.03Å; V205-M227 HydrophobicContact CG2-CE 3.5Å; V205-M227 VanDerWaalsContact CG2-CE 3.5Å; L224-M227 VanDerWaalsContact CA-SD 3.59Å; L224-M227 HydrophobicContact CB-SD 3.8Å; L224-M227 HydrophobicContact CD2-SD 3.74Å; L224-M227 HydrophobicContact CG-SD 4.4Å; A225-M227 WeakPolarHBondContact O-CG 3.17Å; A225-M227 PolarHBondContact O-N 3.01Å; M227-L229 HydrophobicContact CB-CD1 4.05Å; M227-L229 HydrophobicContact CB-CD2 4.46Å; M227-L229 HydrophobicContact CB-CG 3.81Å; M227-L229 PolarHBondContact O-N 2.86Å; M227-N251 WeakPolarHBondContact CA-OD1 3.39Å; M227-N251 WeakPolarHBondContact CB-OD1 3.34Å; M227-N251 PolarHBondContact N-OD1 3.01Å; M227-N251 VanDerWaalsContact N-OD1 3.13Å
228	D	94.6	Very high	96.7	Very high	101 Å²	101	33.5 Å²	33.5	54%	0.54	19%	0.194	S	C	.	.			trans	52.2	23.2	-175.8	-74.3	-38	0	0	0	115.7	T230 N251 K252	D228-T230 PolarHBondContact O-N 2.94Å; D228-N251 PolarHBondContact N-OD1 3.08Å; D228-K252 HydrophobicContact CB-CG 4.29Å; D228-K252 WeakPolarHBondContact OD1-CE 3.07Å; D228-K252 IonicContact OD1-NZ 3.77Å; D228-K252 PolarHBondContact OD1-NZ 2.73Å; D228-K252 VanDerWaalsContact OD1-NZ 3.09Å
229	L	95.2	Very high	96.6	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	19%	0.185	C	C	.	.			trans	-63.8	124.1	-176.8	-61.9	168.5	0	0	0	111.4	I208 L224 M227 F248 N251 K252 L253	I208-L229 HydrophobicContact CD1-CD1 3.7Å; I208-L229 HydrophobicContact CD1-CD2 4.21Å; I208-L229 HydrophobicContact CG1-CD1 4.4Å; I208-L229 HydrophobicContact CG1-CD2 4.03Å; L224-L229 HydrophobicContact CB-CD1 4.4Å; M227-L229 HydrophobicContact CB-CD1 4.05Å; M227-L229 HydrophobicContact CB-CD2 4.46Å; M227-L229 HydrophobicContact CB-CG 3.81Å; M227-L229 PolarHBondContact O-N 2.86Å; L229-F248 HydrophobicContact CD1-CD1 4.44Å; L229-N251 HydrophobicContact CB-CB 4.2Å; L229-N251 WeakPolarHBondContact CB-OD1 3.32Å; L229-N251 WeakPolarHBondContact CG-OD1 3.36Å; L229-N251 PolarHBondContact N-OD1 3.35Å; L229-K252 CarbonylContact O-C 3.55Å; L229-K252 VanDerWaalsContact O-CA 3.26Å; L229-K252 WeakPolarHBondContact O-CA 3.45Å; L229-K252 PolarHBondContact O-N 2.91Å; L229-L253 HydrophobicContact CB-CD2 4.31Å; L229-L253 WeakPolarHBondContact O-CD2 3.28Å; L229-L253 PolarHBondContact O-N 3.21Å; L229-L253 VanDerWaalsContact O-N 3.08Å
230	T	94.4	Very high	96.6	Very high	92 Å²	92	31.2 Å²	31.2	56%	0.564	19%	0.185	S	C	*	.			trans	-94.3	-27.7	179.1	53.3	0	0	0	0	113.6	D228 K252	D228-T230 PolarHBondContact O-N 2.94Å; T230-K252 HydrophobicContact CG2-CB 3.99Å
231	D	94.6	Very high	96.4	Very high	70 Å²	70	30.5 Å²	30.5	37%	0.374	19%	0.19	S	C	.	.			trans	-153.2	164.1	177	-152.4	-6	0	0	0	110.2	R255	D231-R255 IonicContact OD1-NE 2.74Å; D231-R255 IonicContact OD2-CZ 2.73Å; D231-R255 IonicContact OD2-NE 3.57Å; D231-R255 IonicContact OD2-NH2 3.46Å; D231-R255 PolarHBondContact OD2-NH2 2.89Å
232	V	96.6	Very high	96.3	Very high	10 Å²	10	33 Å²	33	6%	0.061	20%	0.201	C	C	.	.			trans	-130.9	124.8	179.1	-175.9	0	0	0	0	110.2	A236 F237 F248 L253 P257 A260	V232-A236 HydrophobicContact CG1-CB 3.85Å; V232-F237 HydrophobicContact CG1-CE2 3.75Å; V232-F237 HydrophobicContact CG1-CZ 3.84Å; V232-F248 HydrophobicContact CG2-CE1 3.83Å; V232-F248 HydrophobicContact CG2-CZ 4.2Å; V232-L253 HydrophobicContact CG2-CD2 3.96Å; V232-P257 HydrophobicContact CB-CB 3.79Å; V232-P257 HydrophobicContact CB-CG 4.47Å; V232-P257 HydrophobicContact CG2-CB 4.1Å; V232-P257 HydrophobicContact CG2-CG 4.32Å; V232-A260 HydrophobicContact CG1-CB 4.07Å
233	P	96.7	Very high	96.3	Very high	40 Å²	40	33 Å²	33	26%	0.26	20%	0.201	S	C	.	.			trans	-59.4	143.9	178.7	-25.9	34.8	0	0	0	114	I208 D210 N235 A236 A260	I208-P233 WeakPolarHBondContact O-CD 3.48Å; I208-P233 WeakPolarHBondContact O-CG 3.46Å; D210-P233 WeakPolarHBondContact OD1-CB 3.37Å; P233-N235 PolarHBondContact O-N 3.06Å; P233-N235 VanDerWaalsContact O-N 3.1Å; P233-A236 HydrophobicContact CB-CB 4.33Å; P233-A236 VanDerWaalsContact O-CB 3.25Å; P233-A236 WeakPolarHBondContact O-CB 3.36Å; P233-A236 PolarHBondContact O-N 2.81Å; P233-A260 WeakPolarHBondContact O-CB 3.45Å
234	G	96.6	Very high	96.3	Very high	25 Å²	25	34.2 Å²	34.2	26%	0.258	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.9	-173.9	0	0	0	0	0	115.8	K263	G234-K263 WeakPolarHBondContact O-CE 3.49Å
235	N	97.6	Very high	96.4	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	14.4	174.5	-45.1	-70.2	0	0	0	113	D210 F211 P233 F237 V238	D210-N235 HydrophobicContact CB-CB 4.13Å; D210-N235 VanDerWaalsContact OD1-CA 3.26Å; D210-N235 WeakPolarHBondContact OD1-CA 2.97Å; D210-N235 VanDerWaalsContact OD1-CB 3.32Å; D210-N235 WeakPolarHBondContact OD1-CB 3.36Å; D210-N235 PolarHBondContact OD1-N 3.12Å; D210-N235 PolarHBondContact OD2-ND2 3.01Å; F211-N235 HydrophobicContact CD1-CB 4.49Å; F211-N235 HydrophobicContact CE1-CB 3.95Å; F211-N235 HydrophobicContact CE2-CB 4.41Å; F211-N235 HydrophobicContact CZ-CB 3.9Å; F211-N235 PolarHBondContact N-O 3Å; P233-N235 PolarHBondContact O-N 3.06Å; P233-N235 VanDerWaalsContact O-N 3.1Å; N235-F237 PolarHBondContact O-N 2.92Å; N235-V238 HydrophobicContact CB-CG2 3.8Å; N235-V238 PolarHBondContact O-N 3Å
236	A	97.4	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-38.9	-179.6	0	0	0	0	0	113.5	I208 D210 V232 P233	I208-A236 HydrophobicContact CG2-CB 3.8Å; D210-A236 PolarHBondContact OD1-N 2.62Å; V232-A236 HydrophobicContact CG1-CB 3.85Å; P233-A236 HydrophobicContact CB-CB 4.33Å; P233-A236 VanDerWaalsContact O-CB 3.25Å; P233-A236 WeakPolarHBondContact O-CB 3.36Å; P233-A236 PolarHBondContact O-N 2.81Å
237	F	97.6	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	11.5	-175.7	-53.2	-52.7	0	0	0	115	F213 L222 L224 V232 N235 G239 L240 L246 F248 A260 L264	F213-F237 AromaticContact CD2-CD1 3.96Å; F213-F237 HydrophobicContact CD2-CD1 3.96Å; F213-F237 HydrophobicContact CD2-CE1 4.1Å; F213-F237 HydrophobicContact CE2-CD1 4.28Å; F213-F237 AromaticContact CE2-CE1 3.94Å; F213-F237 HydrophobicContact CE2-CE1 3.94Å; L222-F237 HydrophobicContact CD2-CD1 4.22Å; L222-F237 HydrophobicContact CD2-CE1 4Å; L224-F237 HydrophobicContact CD1-CE1 4Å; L224-F237 HydrophobicContact CD1-CZ 4.1Å; V232-F237 HydrophobicContact CG1-CE2 3.75Å; V232-F237 HydrophobicContact CG1-CZ 3.84Å; N235-F237 PolarHBondContact O-N 2.92Å; F237-G239 PolarHBondContact O-N 3.08Å; F237-L240 HydrophobicContact CB-CD1 4.1Å; F237-L240 HydrophobicContact CD1-CD1 3.89Å; F237-L240 HydrophobicContact CG-CD1 4.41Å; F237-L240 WeakPolarHBondContact O-CB 3.28Å; F237-L240 PolarHBondContact O-N 3.38Å; F237-L240 VanDerWaalsContact O-N 3.14Å; F237-L246 HydrophobicContact CD2-CD2 4.49Å; F237-L246 HydrophobicContact CE2-CD2 4.08Å; F237-L246 HydrophobicContact CZ-CD2 4.24Å; F237-F248 AromaticContact CE2-CZ 3.77Å; F237-F248 HydrophobicContact CE2-CZ 3.77Å; F237-F248 AromaticContact CZ-CE1 3.99Å; F237-F248 HydrophobicContact CZ-CE1 3.99Å; F237-F248 AromaticContact CZ-CZ 3.57Å; F237-F248 HydrophobicContact CZ-CZ 3.57Å; F237-A260 HydrophobicContact CD2-CB 3.82Å; F237-A260 HydrophobicContact CE2-CB 3.94Å; F237-L264 HydrophobicContact CB-CD1 4.41Å; F237-L264 HydrophobicContact CB-CD2 3.77Å; F237-L264 HydrophobicContact CB-CG 4.16Å; F237-L264 HydrophobicContact CD2-CD1 4.1Å; F237-L264 HydrophobicContact CG-CD1 4.36Å; F237-L264 HydrophobicContact CG-CD2 4.47Å
238	V	96.9	Very high	96.7	Very high	44 Å²	44	34.8 Å²	34.8	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	123.9	178	171.4	0	0	0	0	110.4	F211 K214 N235 K263	F211-V238 HydrophobicContact CD1-CB 3.8Å; F211-V238 HydrophobicContact CD1-CG1 3.93Å; F211-V238 HydrophobicContact CE1-CB 3.91Å; F211-V238 HydrophobicContact CE1-CG1 3.86Å; F211-V238 HydrophobicContact CE1-CG2 4.31Å; K214-V238 WeakPolarHBondContact CA-O 3.07Å; K214-V238 WeakPolarHBondContact CB-O 3.42Å; N235-V238 HydrophobicContact CB-CG2 3.8Å; N235-V238 PolarHBondContact O-N 3Å; V238-K263 HydrophobicContact CG2-CB 4.26Å; V238-K263 HydrophobicContact CG2-CD 4.28Å; V238-K263 HydrophobicContact CG2-CG 3.99Å
239	G	94.6	Very high	96.9	Very high	14 Å²	14	34.4 Å²	34.4	14%	0.144	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	-11.7	-173.8	0	0	0	0	0	113.9	F237 D241	F237-G239 PolarHBondContact O-N 3.08Å; G239-D241 PolarHBondContact O-N 3.23Å; G239-D241 VanDerWaalsContact O-N 3.14Å
240	L	97.3	Very high	97	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	21%	0.206	C	C	.	.			trans	-87.7	50.4	178	-60	-171.9	0	0	0	112.4	F213 L216 L219 L222 F237 N242 L243 L264	F213-L240 HydrophobicContact CB-CD1 3.87Å; F213-L240 HydrophobicContact CB-CD2 3.89Å; F213-L240 HydrophobicContact CB-CG 4.08Å; F213-L240 HydrophobicContact CG-CD1 4.4Å; F213-L240 WeakPolarHBondContact O-CD2 3.46Å; L216-L240 HydrophobicContact CB-CD2 3.98Å; L216-L240 WeakPolarHBondContact O-CD2 3.42Å; L219-L240 HydrophobicContact CB-CD2 4.11Å; L219-L240 HydrophobicContact CD2-CD1 4.35Å; L219-L240 HydrophobicContact CD2-CD2 3.95Å; L222-L240 HydrophobicContact CD2-CD1 3.94Å; F237-L240 HydrophobicContact CB-CD1 4.1Å; F237-L240 HydrophobicContact CD1-CD1 3.89Å; F237-L240 HydrophobicContact CG-CD1 4.41Å; F237-L240 WeakPolarHBondContact O-CB 3.28Å; F237-L240 PolarHBondContact O-N 3.38Å; F237-L240 VanDerWaalsContact O-N 3.14Å; L240-N242 PolarHBondContact O-N 2.65Å; L240-L243 HydrophobicContact CB-CB 4.08Å; L240-L243 HydrophobicContact CD1-CD2 4.12Å; L240-L243 WeakPolarHBondContact O-CB 3.24Å; L240-L243 PolarHBondContact O-N 2.77Å; L240-L264 HydrophobicContact CB-CD2 3.87Å
241	D	94.7	Very high	97.2	Very high	94 Å²	94	31.9 Å²	31.9	50%	0.503	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.5	-172.6	-65.4	-50.1	0	0	0	113.4	G239 N266	G239-D241 PolarHBondContact O-N 3.23Å; G239-D241 VanDerWaalsContact O-N 3.14Å; D241-N266 PolarHBondContact O-ND2 2.91Å
242	N	96.8	Very high	97.3	Very high	77 Å²	77	32.2 Å²	32.2	41%	0.412	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	3.7	-179.9	-69.3	-55.2	0	0	0	114.3	V217 L219 L240 E244	V217-N242 PolarHBondContact O-ND2 2.79Å; L219-N242 CarbonylContact O-C 3.35Å; L240-N242 PolarHBondContact O-N 2.65Å; N242-E244 WeakPolarHBondContact O-CG 3.14Å; N242-E244 PolarHBondContact O-N 2.04Å
243	L	98.4	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.			trans	-68.4	123.3	-174.5	-164.3	76.4	0	0	0	111.5	L219 L222 L240 L246 L264 N266 L267	L219-L243 HydrophobicContact CB-CD1 4.3Å; L219-L243 HydrophobicContact CD2-CD1 3.99Å; L219-L243 HydrophobicContact CG-CD1 3.98Å; L219-L243 VanDerWaalsContact O-CA 3.22Å; L219-L243 WeakPolarHBondContact O-CA 3.34Å; L219-L243 PolarHBondContact O-N 3.33Å; L222-L243 HydrophobicContact CB-CD1 3.88Å; L222-L243 HydrophobicContact CB-CD2 4.42Å; L240-L243 HydrophobicContact CB-CB 4.08Å; L240-L243 HydrophobicContact CD1-CD2 4.12Å; L240-L243 WeakPolarHBondContact O-CB 3.24Å; L240-L243 PolarHBondContact O-N 2.77Å; L243-L246 HydrophobicContact CD2-CB 4.18Å; L243-L246 HydrophobicContact CD2-CD1 4.5Å; L243-L264 HydrophobicContact CB-CD2 4.11Å; L243-L264 HydrophobicContact CD2-CD1 4.07Å; L243-L264 HydrophobicContact CD2-CD2 3.75Å; L243-N266 CarbonylContact O-C 3.14Å; L243-L267 HydrophobicContact CD2-CD1 4.29Å; L243-L267 HydrophobicContact CG-CD1 4.42Å; L243-L267 WeakPolarHBondContact O-CA 3.47Å; L243-L267 PolarHBondContact O-N 3.32Å
244	E	98.4	Very high	97.2	Very high	53 Å²	53	35.3 Å²	35.3	25%	0.248	19%	0.19	C	C	.	.			trans	-105.5	-28.4	-178.7	-50.8	-162.1	165.3	0	0	112.5	R220 N242 K268 F269	R220-E244 HydrophobicContact CB-CG 4.47Å; R220-E244 IonicContact NH1-OE1 2.65Å; R220-E244 PolarHBondContact NH1-OE1 2.83Å; R220-E244 WeakPolarHBondContact O-CA 3.18Å; R220-E244 PolarHBondContact O-N 2.75Å; N242-E244 WeakPolarHBondContact O-CG 3.14Å; N242-E244 PolarHBondContact O-N 2.04Å; E244-K268 HydrophobicContact CB-CD 4.2Å; E244-K268 HydrophobicContact CB-CG 4.45Å; E244-K268 HydrophobicContact CG-CD 4.47Å; E244-K268 WeakPolarHBondContact O-CA 3.47Å; E244-K268 WeakPolarHBondContact O-CB 3.21Å; E244-K268 PolarHBondContact O-N 2.85Å; E244-K268 IonicContact OE1-NZ 3.95Å; E244-K268 PolarHBondContact OE1-NZ 2.97Å; E244-K268 WeakPolarHBondContact OE2-CE 3.49Å; E244-K268 IonicContact OE2-NZ 2.77Å; E244-K268 PolarHBondContact OE2-NZ 3.11Å; E244-F269 PolarHBondContact O-N 3.17Å
245	S	98.6	Very high	97.1	Very high	35 Å²	35	41 Å²	41	25%	0.245	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133	-177.1	-173.7	0	0	0	0	111.8	R220 S221 L222	R220-S245 PolarHBondContact O-N 2.79Å; S221-S245 WeakPolarHBondContact CA-O 3.46Å; L222-S245 PolarHBondContact N-O 2.73Å
246	L	98.6	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	124.5	176.3	-179.8	58.8	0	0	0	109.9	L222 L224 F237 L243 F248 L261 L264 L267 F269 L270 D271	L222-L246 HydrophobicContact CB-CD1 4.04Å; L222-L246 HydrophobicContact CD2-CD1 4.06Å; L222-L246 HydrophobicContact CG-CD1 4.04Å; L222-L246 WeakPolarHBondContact O-CA 3.37Å; L224-L246 HydrophobicContact CD1-CD1 4.13Å; F237-L246 HydrophobicContact CD2-CD2 4.49Å; F237-L246 HydrophobicContact CE2-CD2 4.08Å; F237-L246 HydrophobicContact CZ-CD2 4.24Å; L243-L246 HydrophobicContact CD2-CB 4.18Å; L243-L246 HydrophobicContact CD2-CD1 4.5Å; L246-F248 HydrophobicContact CD1-CE2 4.36Å; L246-F248 HydrophobicContact CD1-CZ 4.34Å; L246-F248 HydrophobicContact CD2-CD2 4.46Å; L246-F248 HydrophobicContact CD2-CE2 3.53Å; L246-F248 HydrophobicContact CD2-CZ 3.83Å; L246-F248 HydrophobicContact CG-CD2 4.24Å; L246-F248 HydrophobicContact CG-CE2 3.75Å; L246-F248 HydrophobicContact CG-CZ 4.18Å; L246-L261 HydrophobicContact CD2-CD2 3.97Å; L246-L264 HydrophobicContact CD2-CD1 3.62Å; L246-L267 HydrophobicContact CB-CD1 3.72Å; L246-L267 HydrophobicContact CB-CD2 4.44Å; L246-F269 PolarHBondContact N-O 2.9Å; L246-L270 HydrophobicContact CB-CD1 4.43Å; L246-L270 HydrophobicContact CG-CD1 4.45Å; L246-D271 PolarHBondContact O-N 2.67Å
247	S	98.4	Very high	97.1	Very high	13 Å²	13	38.9 Å²	38.9	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.2	174.2	175.3	0	0	0	0	112	L222 L224 Y249 D271	L222-S247 PolarHBondContact O-N 2.96Å; L222-S247 VanDerWaalsContact O-N 3.11Å; L224-S247 WeakPolarHBondContact CA-O 3.48Å; L224-S247 PolarHBondContact N-O 3.32Å; S247-Y249 WeakPolarHBondContact OG-CB 3.46Å; S247-Y249 PolarHBondContact OG-N 3.01Å; S247-D271 WeakPolarHBondContact CB-OD2 3.31Å; S247-D271 PolarHBondContact OG-OD2 2.77Å
248	F	97.9	Very high	96.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.			trans	-110.6	25.3	168	-63.7	-77.9	0	0	0	111.6	L224 L229 V232 F237 L246 D250 N251 L253 P257 L261 L270 D271 L272 N275	L224-F248 HydrophobicContact CB-CD1 4.33Å; L224-F248 HydrophobicContact CD1-CD1 4.24Å; L224-F248 HydrophobicContact CD1-CE1 3.78Å; L229-F248 HydrophobicContact CD1-CD1 4.44Å; V232-F248 HydrophobicContact CG2-CE1 3.83Å; V232-F248 HydrophobicContact CG2-CZ 4.2Å; F237-F248 AromaticContact CE2-CZ 3.77Å; F237-F248 HydrophobicContact CE2-CZ 3.77Å; F237-F248 AromaticContact CZ-CE1 3.99Å; F237-F248 HydrophobicContact CZ-CE1 3.99Å; F237-F248 AromaticContact CZ-CZ 3.57Å; F237-F248 HydrophobicContact CZ-CZ 3.57Å; L246-F248 HydrophobicContact CD1-CE2 4.36Å; L246-F248 HydrophobicContact CD1-CZ 4.34Å; L246-F248 HydrophobicContact CD2-CD2 4.46Å; L246-F248 HydrophobicContact CD2-CE2 3.53Å; L246-F248 HydrophobicContact CD2-CZ 3.83Å; L246-F248 HydrophobicContact CG-CD2 4.24Å; L246-F248 HydrophobicContact CG-CE2 3.75Å; L246-F248 HydrophobicContact CG-CZ 4.18Å; F248-D250 PolarHBondContact O-N 3.29Å; F248-N251 VanDerWaalsContact C-ND2 3.28Å; F248-N251 PolarHBondContact O-N 3.23Å; F248-N251 PolarHBondContact O-ND2 2.8Å; F248-L253 HydrophobicContact CB-CD1 3.92Å; F248-L253 HydrophobicContact CD1-CD1 4.07Å; F248-L253 HydrophobicContact CD2-CD1 4.44Å; F248-L253 HydrophobicContact CG-CD1 3.92Å; F248-P257 HydrophobicContact CE2-CG 4.25Å; F248-P257 HydrophobicContact CZ-CG 4.31Å; F248-L261 HydrophobicContact CE2-CD2 4.34Å; F248-L270 HydrophobicContact CD2-CD1 4.22Å; F248-L270 HydrophobicContact CE2-CD1 4.32Å; F248-D271 PolarHBondContact N-O 2.79Å; F248-L272 HydrophobicContact CB-CD2 4.29Å; F248-L272 HydrophobicContact CD2-CD2 3.75Å; F248-L272 HydrophobicContact CG-CD2 4.39Å; F248-N275 PolarHBondContact O-ND2 3.34Å
249	Y	97.9	Very high	96.9	Very high	93 Å²	93	44.2 Å²	44.2	37%	0.365	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	131.1	-179.8	-179.4	-89.9	0	0	0	112.2	A225 G226 S247 N251 N273 K274	A225-Y249 CarbonylContact C-O 3.14Å; A225-Y249 WeakPolarHBondContact CA-O 3.45Å; A225-Y249 HydrophobicContact CB-CD1 4.3Å; G226-Y249 PolarHBondContact N-O 3.14Å; S247-Y249 WeakPolarHBondContact OG-CB 3.46Å; S247-Y249 PolarHBondContact OG-N 3.01Å; Y249-N251 PolarHBondContact O-N 3.43Å; Y249-N251 PolarHBondContact O-ND2 3.05Å; Y249-N273 WeakPolarHBondContact CA-O 3.39Å; Y249-N273 HydrophobicContact CD2-CB 3.92Å; Y249-N273 HydrophobicContact CE2-CB 4.33Å; Y249-K274 HydrophobicContact CE1-CD 4.25Å; Y249-K274 HydrophobicContact CE2-CB 4.47Å
250	D	97.3	Very high	97	Very high	42 Å²	42	43.5 Å²	43.5	23%	0.225	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	40.3	174.2	-157.2	15.4	0	0	0	116.2	G226 F248 K252 N273 K274	G226-D250 WeakPolarHBondContact CA-O 3.49Å; F248-D250 PolarHBondContact O-N 3.29Å; D250-K252 IonicContact OD1-NZ 2.71Å; D250-N273 PolarHBondContact N-O 3.22Å; D250-K274 HydrophobicContact CB-CB 4.43Å; D250-K274 HydrophobicContact CB-CD 3.83Å; D250-K274 HydrophobicContact CB-CG 4.31Å; D250-K274 WeakPolarHBondContact OD1-CD 3.46Å; D250-K274 WeakPolarHBondContact OD1-CE 3.4Å; D250-K274 IonicContact OD1-NZ 3.58Å; D250-K274 PolarHBondContact OD1-NZ 2.99Å; D250-K274 WeakPolarHBondContact OD2-CE 3.26Å; D250-K274 IonicContact OD2-NZ 3.79Å; D250-K274 PolarHBondContact OD2-NZ 2.86Å
251	N	97.6	Very high	97	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.212	C	C	.	.			trans	-97.1	-167.1	170.1	-77.7	-79.4	0	0	0	111.6	L224 M227 D228 L229 F248 Y249 L253 N275	L224-N251 PolarHBondContact O-ND2 3.36Å; M227-N251 WeakPolarHBondContact CA-OD1 3.39Å; M227-N251 WeakPolarHBondContact CB-OD1 3.34Å; M227-N251 PolarHBondContact N-OD1 3.01Å; M227-N251 VanDerWaalsContact N-OD1 3.13Å; D228-N251 PolarHBondContact N-OD1 3.08Å; L229-N251 HydrophobicContact CB-CB 4.2Å; L229-N251 WeakPolarHBondContact CB-OD1 3.32Å; L229-N251 WeakPolarHBondContact CG-OD1 3.36Å; L229-N251 PolarHBondContact N-OD1 3.35Å; F248-N251 VanDerWaalsContact C-ND2 3.28Å; F248-N251 PolarHBondContact O-N 3.23Å; F248-N251 PolarHBondContact O-ND2 2.8Å; Y249-N251 PolarHBondContact O-N 3.43Å; Y249-N251 PolarHBondContact O-ND2 3.05Å; N251-L253 HydrophobicContact CB-CG 4.24Å; N251-N275 WeakPolarHBondContact CA-OD1 3.37Å; N251-N275 WeakPolarHBondContact CB-OD1 3.4Å; N251-N275 PolarHBondContact N-OD1 3.21Å; N251-N275 PolarHBondContact O-OD1 3.34Å
252	K	96.8	Very high	97	Very high	77 Å²	77	44 Å²	44	34%	0.335	21%	0.211	S	C	.	.			trans	-119.3	26.8	-177.8	-54.9	-64.9	171.6	-87.1	0	111.3	D228 L229 T230 D250 I254 N275	D228-K252 HydrophobicContact CB-CG 4.29Å; D228-K252 WeakPolarHBondContact OD1-CE 3.07Å; D228-K252 IonicContact OD1-NZ 3.77Å; D228-K252 PolarHBondContact OD1-NZ 2.73Å; D228-K252 VanDerWaalsContact OD1-NZ 3.09Å; L229-K252 CarbonylContact O-C 3.55Å; L229-K252 VanDerWaalsContact O-CA 3.26Å; L229-K252 WeakPolarHBondContact O-CA 3.45Å; L229-K252 PolarHBondContact O-N 2.91Å; T230-K252 HydrophobicContact CG2-CB 3.99Å; D250-K252 IonicContact OD1-NZ 2.71Å; K252-I254 PolarHBondContact O-N 2.85Å; K252-N275 PolarHBondContact N-OD1 3.36Å
253	L	96.8	Very high	96.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.21	C	C	.	.			trans	-65.8	116.3	-179.2	-59.1	175.6	0	0	0	110	L229 V232 F248 N251 R255 L272 N275 P276 V277	L229-L253 HydrophobicContact CB-CD2 4.31Å; L229-L253 WeakPolarHBondContact O-CD2 3.28Å; L229-L253 PolarHBondContact O-N 3.21Å; L229-L253 VanDerWaalsContact O-N 3.08Å; V232-L253 HydrophobicContact CG2-CD2 3.96Å; F248-L253 HydrophobicContact CB-CD1 3.92Å; F248-L253 HydrophobicContact CD1-CD1 4.07Å; F248-L253 HydrophobicContact CD2-CD1 4.44Å; F248-L253 HydrophobicContact CG-CD1 3.92Å; N251-L253 HydrophobicContact CB-CG 4.24Å; L253-R255 VanDerWaalsContact C-N 3.32Å; L253-L272 HydrophobicContact CD1-CD2 4.34Å; L253-N275 HydrophobicContact CB-CB 4.29Å; L253-N275 WeakPolarHBondContact CB-OD1 3.23Å; L253-N275 WeakPolarHBondContact CG-OD1 3.46Å; L253-N275 PolarHBondContact N-OD1 2.91Å; L253-N275 VanDerWaalsContact N-OD1 3.13Å; L253-P276 CarbonylContact O-C 3.58Å; L253-P276 VanDerWaalsContact O-C 3.31Å; L253-P276 WeakPolarHBondContact O-CD 3.48Å; L253-V277 VanDerWaalsContact O-CG2 3.25Å; L253-V277 WeakPolarHBondContact O-CG2 3.49Å; L253-V277 PolarHBondContact O-N 3.35Å
254	I	94.7	Very high	96.9	Very high	114 Å²	114	45 Å²	45	59%	0.585	21%	0.212	S	C	*	.	S	Bend	trans	-82.9	-16.8	179.8	-53.7	174.4	0	0	0	111.2	K252 V277 H278	K252-I254 PolarHBondContact O-N 2.85Å; I254-V277 WeakPolarHBondContact O-CA 3.48Å; I254-H278 PolarHBondContact O-N 2.88Å
255	R	95.6	Very high	96.7	Very high	144 Å²	144	46 Å²	46	54%	0.543	22%	0.223	S	C	.	.	S	Bend	trans	-145.3	157.6	-177.5	56	179.1	166	-139.5	-2.3	110.5	D231 L253	D231-R255 IonicContact OD1-NE 2.74Å; D231-R255 IonicContact OD2-CZ 2.73Å; D231-R255 IonicContact OD2-NE 3.57Å; D231-R255 IonicContact OD2-NH2 3.46Å; D231-R255 PolarHBondContact OD2-NH2 2.89Å; L253-R255 VanDerWaalsContact C-N 3.32Å
256	V	97.3	Very high	96.6	Very high	6 Å²	6	47 Å²	47	4%	0.036	23%	0.226	C	C	.	.			trans	-68.7	132.7	172	-177.7	0	0	0	0	109.6	Q258 L261 L272 V277 I280 D284 F285	V256-Q258 PolarHBondContact O-N 3.42Å; V256-L261 HydrophobicContact CG1-CD1 3.61Å; V256-L272 HydrophobicContact CG1-CD1 4.35Å; V256-L272 HydrophobicContact CG2-CD1 4.3Å; V256-V277 HydrophobicContact CG2-CG1 4.34Å; V256-I280 HydrophobicContact CG2-CD1 3.83Å; V256-D284 HydrophobicContact CB-CB 3.9Å; V256-D284 HydrophobicContact CG1-CB 4.05Å; V256-D284 HydrophobicContact CG2-CB 4.05Å; V256-F285 HydrophobicContact CG1-CD1 4.36Å; V256-F285 HydrophobicContact CG1-CE1 3.72Å; V256-F285 HydrophobicContact CG1-CZ 4.07Å; V256-F285 HydrophobicContact CG2-CE1 4.41Å; V256-F285 HydrophobicContact CG2-CZ 3.91Å
257	P	96.4	Very high	96.6	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.052	23%	0.227	C	C	.	.			trans	-79.2	57.6	-179.5	31.8	-34.9	0	0	0	112.6	V232 F248 N259 A260 L261	V232-P257 HydrophobicContact CB-CB 3.79Å; V232-P257 HydrophobicContact CB-CG 4.47Å; V232-P257 HydrophobicContact CG2-CB 4.1Å; V232-P257 HydrophobicContact CG2-CG 4.32Å; F248-P257 HydrophobicContact CE2-CG 4.25Å; F248-P257 HydrophobicContact CZ-CG 4.31Å; P257-N259 VanDerWaalsContact C-N 3.33Å; P257-N259 PolarHBondContact O-N 3.13Å; P257-N259 VanDerWaalsContact O-N 3.17Å; P257-A260 HydrophobicContact CB-CB 4.46Å; P257-A260 PolarHBondContact O-N 3.3Å; P257-L261 HydrophobicContact CG-CD1 4.23Å; P257-L261 HydrophobicContact CG-CG 4.21Å; P257-L261 PolarHBondContact O-N 2.79Å
258	Q	95.1	Very high	96.6	Very high	50 Å²	50	49.2 Å²	49.2	23%	0.234	23%	0.234	C	C	.	.	H	α-helix	trans	-43.7	-51.2	-173.9	-175.7	-165.7	21.1	0	0	113.6	V256 A260 L261 Q262 G283	V256-Q258 PolarHBondContact O-N 3.42Å; Q258-A260 VanDerWaalsContact C-N 3.26Å; Q258-A260 PolarHBondContact O-N 3.13Å; Q258-L261 PolarHBondContact O-N 3.42Å; Q258-Q262 WeakPolarHBondContact O-CG 3.45Å; Q258-Q262 PolarHBondContact O-N 3.25Å; Q258-G283 WeakPolarHBondContact CG-O 3.16Å; Q258-G283 PolarHBondContact NE2-O 3.09Å
259	N	95.4	Very high	96.6	Very high	105 Å²	105	53.1 Å²	53.1	56%	0.561	25%	0.251	S	S	*	.	H	α-helix	trans	-61.1	-33.9	-176.4	-71.1	-34.1	0	0	0	113.3	P257	P257-N259 VanDerWaalsContact C-N 3.33Å; P257-N259 PolarHBondContact O-N 3.13Å; P257-N259 VanDerWaalsContact O-N 3.17Å
260	A	97.1	Very high	96.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-81.4	-41	179.1	0	0	0	0	0	111.1	V232 P233 F237 P257 Q258 Q262 K263	V232-A260 HydrophobicContact CG1-CB 4.07Å; P233-A260 WeakPolarHBondContact O-CB 3.45Å; F237-A260 HydrophobicContact CD2-CB 3.82Å; F237-A260 HydrophobicContact CE2-CB 3.94Å; P257-A260 HydrophobicContact CB-CB 4.46Å; P257-A260 PolarHBondContact O-N 3.3Å; Q258-A260 VanDerWaalsContact C-N 3.26Å; Q258-A260 PolarHBondContact O-N 3.13Å; A260-Q262 VanDerWaalsContact C-N 3.3Å; A260-Q262 PolarHBondContact O-N 3.47Å; A260-K263 WeakPolarHBondContact O-CB 3.43Å; A260-K263 PolarHBondContact O-N 3.5Å
261	L	97.1	Very high	96.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-35.5	176.6	-66.8	174.5	0	0	0	112.3	L246 F248 V256 P257 Q258 K263 L264 L267 L270 M288	L246-L261 HydrophobicContact CD2-CD2 3.97Å; F248-L261 HydrophobicContact CE2-CD2 4.34Å; V256-L261 HydrophobicContact CG1-CD1 3.61Å; P257-L261 HydrophobicContact CG-CD1 4.23Å; P257-L261 HydrophobicContact CG-CG 4.21Å; P257-L261 PolarHBondContact O-N 2.79Å; Q258-L261 PolarHBondContact O-N 3.42Å; L261-K263 PolarHBondContact O-N 3.41Å; L261-K263 VanDerWaalsContact O-N 3.08Å; L261-L264 HydrophobicContact CD2-CD1 4.34Å; L261-L264 WeakPolarHBondContact O-CB 3.28Å; L261-L264 PolarHBondContact O-N 3.4Å; L261-L267 HydrophobicContact CD2-CD2 4.34Å; L261-L270 HydrophobicContact CD1-CD2 3.76Å; L261-L270 HydrophobicContact CD2-CD1 3.98Å; L261-L270 HydrophobicContact CD2-CD2 4.04Å; L261-M288 HydrophobicContact CB-CE 4.39Å
262	Q	94.4	Very high	96.7	Very high	103 Å²	103	48.6 Å²	48.6	48%	0.481	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.4	173.6	-74.6	177.6	6.8	0	0	114.3	Q258 A260	Q258-Q262 WeakPolarHBondContact O-CG 3.45Å; Q258-Q262 PolarHBondContact O-N 3.25Å; A260-Q262 VanDerWaalsContact C-N 3.3Å; A260-Q262 PolarHBondContact O-N 3.47Å
263	K	95.6	Very high	96.8	Very high	87 Å²	87	46.1 Å²	46.1	38%	0.378	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0	172.7	-50.4	-53.8	-179.3	-171.6	0	113.5	G234 V238 A260 L261 P265	G234-K263 WeakPolarHBondContact O-CE 3.49Å; V238-K263 HydrophobicContact CG2-CB 4.26Å; V238-K263 HydrophobicContact CG2-CD 4.28Å; V238-K263 HydrophobicContact CG2-CG 3.99Å; A260-K263 WeakPolarHBondContact O-CB 3.43Å; A260-K263 PolarHBondContact O-N 3.5Å; L261-K263 PolarHBondContact O-N 3.41Å; L261-K263 VanDerWaalsContact O-N 3.08Å; K263-P265 VanDerWaalsContact O-CD 3.24Å; K263-P265 WeakPolarHBondContact O-CD 3.37Å
264	L	97.1	Very high	96.8	Very high	11 Å²	11	50.1 Å²	50.1	6%	0.058	24%	0.241	C	C	.	.			trans	-112.1	84.6	-174	-62.8	172.4	0	0	0	110.8	F237 L240 L243 L246 L261 N266 L267	F237-L264 HydrophobicContact CB-CD1 4.41Å; F237-L264 HydrophobicContact CB-CD2 3.77Å; F237-L264 HydrophobicContact CB-CG 4.16Å; F237-L264 HydrophobicContact CD2-CD1 4.1Å; F237-L264 HydrophobicContact CG-CD1 4.36Å; F237-L264 HydrophobicContact CG-CD2 4.47Å; L240-L264 HydrophobicContact CB-CD2 3.87Å; L243-L264 HydrophobicContact CB-CD2 4.11Å; L243-L264 HydrophobicContact CD2-CD1 4.07Å; L243-L264 HydrophobicContact CD2-CD2 3.75Å; L246-L264 HydrophobicContact CD2-CD1 3.62Å; L261-L264 HydrophobicContact CD2-CD1 4.34Å; L261-L264 WeakPolarHBondContact O-CB 3.28Å; L261-L264 PolarHBondContact O-N 3.4Å; L264-N266 VanDerWaalsContact C-N 3.29Å; L264-N266 PolarHBondContact O-N 3.41Å; L264-L267 HydrophobicContact CB-CB 4.05Å; L264-L267 HydrophobicContact CD1-CD1 4.47Å; L264-L267 HydrophobicContact CD1-CD2 4.15Å
265	P	94.8	Very high	97	Very high	73 Å²	73	44.8 Å²	44.8	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.7	-170.1	28.7	-36.6	0	0	0	114.4	K263 R290	K263-P265 VanDerWaalsContact O-CD 3.24Å; K263-P265 WeakPolarHBondContact O-CD 3.37Å; P265-R290 WeakPolarHBondContact O-CG 3.44Å
266	N	96.6	Very high	97.1	Very high	58 Å²	58	39.7 Å²	39.7	31%	0.31	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	10.8	-174.7	-71	-57.1	0	0	0	114.1	D241 L243 L264 K268	D241-N266 PolarHBondContact O-ND2 2.91Å; L243-N266 CarbonylContact O-C 3.14Å; L264-N266 VanDerWaalsContact C-N 3.29Å; L264-N266 PolarHBondContact O-N 3.41Å; N266-K268 WeakPolarHBondContact O-CG 3.32Å; N266-K268 PolarHBondContact O-N 2.98Å
267	L	98.3	Very high	97.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.198	C	C	.	.			trans	-64.2	124.8	-177.8	-166.1	70.3	0	0	0	111.2	L243 L246 L261 L264 L270 M288 R290 L291	L243-L267 HydrophobicContact CD2-CD1 4.29Å; L243-L267 HydrophobicContact CG-CD1 4.42Å; L243-L267 WeakPolarHBondContact O-CA 3.47Å; L243-L267 PolarHBondContact O-N 3.32Å; L246-L267 HydrophobicContact CB-CD1 3.72Å; L246-L267 HydrophobicContact CB-CD2 4.44Å; L261-L267 HydrophobicContact CD2-CD2 4.34Å; L264-L267 HydrophobicContact CB-CB 4.05Å; L264-L267 HydrophobicContact CD1-CD1 4.47Å; L264-L267 HydrophobicContact CD1-CD2 4.15Å; L267-L270 HydrophobicContact CD2-CB 4.13Å; L267-L270 HydrophobicContact CD2-CD1 4.38Å; L267-M288 HydrophobicContact CD2-CE 3.75Å; L267-R290 CarbonylContact O-C 3.46Å; L267-L291 HydrophobicContact CD2-CD1 4.42Å; L267-L291 HydrophobicContact CG-CD1 4.35Å; L267-L291 VanDerWaalsContact O-CA 3.29Å; L267-L291 WeakPolarHBondContact O-CA 3.04Å; L267-L291 PolarHBondContact O-N 2.02Å; L267-L291 VanDerWaalsContact O-N 3.12Å
268	K	98.4	Very high	96.9	Very high	55 Å²	55	42.7 Å²	42.7	24%	0.239	21%	0.212	C	C	.	.			trans	-108.6	-34.3	-178.7	-59.4	174.2	-161.2	167.5	0	112.3	E244 N266 R290 K292 E293	E244-K268 HydrophobicContact CB-CD 4.2Å; E244-K268 HydrophobicContact CB-CG 4.45Å; E244-K268 HydrophobicContact CG-CD 4.47Å; E244-K268 WeakPolarHBondContact O-CA 3.47Å; E244-K268 WeakPolarHBondContact O-CB 3.21Å; E244-K268 PolarHBondContact O-N 2.85Å; E244-K268 IonicContact OE1-NZ 3.95Å; E244-K268 PolarHBondContact OE1-NZ 2.97Å; E244-K268 WeakPolarHBondContact OE2-CE 3.49Å; E244-K268 IonicContact OE2-NZ 2.77Å; E244-K268 PolarHBondContact OE2-NZ 3.11Å; N266-K268 WeakPolarHBondContact O-CG 3.32Å; N266-K268 PolarHBondContact O-N 2.98Å; K268-R290 WeakPolarHBondContact CA-O 3.44Å; K268-K292 HydrophobicContact CB-CG 4.23Å; K268-K292 WeakPolarHBondContact O-CA 3.15Å; K268-K292 PolarHBondContact O-N 3.37Å; K268-E293 PolarHBondContact O-N 2.84Å; K268-E293 VanDerWaalsContact O-N 3.15Å
269	F	98.7	Very high	96.8	Very high	82 Å²	82	42 Å²	42	36%	0.36	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.6	-177.2	-54.2	-86.5	0	0	0	109.3	E244 L246 E293	E244-F269 PolarHBondContact O-N 3.17Å; L246-F269 PolarHBondContact N-O 2.9Å; F269-E293 HydrophobicContact CD1-CB 3.84Å; F269-E293 HydrophobicContact CE1-CB 4.29Å
270	L	98.6	Very high	96.8	Very high	5 Å²	5	37 Å²	37	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.6	174.2	178	58.7	0	0	0	110	L246 F248 L261 L267 L272 F285 M288 L291 E293 L294 G295	L246-L270 HydrophobicContact CB-CD1 4.43Å; L246-L270 HydrophobicContact CG-CD1 4.45Å; F248-L270 HydrophobicContact CD2-CD1 4.22Å; F248-L270 HydrophobicContact CE2-CD1 4.32Å; L261-L270 HydrophobicContact CD1-CD2 3.76Å; L261-L270 HydrophobicContact CD2-CD1 3.98Å; L261-L270 HydrophobicContact CD2-CD2 4.04Å; L267-L270 HydrophobicContact CD2-CB 4.13Å; L267-L270 HydrophobicContact CD2-CD1 4.38Å; L270-L272 HydrophobicContact CD1-CD2 4.4Å; L270-L272 HydrophobicContact CD1-CG 4.26Å; L270-L272 HydrophobicContact CD2-CD1 4.16Å; L270-L272 HydrophobicContact CD2-CG 4.39Å; L270-L272 HydrophobicContact CG-CD1 4.38Å; L270-L272 HydrophobicContact CG-CG 4.12Å; L270-F285 HydrophobicContact CD2-CD1 4.2Å; L270-F285 HydrophobicContact CD2-CE1 3.79Å; L270-M288 HydrophobicContact CD2-CE 4.17Å; L270-L291 HydrophobicContact CB-CD1 3.73Å; L270-E293 PolarHBondContact N-O 2.8Å; L270-E293 VanDerWaalsContact N-O 3.09Å; L270-L294 HydrophobicContact CB-CD1 4.24Å; L270-L294 HydrophobicContact CD2-CD1 4.08Å; L270-L294 HydrophobicContact CG-CD1 4.14Å; L270-G295 PolarHBondContact O-N 2.65Å
271	D	98.5	Very high	96.7	Very high	37 Å²	37	40.9 Å²	40.9	20%	0.198	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111	176.7	169	21.7	0	0	0	109.9	L246 S247 F248 N273	L246-D271 PolarHBondContact O-N 2.67Å; S247-D271 WeakPolarHBondContact CB-OD2 3.31Å; S247-D271 PolarHBondContact OG-OD2 2.77Å; F248-D271 PolarHBondContact N-O 2.79Å; D271-N273 WeakPolarHBondContact OD1-CB 3.25Å; D271-N273 PolarHBondContact OD1-N 2.85Å; D271-N273 PolarHBondContact OD1-ND2 2.82Å
272	L	98.2	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.			trans	-109.1	10.8	173.5	-67.2	167.9	0	0	0	111.6	F248 L253 V256 L270 N275 F285 L294 G295 I296 M299	F248-L272 HydrophobicContact CB-CD2 4.29Å; F248-L272 HydrophobicContact CD2-CD2 3.75Å; F248-L272 HydrophobicContact CG-CD2 4.39Å; L253-L272 HydrophobicContact CD1-CD2 4.34Å; V256-L272 HydrophobicContact CG1-CD1 4.35Å; V256-L272 HydrophobicContact CG2-CD1 4.3Å; L270-L272 HydrophobicContact CD1-CD2 4.4Å; L270-L272 HydrophobicContact CD1-CG 4.26Å; L270-L272 HydrophobicContact CD2-CD1 4.16Å; L270-L272 HydrophobicContact CD2-CG 4.39Å; L270-L272 HydrophobicContact CG-CD1 4.38Å; L270-L272 HydrophobicContact CG-CG 4.12Å; L272-N275 WeakPolarHBondContact O-CB 3.46Å; L272-N275 PolarHBondContact O-N 3.29Å; L272-N275 PolarHBondContact O-ND2 3.43Å; L272-F285 HydrophobicContact CD1-CE1 3.75Å; L272-F285 HydrophobicContact CD1-CZ 3.67Å; L272-L294 HydrophobicContact CD1-CD1 4.39Å; L272-G295 PolarHBondContact N-O 3.36Å; L272-I296 HydrophobicContact CB-CG2 4.26Å; L272-I296 HydrophobicContact CD1-CG2 4.26Å; L272-M299 HydrophobicContact CB-CE 3.55Å; L272-M299 WeakPolarHBondContact O-CE 3.26Å
273	N	98.4	Very high	96.3	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.134	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	147.6	-172	-63.5	-39.8	0	0	0	111.9	Y249 D250 D271 N275 G295 I296 N297	Y249-N273 WeakPolarHBondContact CA-O 3.39Å; Y249-N273 HydrophobicContact CD2-CB 3.92Å; Y249-N273 HydrophobicContact CE2-CB 4.33Å; D250-N273 PolarHBondContact N-O 3.22Å; D271-N273 WeakPolarHBondContact OD1-CB 3.25Å; D271-N273 PolarHBondContact OD1-N 2.85Å; D271-N273 PolarHBondContact OD1-ND2 2.82Å; N273-N275 VanDerWaalsContact C-N 3.27Å; N273-N275 PolarHBondContact O-N 3.3Å; N273-N275 PolarHBondContact O-ND2 2.8Å; N273-G295 PolarHBondContact OD1-O 2.75Å; N273-I296 PolarHBondContact OD1-N 3.16Å; N273-N297 CarbonylContact C-O 3.59Å; N273-N297 VanDerWaalsContact CA-O 3.24Å; N273-N297 WeakPolarHBondContact CA-O 3.41Å; N273-N297 WeakPolarHBondContact OD1-CA 3.06Å; N273-N297 WeakPolarHBondContact OD1-CB 3.43Å; N273-N297 PolarHBondContact OD1-N 3.34Å; N273-N297 PolarHBondContact OD1-ND2 3.04Å
274	K	97.6	Very high	96.3	Very high	84 Å²	84	37.4 Å²	37.4	37%	0.365	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	29.1	175.7	-160.4	178.2	169.1	-161.1	0	114.3	Y249 D250 N297 N298	Y249-K274 HydrophobicContact CE1-CD 4.25Å; Y249-K274 HydrophobicContact CE2-CB 4.47Å; D250-K274 HydrophobicContact CB-CB 4.43Å; D250-K274 HydrophobicContact CB-CD 3.83Å; D250-K274 HydrophobicContact CB-CG 4.31Å; D250-K274 WeakPolarHBondContact OD1-CD 3.46Å; D250-K274 WeakPolarHBondContact OD1-CE 3.4Å; D250-K274 IonicContact OD1-NZ 3.58Å; D250-K274 PolarHBondContact OD1-NZ 2.99Å; D250-K274 WeakPolarHBondContact OD2-CE 3.26Å; D250-K274 IonicContact OD2-NZ 3.79Å; D250-K274 PolarHBondContact OD2-NZ 2.86Å; K274-N297 PolarHBondContact N-O 2.97Å; K274-N298 HydrophobicContact CB-CB 4.49Å
275	N	98.3	Very high	96.3	Very high	3 Å²	3	37 Å²	37	2%	0.016	18%	0.184	C	C	.	.			trans	-99.4	150.6	169	-79.1	-87.7	0	0	0	112.4	F248 N251 K252 L253 L272 N273 V277 M299	F248-N275 PolarHBondContact O-ND2 3.34Å; N251-N275 WeakPolarHBondContact CA-OD1 3.37Å; N251-N275 WeakPolarHBondContact CB-OD1 3.4Å; N251-N275 PolarHBondContact N-OD1 3.21Å; N251-N275 PolarHBondContact O-OD1 3.34Å; K252-N275 PolarHBondContact N-OD1 3.36Å; L253-N275 HydrophobicContact CB-CB 4.29Å; L253-N275 WeakPolarHBondContact CB-OD1 3.23Å; L253-N275 WeakPolarHBondContact CG-OD1 3.46Å; L253-N275 PolarHBondContact N-OD1 2.91Å; L253-N275 VanDerWaalsContact N-OD1 3.13Å; L272-N275 WeakPolarHBondContact O-CB 3.46Å; L272-N275 PolarHBondContact O-N 3.29Å; L272-N275 PolarHBondContact O-ND2 3.43Å; N273-N275 VanDerWaalsContact C-N 3.27Å; N273-N275 PolarHBondContact O-N 3.3Å; N273-N275 PolarHBondContact O-ND2 2.8Å; N275-V277 HydrophobicContact CB-CG2 4.06Å; N275-V277 PolarHBondContact O-N 2.75Å; N275-M299 HydrophobicContact CB-CE 4.42Å; N275-M299 WeakPolarHBondContact O-CA 3.39Å; N275-M299 WeakPolarHBondContact O-CB 3.08Å; N275-M299 WeakPolarHBondContact O-CG 3.43Å
276	P	97.2	Very high	96.3	Very high	37 Å²	37	36.5 Å²	36.5	24%	0.24	17%	0.174	C	C	.	.			trans	-81.1	41.4	176.3	36.8	-38.1	0	0	0	113	L253 H278 E301	L253-P276 CarbonylContact O-C 3.58Å; L253-P276 VanDerWaalsContact O-C 3.31Å; L253-P276 WeakPolarHBondContact O-CD 3.48Å; P276-H278 PolarHBondContact O-N 3.44Å; P276-E301 HydrophobicContact CB-CB 4.33Å; P276-E301 HydrophobicContact CB-CG 4.07Å
277	V	96.8	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.			trans	-69.5	122	177.1	177.4	0	0	0	0	108.9	L253 I254 V256 N275 K279 I280 M299 E301 L302	L253-V277 VanDerWaalsContact O-CG2 3.25Å; L253-V277 WeakPolarHBondContact O-CG2 3.49Å; L253-V277 PolarHBondContact O-N 3.35Å; I254-V277 WeakPolarHBondContact O-CA 3.48Å; V256-V277 HydrophobicContact CG2-CG1 4.34Å; N275-V277 HydrophobicContact CB-CG2 4.06Å; N275-V277 PolarHBondContact O-N 2.75Å; V277-K279 WeakPolarHBondContact CG1-O 3.47Å; V277-I280 HydrophobicContact CG1-CD1 3.87Å; V277-M299 HydrophobicContact CB-CE 4.33Å; V277-M299 HydrophobicContact CB-SD 4.14Å; V277-M299 HydrophobicContact CG2-CE 4.2Å; V277-E301 CarbonylContact O-C 3.56Å; V277-L302 WeakPolarHBondContact O-CA 3.42Å; V277-L302 WeakPolarHBondContact O-CB 3.4Å; V277-L302 PolarHBondContact O-N 2.85Å
278	H	92.1	Very high	96.2	Very high	76 Å²	76	38.6 Å²	38.6	35%	0.352	19%	0.185	S	C	.	.			trans	-76.4	-39	-172.8	-173.7	42.8	0	0	0	113.8	I254 P276 E301 L302 V303	I254-H278 PolarHBondContact O-N 2.88Å; P276-H278 PolarHBondContact O-N 3.44Å; H278-E301 WeakPolarHBondContact CA-O 3.43Å; H278-E301 PolarHBondContact ND1-O 3.03Å; H278-E301 VanDerWaalsContact ND1-O 3.09Å; H278-L302 WeakPolarHBondContact O-CA 3.24Å; H278-V303 PolarHBondContact O-N 3.19Å
279	K	93.2	Very high	96.1	Very high	35 Å²	35	40.1 Å²	40.1	15%	0.152	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.5	176.6	62.9	-171.3	178.5	-167.1	0	110.3	V277 S304 D448	V277-K279 WeakPolarHBondContact CG1-O 3.47Å; K279-S304 WeakPolarHBondContact CA-O 3.22Å; K279-D448 IonicContact NZ-OD1 2.94Å; K279-D448 PolarHBondContact NZ-OD1 2.87Å; K279-D448 IonicContact NZ-OD2 3.98Å; K279-D448 PolarHBondContact NZ-OD2 3.25Å
280	I	96.5	Very high	96	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.4	165.8	-46.4	-56.2	0	0	0	107.4	V256 V277 D284 F285 I296 L302 S304 V305 D306 A309	V256-I280 HydrophobicContact CG2-CD1 3.83Å; V277-I280 HydrophobicContact CG1-CD1 3.87Å; I280-D284 WeakPolarHBondContact CA-OD2 3.41Å; I280-D284 HydrophobicContact CG2-CB 4.01Å; I280-F285 HydrophobicContact CD1-CE2 4.29Å; I280-F285 HydrophobicContact CD1-CZ 4.47Å; I280-F285 HydrophobicContact CG1-CE2 4.43Å; I280-F285 HydrophobicContact CG2-CD2 3.82Å; I280-F285 HydrophobicContact CG2-CE2 3.39Å; I280-F285 HydrophobicContact CG2-CZ 4.39Å; I280-I296 HydrophobicContact CG1-CD1 4.29Å; I280-L302 HydrophobicContact CD1-CD1 4.31Å; I280-L302 HydrophobicContact CG1-CD1 4.11Å; I280-S304 PolarHBondContact N-O 3.04Å; I280-V305 HydrophobicContact CB-CG1 4.45Å; I280-V305 HydrophobicContact CB-CG2 4.25Å; I280-V305 HydrophobicContact CG1-CG2 4.11Å; I280-D306 PolarHBondContact O-N 3.34Å; I280-A309 HydrophobicContact CB-CB 4.33Å; I280-A309 HydrophobicContact CG2-CB 3.77Å
281	Q	93.9	Very high	96	Very high	82 Å²	82	41.7 Å²	41.7	38%	0.383	20%	0.198	S	C	.	.			trans	-108.1	167.7	-171.8	56.1	172.4	19.1	0	0	112	G283 D284 A309	Q281-G283 PolarHBondContact O-N 2.87Å; Q281-D284 VanDerWaalsContact CG-CG 3.45Å; Q281-D284 WeakPolarHBondContact CG-OD1 3.29Å; Q281-D284 VanDerWaalsContact CG-OD2 3.23Å; Q281-D284 WeakPolarHBondContact CG-OD2 3.42Å; Q281-D284 PolarHBondContact N-OD2 3.09Å; Q281-D284 PolarHBondContact NE2-OD1 3.43Å; Q281-D284 PolarHBondContact O-N 3.15Å; Q281-A309 WeakPolarHBondContact O-CA 3.28Å
282	E	92.8	Very high	96	Very high	111 Å²	111	43.2 Å²	43.2	52%	0.519	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	126.2	176.9	180	168.9	-167.4	0	0	111	R307 F308	E282-R307 WeakPolarHBondContact CB-O 3.42Å; E282-F308 HydrophobicContact CG-CB 4.04Å
283	G	90.9	Very high	96	Very high	4 Å²	4	46 Å²	46	4%	0.041	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-19.3	174.9	0	0	0	0	0	115.6	Q258 Q281 F285 K286	Q258-G283 WeakPolarHBondContact CG-O 3.16Å; Q258-G283 PolarHBondContact NE2-O 3.09Å; Q281-G283 PolarHBondContact O-N 2.87Å; G283-F285 VanDerWaalsContact C-N 3.26Å; G283-F285 PolarHBondContact O-N 3.37Å; G283-F285 VanDerWaalsContact O-N 3.15Å; G283-K286 VanDerWaalsContact O-CB 3.3Å; G283-K286 WeakPolarHBondContact O-CB 3.19Å; G283-K286 PolarHBondContact O-N 2.82Å
284	D	95.6	Very high	96	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-40.9	-172.2	-80.3	-11.9	0	0	0	113.2	V256 I280 Q281	V256-D284 HydrophobicContact CB-CB 3.9Å; V256-D284 HydrophobicContact CG1-CB 4.05Å; V256-D284 HydrophobicContact CG2-CB 4.05Å; I280-D284 WeakPolarHBondContact CA-OD2 3.41Å; I280-D284 HydrophobicContact CG2-CB 4.01Å; Q281-D284 VanDerWaalsContact CG-CG 3.45Å; Q281-D284 WeakPolarHBondContact CG-OD1 3.29Å; Q281-D284 VanDerWaalsContact CG-OD2 3.23Å; Q281-D284 WeakPolarHBondContact CG-OD2 3.42Å; Q281-D284 PolarHBondContact N-OD2 3.09Å; Q281-D284 PolarHBondContact NE2-OD1 3.43Å; Q281-D284 PolarHBondContact O-N 3.15Å
285	F	96.5	Very high	96	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	16.8	178.6	-56.3	-60.5	0	0	0	114	V256 L270 L272 I280 G283 M288 L294 V310 L313	V256-F285 HydrophobicContact CG1-CD1 4.36Å; V256-F285 HydrophobicContact CG1-CE1 3.72Å; V256-F285 HydrophobicContact CG1-CZ 4.07Å; V256-F285 HydrophobicContact CG2-CE1 4.41Å; V256-F285 HydrophobicContact CG2-CZ 3.91Å; L270-F285 HydrophobicContact CD2-CD1 4.2Å; L270-F285 HydrophobicContact CD2-CE1 3.79Å; L272-F285 HydrophobicContact CD1-CE1 3.75Å; L272-F285 HydrophobicContact CD1-CZ 3.67Å; I280-F285 HydrophobicContact CD1-CE2 4.29Å; I280-F285 HydrophobicContact CD1-CZ 4.47Å; I280-F285 HydrophobicContact CG1-CE2 4.43Å; I280-F285 HydrophobicContact CG2-CD2 3.82Å; I280-F285 HydrophobicContact CG2-CE2 3.39Å; I280-F285 HydrophobicContact CG2-CZ 4.39Å; G283-F285 VanDerWaalsContact C-N 3.26Å; G283-F285 PolarHBondContact O-N 3.37Å; G283-F285 VanDerWaalsContact O-N 3.15Å; F285-M288 HydrophobicContact CB-SD 4.06Å; F285-M288 HydrophobicContact CD1-SD 3.9Å; F285-M288 VanDerWaalsContact O-CG 3.31Å; F285-M288 WeakPolarHBondContact O-CG 3.32Å; F285-M288 PolarHBondContact O-N 3.09Å; F285-L294 HydrophobicContact CD1-CD1 4.44Å; F285-L294 HydrophobicContact CD1-CD2 4.18Å; F285-L294 HydrophobicContact CD2-CD2 3.73Å; F285-L294 HydrophobicContact CE1-CD1 3.83Å; F285-L294 HydrophobicContact CE1-CD2 4.1Å; F285-L294 HydrophobicContact CE2-CD1 4.49Å; F285-L294 HydrophobicContact CE2-CD2 3.6Å; F285-L294 HydrophobicContact CG-CD2 4.01Å; F285-L294 HydrophobicContact CZ-CD1 3.86Å; F285-L294 HydrophobicContact CZ-CD2 3.81Å; F285-L294 HydrophobicContact CZ-CG 4.44Å; F285-V310 HydrophobicContact CD2-CG2 4.39Å; F285-L313 HydrophobicContact CB-CD1 4.49Å; F285-L313 HydrophobicContact CB-CD2 4.38Å; F285-L313 VanDerWaalsContact O-CD1 3.23Å; F285-L313 WeakPolarHBondContact O-CD1 3.35Å
286	K	95.2	Very high	96	Very high	64 Å²	64	41.1 Å²	41.1	28%	0.278	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	135.6	-169.2	179.1	171.5	-173	126.8	0	113.5	G283 M288 D311	G283-K286 VanDerWaalsContact O-CB 3.3Å; G283-K286 WeakPolarHBondContact O-CB 3.19Å; G283-K286 PolarHBondContact O-N 2.82Å; K286-M288 PolarHBondContact O-N 3.19Å; K286-D311 WeakPolarHBondContact CA-O 3.34Å; K286-D311 HydrophobicContact CB-CB 4.43Å; K286-D311 WeakPolarHBondContact CD-OD2 3.31Å; K286-D311 WeakPolarHBondContact CE-OD2 3.4Å; K286-D311 HydrophobicContact CG-CB 4.34Å; K286-D311 IonicContact NZ-OD2 3.09Å; K286-D311 PolarHBondContact NZ-OD2 2.91Å
287	N	95.8	Very high	96.1	Very high	89 Å²	89	39.8 Å²	39.8	48%	0.476	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	27	179.1	-58.4	-34.2	0	0	0	114.3	L289 D311 N312	N287-L289 WeakPolarHBondContact O-CG 3.32Å; N287-L289 PolarHBondContact O-N 3.47Å; N287-D311 PolarHBondContact N-O 3.32Å; N287-N312 PolarHBondContact OD1-ND2 3.05Å
288	M	96.4	Very high	96.1	Very high	16 Å²	16	43.2 Å²	43.2	8%	0.079	21%	0.205	C	C	.	.			trans	-78.6	70	174.6	-66.4	-174.9	73.3	0	0	110.6	L261 L267 L270 F285 K286 R290 L291 L313	L261-M288 HydrophobicContact CB-CE 4.39Å; L267-M288 HydrophobicContact CD2-CE 3.75Å; L270-M288 HydrophobicContact CD2-CE 4.17Å; F285-M288 HydrophobicContact CB-SD 4.06Å; F285-M288 HydrophobicContact CD1-SD 3.9Å; F285-M288 VanDerWaalsContact O-CG 3.31Å; F285-M288 WeakPolarHBondContact O-CG 3.32Å; F285-M288 PolarHBondContact O-N 3.09Å; K286-M288 PolarHBondContact O-N 3.19Å; M288-R290 PolarHBondContact O-N 3.39Å; M288-L291 HydrophobicContact CB-CB 3.99Å; M288-L291 HydrophobicContact CB-CD2 4.43Å; M288-L291 HydrophobicContact CE-CD1 4.18Å; M288-L291 HydrophobicContact CE-CD2 4.09Å; M288-L291 WeakPolarHBondContact O-CB 3.32Å; M288-L291 PolarHBondContact O-N 3.22Å; M288-L291 HydrophobicContact SD-CD2 4.25Å; M288-L313 HydrophobicContact CB-CD2 4.4Å; M288-L313 HydrophobicContact CB-CG 4.3Å
289	L	96.4	Very high	96.4	Very high	86 Å²	86	39.6 Å²	39.6	45%	0.45	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25	-162.8	-58.7	-176.9	0	0	0	115.5	N287 P314	N287-L289 WeakPolarHBondContact O-CG 3.32Å; N287-L289 PolarHBondContact O-N 3.47Å; L289-P314 HydrophobicContact CD2-CG 4.22Å
290	R	97.7	Very high	96.5	Very high	120 Å²	120	39.4 Å²	39.4	45%	0.453	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-4.5	-177.8	-63	-56.1	-163.4	171.8	2.6	114.2	P265 L267 K268 M288 K292 E315	P265-R290 WeakPolarHBondContact O-CG 3.44Å; L267-R290 CarbonylContact O-C 3.46Å; K268-R290 WeakPolarHBondContact CA-O 3.44Å; M288-R290 PolarHBondContact O-N 3.39Å; R290-K292 WeakPolarHBondContact O-CG 3.34Å; R290-K292 PolarHBondContact O-N 2.92Å; R290-E315 WeakPolarHBondContact CD-OE1 3.38Å; R290-E315 IonicContact CZ-OE1 3.94Å; R290-E315 IonicContact NE-OE1 2.92Å; R290-E315 IonicContact NH1-OE1 2.96Å; R290-E315 PolarHBondContact NH1-OE1 3.4Å
291	L	98.4	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.			trans	-68.3	127.9	-175.2	-166.7	72.2	0	0	0	109.9	L267 L270 M288 L294 L313 E315 L316	L267-L291 HydrophobicContact CD2-CD1 4.42Å; L267-L291 HydrophobicContact CG-CD1 4.35Å; L267-L291 VanDerWaalsContact O-CA 3.29Å; L267-L291 WeakPolarHBondContact O-CA 3.04Å; L267-L291 PolarHBondContact O-N 2.02Å; L267-L291 VanDerWaalsContact O-N 3.12Å; L270-L291 HydrophobicContact CB-CD1 3.73Å; M288-L291 HydrophobicContact CB-CB 3.99Å; M288-L291 HydrophobicContact CB-CD2 4.43Å; M288-L291 HydrophobicContact CE-CD1 4.18Å; M288-L291 HydrophobicContact CE-CD2 4.09Å; M288-L291 WeakPolarHBondContact O-CB 3.32Å; M288-L291 PolarHBondContact O-N 3.22Å; M288-L291 HydrophobicContact SD-CD2 4.25Å; L291-L294 HydrophobicContact CD2-CB 4.22Å; L291-L313 HydrophobicContact CB-CD2 4.29Å; L291-L313 HydrophobicContact CD2-CD2 3.79Å; L291-E315 CarbonylContact O-C 3.45Å; L291-L316 HydrophobicContact CD2-CD1 4.25Å; L291-L316 HydrophobicContact CG-CD1 4.19Å; L291-L316 WeakPolarHBondContact O-CA 3.29Å; L291-L316 PolarHBondContact O-N 2.79Å
292	K	98.3	Very high	96.5	Very high	69 Å²	69	39.4 Å²	39.4	30%	0.3	20%	0.196	S	C	.	.			trans	-111.4	-34.9	-175.6	-57.2	-162.3	177.2	-151.2	0	113	K268 R290 E315 T317 K318	K268-K292 HydrophobicContact CB-CG 4.23Å; K268-K292 WeakPolarHBondContact O-CA 3.15Å; K268-K292 PolarHBondContact O-N 3.37Å; R290-K292 WeakPolarHBondContact O-CG 3.34Å; R290-K292 PolarHBondContact O-N 2.92Å; K292-E315 WeakPolarHBondContact CA-O 3.16Å; K292-E315 WeakPolarHBondContact CE-OE2 3.4Å; K292-E315 HydrophobicContact CG-CB 4.37Å; K292-E315 IonicContact NZ-OE2 2.68Å; K292-E315 PolarHBondContact NZ-OE2 3.39Å; K292-T317 PolarHBondContact O-N 3Å; K292-T317 PolarHBondContact O-OG1 2.66Å; K292-K318 PolarHBondContact O-N 2.87Å
293	E	98.5	Very high	96.5	Very high	58 Å²	58	34.3 Å²	34.3	27%	0.271	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	131.2	-177.8	-172.7	164.3	-163.2	0	0	110.3	K268 F269 L270 K318	K268-E293 PolarHBondContact O-N 2.84Å; K268-E293 VanDerWaalsContact O-N 3.15Å; F269-E293 HydrophobicContact CD1-CB 3.84Å; F269-E293 HydrophobicContact CE1-CB 4.29Å; L270-E293 PolarHBondContact N-O 2.8Å; L270-E293 VanDerWaalsContact N-O 3.09Å; E293-K318 WeakPolarHBondContact CA-O 3.44Å; E293-K318 HydrophobicContact CG-CB 4.31Å; E293-K318 HydrophobicContact CG-CD 4.4Å; E293-K318 HydrophobicContact CG-CG 4.43Å; E293-K318 WeakPolarHBondContact OE1-CD 3.32Å; E293-K318 IonicContact OE1-NZ 3.86Å; E293-K318 PolarHBondContact OE1-NZ 3.25Å
294	L	98.4	Very high	96.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116	178	174.4	56.6	0	0	0	109.2	L270 L272 F285 L291 I296 L316 K318 L319 E320	L270-L294 HydrophobicContact CB-CD1 4.24Å; L270-L294 HydrophobicContact CD2-CD1 4.08Å; L270-L294 HydrophobicContact CG-CD1 4.14Å; L272-L294 HydrophobicContact CD1-CD1 4.39Å; F285-L294 HydrophobicContact CD1-CD1 4.44Å; F285-L294 HydrophobicContact CD1-CD2 4.18Å; F285-L294 HydrophobicContact CD2-CD2 3.73Å; F285-L294 HydrophobicContact CE1-CD1 3.83Å; F285-L294 HydrophobicContact CE1-CD2 4.1Å; F285-L294 HydrophobicContact CE2-CD1 4.49Å; F285-L294 HydrophobicContact CE2-CD2 3.6Å; F285-L294 HydrophobicContact CG-CD2 4.01Å; F285-L294 HydrophobicContact CZ-CD1 3.86Å; F285-L294 HydrophobicContact CZ-CD2 3.81Å; F285-L294 HydrophobicContact CZ-CG 4.44Å; L291-L294 HydrophobicContact CD2-CB 4.22Å; L294-I296 HydrophobicContact CD1-CG2 4.13Å; L294-I296 HydrophobicContact CG-CG2 4.33Å; L294-L316 HydrophobicContact CB-CD1 4.09Å; L294-K318 PolarHBondContact N-O 3.37Å; L294-L319 HydrophobicContact CB-CD1 3.94Å; L294-L319 HydrophobicContact CD2-CD1 3.84Å; L294-L319 HydrophobicContact CG-CD1 3.79Å; L294-E320 PolarHBondContact O-N 3.05Å
295	G	98.1	Very high	96.7	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.8	175.3	0	0	0	0	0	111.8	L270 L272 N273	L270-G295 PolarHBondContact O-N 2.65Å; L272-G295 PolarHBondContact N-O 3.36Å; N273-G295 PolarHBondContact OD1-O 2.75Å
296	I	97.8	Very high	96.6	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.176	C	C	.	.			trans	-128.8	45.1	173.3	57	169.1	0	0	0	110.5	L272 N273 I280 L294 M299 L302 L319 E320 A321 N324	L272-I296 HydrophobicContact CB-CG2 4.26Å; L272-I296 HydrophobicContact CD1-CG2 4.26Å; N273-I296 PolarHBondContact OD1-N 3.16Å; I280-I296 HydrophobicContact CG1-CD1 4.29Å; L294-I296 HydrophobicContact CD1-CG2 4.13Å; L294-I296 HydrophobicContact CG-CG2 4.33Å; I296-M299 HydrophobicContact CB-CE 3.79Å; I296-M299 HydrophobicContact CB-SD 3.84Å; I296-M299 HydrophobicContact CG2-CE 3.74Å; I296-M299 HydrophobicContact CG2-SD 4.32Å; I296-L302 HydrophobicContact CD1-CD2 4.36Å; I296-L319 HydrophobicContact CD1-CD1 4.34Å; I296-L319 HydrophobicContact CG1-CD1 4.29Å; I296-E320 CarbonylContact C-O 3.38Å; I296-E320 VanDerWaalsContact CG1-O 3.26Å; I296-E320 WeakPolarHBondContact CG1-O 3.14Å; I296-E320 PolarHBondContact N-O 2.89Å; I296-A321 HydrophobicContact CD1-CB 3.75Å; I296-A321 HydrophobicContact CG1-CB 3.57Å; I296-N324 PolarHBondContact O-ND2 3.35Å; I296-N324 PolarHBondContact O-OD1 3.42Å
297	N	98.3	Very high	96.5	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	18%	0.178	C	C	.	.			trans	-90.1	156.8	-178.1	-52.5	-76.2	0	0	0	112.9	N273 K274 M299 E320 T322	N273-N297 CarbonylContact C-O 3.59Å; N273-N297 VanDerWaalsContact CA-O 3.24Å; N273-N297 WeakPolarHBondContact CA-O 3.41Å; N273-N297 WeakPolarHBondContact OD1-CA 3.06Å; N273-N297 WeakPolarHBondContact OD1-CB 3.43Å; N273-N297 PolarHBondContact OD1-N 3.34Å; N273-N297 PolarHBondContact OD1-ND2 3.04Å; K274-N297 PolarHBondContact N-O 2.97Å; N297-M299 PolarHBondContact O-N 3Å; N297-M299 VanDerWaalsContact O-N 3.16Å; N297-E320 WeakPolarHBondContact ND2-CB 3.35Å; N297-E320 PolarHBondContact ND2-OE2 3.05Å; N297-E320 WeakPolarHBondContact OD1-CB 3.48Å; N297-E320 PolarHBondContact OD1-O 3.27Å; N297-T322 CarbonylContact C-O 3.48Å; N297-T322 WeakPolarHBondContact CA-O 3.08Å; N297-T322 WeakPolarHBondContact CB-O 3.35Å; N297-T322 WeakPolarHBondContact OD1-CB 3.33Å; N297-T322 PolarHBondContact OD1-N 3.48Å; N297-T322 PolarHBondContact OD1-OG1 3.47Å
298	N	98.1	Very high	96.4	Very high	71 Å²	71	33.2 Å²	33.2	38%	0.38	16%	0.162	S	C	.	.	S	Bend	trans	56.2	24.3	176.3	-46.4	-76.7	0	0	0	114.5	K274 G300 T322 N323 N324	K274-N298 HydrophobicContact CB-CB 4.49Å; N298-G300 PolarHBondContact O-N 3.17Å; N298-T322 PolarHBondContact N-O 3.1Å; N298-N323 WeakPolarHBondContact CA-O 3.43Å; N298-N323 WeakPolarHBondContact OD1-CB 3.25Å; N298-N323 PolarHBondContact OD1-ND2 2.85Å; N298-N324 PolarHBondContact N-OD1 3.18Å
299	M	97.4	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.			trans	-79.2	96.5	174.9	-65.1	-172.8	163.8	0	0	110.1	L272 N275 V277 I296 N297 E301 L302 N324	L272-M299 HydrophobicContact CB-CE 3.55Å; L272-M299 WeakPolarHBondContact O-CE 3.26Å; N275-M299 HydrophobicContact CB-CE 4.42Å; N275-M299 WeakPolarHBondContact O-CA 3.39Å; N275-M299 WeakPolarHBondContact O-CB 3.08Å; N275-M299 WeakPolarHBondContact O-CG 3.43Å; V277-M299 HydrophobicContact CB-CE 4.33Å; V277-M299 HydrophobicContact CB-SD 4.14Å; V277-M299 HydrophobicContact CG2-CE 4.2Å; I296-M299 HydrophobicContact CB-CE 3.79Å; I296-M299 HydrophobicContact CB-SD 3.84Å; I296-M299 HydrophobicContact CG2-CE 3.74Å; I296-M299 HydrophobicContact CG2-SD 4.32Å; N297-M299 PolarHBondContact O-N 3Å; N297-M299 VanDerWaalsContact O-N 3.16Å; M299-E301 PolarHBondContact O-N 3.05Å; M299-E301 VanDerWaalsContact O-N 3.14Å; M299-L302 HydrophobicContact CB-CB 3.63Å; M299-L302 HydrophobicContact CB-CD2 4.39Å; M299-L302 PolarHBondContact O-N 3.29Å; M299-L302 HydrophobicContact SD-CB 4.29Å; M299-L302 HydrophobicContact SD-CD2 3.99Å; M299-N324 PolarHBondContact N-OD1 3.27Å
300	G	95.1	Very high	96.4	Very high	32 Å²	32	28.5 Å²	28.5	33%	0.33	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.1	-176.2	0	0	0	0	0	115.8	N298 K326	N298-G300 PolarHBondContact O-N 3.17Å; G300-K326 WeakPolarHBondContact O-CD 3.27Å; G300-K326 WeakPolarHBondContact O-CE 3.31Å; G300-K326 WeakPolarHBondContact O-CG 3.43Å
301	E	94.7	Very high	96.3	Very high	82 Å²	82	23 Å²	23	38%	0.383	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-3.5	-176.9	-65.1	-57.5	135.7	0	0	114.2	P276 V277 H278 M299 V303 K326	P276-E301 HydrophobicContact CB-CB 4.33Å; P276-E301 HydrophobicContact CB-CG 4.07Å; V277-E301 CarbonylContact O-C 3.56Å; H278-E301 WeakPolarHBondContact CA-O 3.43Å; H278-E301 PolarHBondContact ND1-O 3.03Å; H278-E301 VanDerWaalsContact ND1-O 3.09Å; M299-E301 PolarHBondContact O-N 3.05Å; M299-E301 VanDerWaalsContact O-N 3.14Å; E301-V303 PolarHBondContact O-N 2.98Å; E301-K326 IonicContact OE1-NZ 2.74Å; E301-K326 PolarHBondContact OE1-NZ 3.29Å; E301-K326 IonicContact OE2-NZ 3.57Å; E301-K326 PolarHBondContact OE2-NZ 2.91Å
302	L	96	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.			trans	-70.3	121.7	-179.1	178.6	66.4	0	0	0	110.4	V277 H278 I280 I296 M299 N324 K326 F327	V277-L302 WeakPolarHBondContact O-CA 3.42Å; V277-L302 WeakPolarHBondContact O-CB 3.4Å; V277-L302 PolarHBondContact O-N 2.85Å; H278-L302 WeakPolarHBondContact O-CA 3.24Å; I280-L302 HydrophobicContact CD1-CD1 4.31Å; I280-L302 HydrophobicContact CG1-CD1 4.11Å; I296-L302 HydrophobicContact CD1-CD2 4.36Å; M299-L302 HydrophobicContact CB-CB 3.63Å; M299-L302 HydrophobicContact CB-CD2 4.39Å; M299-L302 PolarHBondContact O-N 3.29Å; M299-L302 HydrophobicContact SD-CB 4.29Å; M299-L302 HydrophobicContact SD-CD2 3.99Å; L302-N324 HydrophobicContact CD2-CB 4.46Å; L302-K326 CarbonylContact O-C 3.58Å; L302-F327 HydrophobicContact CD2-CB 4.44Å; L302-F327 HydrophobicContact CD2-CD1 4.39Å; L302-F327 HydrophobicContact CD2-CD2 4.34Å; L302-F327 HydrophobicContact CD2-CG 4.16Å; L302-F327 HydrophobicContact CG-CB 4.34Å; L302-F327 HydrophobicContact CG-CD2 4.26Å; L302-F327 HydrophobicContact CG-CG 4.32Å; L302-F327 WeakPolarHBondContact O-CA 3.23Å; L302-F327 WeakPolarHBondContact O-CB 3.07Å; L302-F327 PolarHBondContact O-N 2.79Å
303	V	93.8	Very high	96.3	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.03	12%	0.116	C	C	.	.			trans	-110	-44.8	-178.6	171.9	0	0	0	0	112.6	H278 E301 K326 S328 Y329 D431	H278-V303 PolarHBondContact O-N 3.19Å; E301-V303 PolarHBondContact O-N 2.98Å; V303-K326 WeakPolarHBondContact CA-O 3.38Å; V303-K326 HydrophobicContact CG2-CB 4Å; V303-S328 PolarHBondContact O-N 3.1Å; V303-Y329 PolarHBondContact O-N 3.37Å; V303-D431 WeakPolarHBondContact CG1-O 3.4Å
304	S	94.3	Very high	96.2	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.8	-176.8	67.7	0	0	0	0	115.2	K279 I280 D306 Y329	K279-S304 WeakPolarHBondContact CA-O 3.22Å; I280-S304 PolarHBondContact N-O 3.04Å; S304-D306 WeakPolarHBondContact CB-OD1 3.3Å; S304-D306 PolarHBondContact OG-OD1 2.93Å; S304-Y329 VanDerWaalsContact CA-O 3.32Å; S304-Y329 WeakPolarHBondContact CA-O 3.39Å
305	V	95.9	Very high	96.2	Very high	11 Å²	11	24.4 Å²	24.4	7%	0.067	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.8	158	177.9	0	0	0	0	107	I280 A309 F327 Y329 N331 A334	I280-V305 HydrophobicContact CB-CG1 4.45Å; I280-V305 HydrophobicContact CB-CG2 4.25Å; I280-V305 HydrophobicContact CG1-CG2 4.11Å; V305-A309 HydrophobicContact CG1-CB 3.65Å; V305-F327 HydrophobicContact CB-CE2 4.35Å; V305-F327 HydrophobicContact CG2-CE2 3.72Å; V305-F327 HydrophobicContact CG2-CZ 3.74Å; V305-Y329 PolarHBondContact N-O 3.15Å; V305-Y329 VanDerWaalsContact N-O 3.11Å; V305-N331 PolarHBondContact O-N 3.22Å; V305-A334 HydrophobicContact CG1-CB 3.92Å
306	D	93.5	Very high	96.2	Very high	13 Å²	13	24.1 Å²	24.1	7%	0.07	13%	0.128	C	C	.	.			trans	-82.2	177.8	-174.3	-66.9	-14.3	0	0	0	111.8	I280 S304 A309 A334 R450	I280-D306 PolarHBondContact O-N 3.34Å; S304-D306 WeakPolarHBondContact CB-OD1 3.3Å; S304-D306 PolarHBondContact OG-OD1 2.93Å; D306-A309 VanDerWaalsContact O-CB 3.28Å; D306-A309 WeakPolarHBondContact O-CB 3.24Å; D306-A309 PolarHBondContact O-N 2.91Å; D306-A334 WeakPolarHBondContact O-CA 3.45Å; D306-R450 IonicContact OD1-CZ 3.38Å; D306-R450 IonicContact OD1-NE 3.35Å; D306-R450 PolarHBondContact OD1-NE 3.14Å; D306-R450 IonicContact OD1-NH2 2.88Å; D306-R450 PolarHBondContact OD1-NH2 3.08Å; D306-R450 IonicContact OD2-CZ 2.68Å; D306-R450 IonicContact OD2-NH2 2.78Å; D306-R450 PolarHBondContact OD2-NH2 3.22Å
307	R	93.4	Very high	96.3	Very high	85 Å²	85	26.6 Å²	26.6	32%	0.321	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	136.7	179.2	-175.7	175.3	-172.8	-163.9	3.7	112.2	E282 A309 N331 Q333 E483	E282-R307 WeakPolarHBondContact CB-O 3.42Å; R307-A309 PolarHBondContact O-N 3.21Å; R307-N331 HydrophobicContact CB-CB 4.46Å; R307-Q333 HydrophobicContact CG-CB 4.08Å; R307-Q333 VanDerWaalsContact CZ-OE1 3.28Å; R307-E483 WeakPolarHBondContact CD-OE1 3.45Å; R307-E483 IonicContact NH1-OE1 2.64Å
308	F	94.6	Very high	96.3	Very high	28 Å²	28	28.8 Å²	28.8	12%	0.123	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	28.1	179.6	-49	-41	0	0	0	114.7	E282 V310 Q333 R336	E282-F308 HydrophobicContact CG-CB 4.04Å; F308-V310 VanDerWaalsContact C-N 3.29Å; F308-V310 PolarHBondContact O-N 2.96Å; F308-Q333 HydrophobicContact CD1-CB 4.43Å; F308-Q333 WeakPolarHBondContact CD1-O 3.26Å; F308-Q333 HydrophobicContact CE1-CB 3.95Å; F308-Q333 PolarHBondContact N-O 2.9Å; F308-R336 HydrophobicContact CD1-CB 3.9Å; F308-R336 HydrophobicContact CE1-CB 4.32Å; F308-R336 VanDerWaalsContact CZ-NH1 3.28Å
309	A	95.8	Very high	96.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-62.6	-36.7	173	0	0	0	0	0	112.3	I280 Q281 V305 D306 R307 A334	I280-A309 HydrophobicContact CB-CB 4.33Å; I280-A309 HydrophobicContact CG2-CB 3.77Å; Q281-A309 WeakPolarHBondContact O-CA 3.28Å; V305-A309 HydrophobicContact CG1-CB 3.65Å; D306-A309 VanDerWaalsContact O-CB 3.28Å; D306-A309 WeakPolarHBondContact O-CB 3.24Å; D306-A309 PolarHBondContact O-N 2.91Å; R307-A309 PolarHBondContact O-N 3.21Å; A309-A334 PolarHBondContact N-O 3.27Å
310	V	96.3	Very high	96.3	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	94.6	177.6	-171.4	0	0	0	0	108.1	F285 F308 L313 L316 A334 F335 R336 V338	F285-V310 HydrophobicContact CD2-CG2 4.39Å; F308-V310 VanDerWaalsContact C-N 3.29Å; F308-V310 PolarHBondContact O-N 2.96Å; V310-L313 HydrophobicContact CG1-CD1 3.85Å; V310-L313 HydrophobicContact CG1-CD2 4Å; V310-L313 HydrophobicContact CG1-CG 4.42Å; V310-L316 HydrophobicContact CG1-CD2 4.05Å; V310-A334 PolarHBondContact N-O 3.4Å; V310-A334 VanDerWaalsContact N-O 3.1Å; V310-F335 HydrophobicContact CB-CD1 3.78Å; V310-F335 HydrophobicContact CB-CE1 4.18Å; V310-F335 HydrophobicContact CG1-CD1 4.1Å; V310-F335 HydrophobicContact CG1-CE1 4.5Å; V310-F335 HydrophobicContact CG2-CD1 4.13Å; V310-F335 HydrophobicContact CG2-CE1 4Å; V310-F335 WeakPolarHBondContact O-CA 3.37Å; V310-R336 PolarHBondContact O-N 3.19Å; V310-V338 HydrophobicContact CG1-CG2 3.86Å
311	D	96.5	Very high	96.4	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.027	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116.1	-165.7	179.1	38.2	0	0	0	112.6	K286 N287 L313 R336	K286-D311 WeakPolarHBondContact CA-O 3.34Å; K286-D311 HydrophobicContact CB-CB 4.43Å; K286-D311 WeakPolarHBondContact CD-OD2 3.31Å; K286-D311 WeakPolarHBondContact CE-OD2 3.4Å; K286-D311 HydrophobicContact CG-CB 4.34Å; K286-D311 IonicContact NZ-OD2 3.09Å; K286-D311 PolarHBondContact NZ-OD2 2.91Å; N287-D311 PolarHBondContact N-O 3.32Å; D311-L313 WeakPolarHBondContact O-CD1 3.32Å; D311-R336 WeakPolarHBondContact CA-O 3.38Å; D311-R336 IonicContact OD1-CZ 2.67Å; D311-R336 VanDerWaalsContact OD1-CZ 3.22Å; D311-R336 IonicContact OD1-NE 3.35Å; D311-R336 PolarHBondContact OD1-NE 3.1Å; D311-R336 IonicContact OD1-NH2 3.76Å; D311-R336 PolarHBondContact OD1-NH2 3.36Å; D311-R336 IonicContact OD2-CZ 3.69Å; D311-R336 IonicContact OD2-NH2 3.61Å; D311-R336 PolarHBondContact OD2-NH2 3.49Å
312	N	97.1	Very high	96.6	Very high	52 Å²	52	23.8 Å²	23.8	28%	0.278	12%	0.12	S	C	.	.	S	Bend	trans	61.6	64.8	-179.1	-173.4	28.7	0	0	0	113.1	N287 P314 R336 D337	N287-N312 PolarHBondContact OD1-ND2 3.05Å; N312-P314 WeakPolarHBondContact O-CD 3.47Å; N312-R336 PolarHBondContact N-O 3.42Å; N312-D337 HydrophobicContact CB-CB 4.43Å
313	L	97.8	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.			trans	-120.3	78.4	173.6	-70.7	77.6	0	0	0	110	F285 M288 L291 V310 D311 E315 L316 D337 V338	F285-L313 HydrophobicContact CB-CD1 4.49Å; F285-L313 HydrophobicContact CB-CD2 4.38Å; F285-L313 VanDerWaalsContact O-CD1 3.23Å; F285-L313 WeakPolarHBondContact O-CD1 3.35Å; M288-L313 HydrophobicContact CB-CD2 4.4Å; M288-L313 HydrophobicContact CB-CG 4.3Å; L291-L313 HydrophobicContact CB-CD2 4.29Å; L291-L313 HydrophobicContact CD2-CD2 3.79Å; V310-L313 HydrophobicContact CG1-CD1 3.85Å; V310-L313 HydrophobicContact CG1-CD2 4Å; V310-L313 HydrophobicContact CG1-CG 4.42Å; D311-L313 WeakPolarHBondContact O-CD1 3.32Å; L313-E315 VanDerWaalsContact C-N 3.3Å; L313-E315 PolarHBondContact O-N 2.92Å; L313-L316 HydrophobicContact CB-CB 3.86Å; L313-L316 HydrophobicContact CD2-CB 4.27Å; L313-L316 HydrophobicContact CD2-CD1 4.33Å; L313-L316 HydrophobicContact CD2-CD2 4.08Å; L313-L316 HydrophobicContact CD2-CG 4.47Å; L313-L316 PolarHBondContact O-N 3.38Å; L313-D337 PolarHBondContact N-O 2.65Å; L313-D337 VanDerWaalsContact N-O 3.11Å; L313-V338 HydrophobicContact CB-CG1 4.47Å
314	P	97.6	Very high	96.8	Very high	53 Å²	53	26.4 Å²	26.4	34%	0.344	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.5	-174.4	26.9	-36.7	0	0	0	115.5	L289 N312 A340	L289-P314 HydrophobicContact CD2-CG 4.22Å; N312-P314 WeakPolarHBondContact O-CD 3.47Å; P314-A340 WeakPolarHBondContact O-CB 3.48Å
315	E	98.2	Very high	96.9	Very high	51 Å²	51	30.4 Å²	30.4	24%	0.238	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	0.1	177.7	-72.4	-166.9	-129.9	0	0	114.2	R290 L291 K292 L313 T317	R290-E315 WeakPolarHBondContact CD-OE1 3.38Å; R290-E315 IonicContact CZ-OE1 3.94Å; R290-E315 IonicContact NE-OE1 2.92Å; R290-E315 IonicContact NH1-OE1 2.96Å; R290-E315 PolarHBondContact NH1-OE1 3.4Å; L291-E315 CarbonylContact O-C 3.45Å; K292-E315 WeakPolarHBondContact CA-O 3.16Å; K292-E315 WeakPolarHBondContact CE-OE2 3.4Å; K292-E315 HydrophobicContact CG-CB 4.37Å; K292-E315 IonicContact NZ-OE2 2.68Å; K292-E315 PolarHBondContact NZ-OE2 3.39Å; L313-E315 VanDerWaalsContact C-N 3.3Å; L313-E315 PolarHBondContact O-N 2.92Å; E315-T317 PolarHBondContact O-N 3.08Å; E315-T317 VanDerWaalsContact O-N 3.09Å
316	L	98.5	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.			trans	-71	109.4	-175.4	-173.7	78.6	0	0	0	110.3	L291 L294 V310 L313 V338 A340 L341	L291-L316 HydrophobicContact CD2-CD1 4.25Å; L291-L316 HydrophobicContact CG-CD1 4.19Å; L291-L316 WeakPolarHBondContact O-CA 3.29Å; L291-L316 PolarHBondContact O-N 2.79Å; L294-L316 HydrophobicContact CB-CD1 4.09Å; V310-L316 HydrophobicContact CG1-CD2 4.05Å; L313-L316 HydrophobicContact CB-CB 3.86Å; L313-L316 HydrophobicContact CD2-CB 4.27Å; L313-L316 HydrophobicContact CD2-CD1 4.33Å; L313-L316 HydrophobicContact CD2-CD2 4.08Å; L313-L316 HydrophobicContact CD2-CG 4.47Å; L313-L316 PolarHBondContact O-N 3.38Å; L316-V338 HydrophobicContact CB-CG1 4.04Å; L316-V338 HydrophobicContact CD2-CG1 3.9Å; L316-A340 CarbonylContact O-C 3.28Å; L316-L341 HydrophobicContact CD2-CD1 3.95Å; L316-L341 HydrophobicContact CG-CD1 3.98Å; L316-L341 WeakPolarHBondContact O-CA 3.33Å; L316-L341 PolarHBondContact O-N 2.92Å
317	T	98.3	Very high	97	Very high	56 Å²	56	32.4 Å²	32.4	34%	0.344	17%	0.167	S	C	.	.			trans	-96.1	-28.2	-179	48.8	0	0	0	0	113.9	K292 E315 E342 S343	K292-T317 PolarHBondContact O-N 3Å; K292-T317 PolarHBondContact O-OG1 2.66Å; E315-T317 PolarHBondContact O-N 3.08Å; E315-T317 VanDerWaalsContact O-N 3.09Å; T317-E342 PolarHBondContact O-N 2.94Å; T317-S343 PolarHBondContact O-N 3.37Å; T317-S343 VanDerWaalsContact O-N 3.13Å
318	K	98.4	Very high	97	Very high	56 Å²	56	28.4 Å²	28.4	24%	0.243	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.7	-172.6	-174.9	172.6	173.7	-128.2	0	111.6	K292 E293 L294 E320 S343	K292-K318 PolarHBondContact O-N 2.87Å; E293-K318 WeakPolarHBondContact CA-O 3.44Å; E293-K318 HydrophobicContact CG-CB 4.31Å; E293-K318 HydrophobicContact CG-CD 4.4Å; E293-K318 HydrophobicContact CG-CG 4.43Å; E293-K318 WeakPolarHBondContact OE1-CD 3.32Å; E293-K318 IonicContact OE1-NZ 3.86Å; E293-K318 PolarHBondContact OE1-NZ 3.25Å; L294-K318 PolarHBondContact N-O 3.37Å; K318-E320 VanDerWaalsContact CE-CD 3.46Å; K318-E320 WeakPolarHBondContact CE-OE1 3.36Å; K318-E320 HydrophobicContact CG-CG 4.22Å; K318-E320 IonicContact NZ-OE1 2.69Å; K318-E320 PolarHBondContact NZ-OE1 3.04Å; K318-E320 IonicContact NZ-OE2 3.84Å; K318-S343 WeakPolarHBondContact CA-O 3.22Å
319	L	98.2	Very high	97	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.3	172.4	174.3	59	0	0	0	109.4	L294 I296 F335 L341 S343 L344 M345	L294-L319 HydrophobicContact CB-CD1 3.94Å; L294-L319 HydrophobicContact CD2-CD1 3.84Å; L294-L319 HydrophobicContact CG-CD1 3.79Å; I296-L319 HydrophobicContact CD1-CD1 4.34Å; I296-L319 HydrophobicContact CG1-CD1 4.29Å; L319-F335 HydrophobicContact CD2-CE1 3.51Å; L319-F335 HydrophobicContact CD2-CZ 3.79Å; L319-L341 HydrophobicContact CB-CD1 4.04Å; L319-S343 PolarHBondContact N-O 2.79Å; L319-L344 HydrophobicContact CB-CD1 4.15Å; L319-L344 HydrophobicContact CD2-CD1 3.87Å; L319-L344 HydrophobicContact CG-CD1 4.1Å; L319-M345 PolarHBondContact O-N 3.35Å
320	E	97.9	Very high	97	Very high	49 Å²	49	27.9 Å²	27.9	23%	0.229	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117	177.9	-60.3	-171.5	140.1	0	0	111.5	L294 I296 N297 K318 M345	L294-E320 PolarHBondContact O-N 3.05Å; I296-E320 CarbonylContact C-O 3.38Å; I296-E320 VanDerWaalsContact CG1-O 3.26Å; I296-E320 WeakPolarHBondContact CG1-O 3.14Å; I296-E320 PolarHBondContact N-O 2.89Å; N297-E320 WeakPolarHBondContact ND2-CB 3.35Å; N297-E320 PolarHBondContact ND2-OE2 3.05Å; N297-E320 WeakPolarHBondContact OD1-CB 3.48Å; N297-E320 PolarHBondContact OD1-O 3.27Å; K318-E320 VanDerWaalsContact CE-CD 3.46Å; K318-E320 WeakPolarHBondContact CE-OE1 3.36Å; K318-E320 HydrophobicContact CG-CG 4.22Å; K318-E320 IonicContact NZ-OE1 2.69Å; K318-E320 PolarHBondContact NZ-OE1 3.04Å; K318-E320 IonicContact NZ-OE2 3.84Å; E320-M345 HydrophobicContact CB-CB 4.5Å; E320-M345 HydrophobicContact CG-CB 4.31Å; E320-M345 HydrophobicContact CG-CG 4.34Å
321	A	97.7	Very high	96.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	15%	0.15	C	C	.	.			trans	-132.8	65.6	174.8	0	0	0	0	0	109	I296 N324 F327 M345 L346 N349	I296-A321 HydrophobicContact CD1-CB 3.75Å; I296-A321 HydrophobicContact CG1-CB 3.57Å; A321-N324 VanDerWaalsContact C-ND2 3.33Å; A321-F327 HydrophobicContact CB-CD1 4.33Å; A321-F327 HydrophobicContact CB-CE1 3.73Å; A321-M345 CarbonylContact C-O 3.53Å; A321-M345 PolarHBondContact N-O 2.95Å; A321-L346 HydrophobicContact CB-CD2 4.1Å; A321-N349 PolarHBondContact O-ND2 2.84Å; A321-N349 PolarHBondContact O-OD1 2.85Å
322	T	97.9	Very high	96.7	Very high	20 Å²	20	31.6 Å²	31.6	12%	0.123	16%	0.163	C	C	.	.			trans	-106.6	156.5	-176.2	70.8	0	0	0	0	112.4	N297 N298 N324 M345 N347	N297-T322 CarbonylContact C-O 3.48Å; N297-T322 WeakPolarHBondContact CA-O 3.08Å; N297-T322 WeakPolarHBondContact CB-O 3.35Å; N297-T322 WeakPolarHBondContact OD1-CB 3.33Å; N297-T322 PolarHBondContact OD1-N 3.48Å; N297-T322 PolarHBondContact OD1-OG1 3.47Å; N298-T322 PolarHBondContact N-O 3.1Å; T322-N324 VanDerWaalsContact C-N 3.29Å; T322-N324 PolarHBondContact O-N 2.79Å; T322-N324 PolarHBondContact O-OD1 3.33Å; T322-M345 HydrophobicContact CG2-CB 3.71Å; T322-N347 VanDerWaalsContact CA-O 3.31Å; T322-N347 WeakPolarHBondContact CA-O 3.09Å; T322-N347 WeakPolarHBondContact CB-O 3.35Å; T322-N347 WeakPolarHBondContact CG2-OD1 2.91Å
323	N	97.9	Very high	96.6	Very high	60 Å²	60	32.6 Å²	32.6	32%	0.321	17%	0.167	S	C	.	.	S	Bend	trans	59.8	32.7	177.5	-53.5	-24	0	0	0	114.2	N298 P325 N347 N348 N349	N298-N323 WeakPolarHBondContact CA-O 3.43Å; N298-N323 WeakPolarHBondContact OD1-CB 3.25Å; N298-N323 PolarHBondContact OD1-ND2 2.85Å; N323-P325 VanDerWaalsContact O-CD 3.24Å; N323-P325 WeakPolarHBondContact O-CD 3.32Å; N323-N347 PolarHBondContact N-O 3.14Å; N323-N348 CarbonylContact C-O 3.18Å; N323-N348 WeakPolarHBondContact CA-O 3.44Å; N323-N348 PolarHBondContact N-O 2.75Å; N323-N348 WeakPolarHBondContact OD1-CB 3.42Å; N323-N348 PolarHBondContact OD1-ND2 2.69Å; N323-N349 PolarHBondContact N-OD1 2.96Å
324	N	97.8	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.			trans	-101	93.6	179.5	-59.1	-36.6	0	0	0	109.1	I296 N298 M299 L302 A321 T322 K326 F327 N348 N349	I296-N324 PolarHBondContact O-ND2 3.35Å; I296-N324 PolarHBondContact O-OD1 3.42Å; N298-N324 PolarHBondContact N-OD1 3.18Å; M299-N324 PolarHBondContact N-OD1 3.27Å; L302-N324 HydrophobicContact CD2-CB 4.46Å; A321-N324 VanDerWaalsContact C-ND2 3.33Å; T322-N324 VanDerWaalsContact C-N 3.29Å; T322-N324 PolarHBondContact O-N 2.79Å; T322-N324 PolarHBondContact O-OD1 3.33Å; N324-K326 PolarHBondContact O-N 2.82Å; N324-K326 VanDerWaalsContact O-N 3.08Å; N324-F327 HydrophobicContact CB-CB 3.47Å; N324-F327 VanDerWaalsContact CB-CB 3.47Å; N324-F327 HydrophobicContact CB-CD1 4.2Å; N324-F327 HydrophobicContact CB-CG 4.27Å; N324-F327 WeakPolarHBondContact O-CB 3.47Å; N324-F327 PolarHBondContact O-N 3.07Å; N324-N348 PolarHBondContact N-O 2.78Å; N324-N349 WeakPolarHBondContact CA-OD1 3.14Å; N324-N349 VanDerWaalsContact CB-OD1 3.28Å; N324-N349 WeakPolarHBondContact CB-OD1 3.48Å; N324-N349 PolarHBondContact N-OD1 2.88Å; N324-N349 WeakPolarHBondContact O-CA 3.45Å; N324-N349 PolarHBondContact O-OD1 3.33Å
325	P	95.3	Very high	96.5	Very high	85 Å²	85	30.8 Å²	30.8	55%	0.552	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.2	-163.6	27.8	-37.8	0	0	0	115.2	N323	N323-P325 VanDerWaalsContact O-CD 3.24Å; N323-P325 WeakPolarHBondContact O-CD 3.32Å
326	K	94.8	Very high	96.3	Very high	65 Å²	65	31.9 Å²	31.9	28%	0.283	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-2.8	174.5	-55.8	-174.5	-164.2	176.2	0	113.2	G300 E301 L302 V303 N324 S328 D431	G300-K326 WeakPolarHBondContact O-CD 3.27Å; G300-K326 WeakPolarHBondContact O-CE 3.31Å; G300-K326 WeakPolarHBondContact O-CG 3.43Å; E301-K326 IonicContact OE1-NZ 2.74Å; E301-K326 PolarHBondContact OE1-NZ 3.29Å; E301-K326 IonicContact OE2-NZ 3.57Å; E301-K326 PolarHBondContact OE2-NZ 2.91Å; L302-K326 CarbonylContact O-C 3.58Å; V303-K326 WeakPolarHBondContact CA-O 3.38Å; V303-K326 HydrophobicContact CG2-CB 4Å; N324-K326 PolarHBondContact O-N 2.82Å; N324-K326 VanDerWaalsContact O-N 3.08Å; K326-S328 WeakPolarHBondContact O-CB 3.47Å; K326-S328 PolarHBondContact O-N 3.49Å; K326-D431 HydrophobicContact CB-CB 4.28Å
327	F	96.2	Very high	96.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.009	18%	0.182	C	C	.	.			trans	-76.1	101.3	-171.5	175.7	-145.8	0	0	0	109.4	L302 V305 A321 N324 Y329 V330 L346 N349 A350 L351	L302-F327 HydrophobicContact CD2-CB 4.44Å; L302-F327 HydrophobicContact CD2-CD1 4.39Å; L302-F327 HydrophobicContact CD2-CD2 4.34Å; L302-F327 HydrophobicContact CD2-CG 4.16Å; L302-F327 HydrophobicContact CG-CB 4.34Å; L302-F327 HydrophobicContact CG-CD2 4.26Å; L302-F327 HydrophobicContact CG-CG 4.32Å; L302-F327 WeakPolarHBondContact O-CA 3.23Å; L302-F327 WeakPolarHBondContact O-CB 3.07Å; L302-F327 PolarHBondContact O-N 2.79Å; V305-F327 HydrophobicContact CB-CE2 4.35Å; V305-F327 HydrophobicContact CG2-CE2 3.72Å; V305-F327 HydrophobicContact CG2-CZ 3.74Å; A321-F327 HydrophobicContact CB-CD1 4.33Å; A321-F327 HydrophobicContact CB-CE1 3.73Å; N324-F327 HydrophobicContact CB-CB 3.47Å; N324-F327 VanDerWaalsContact CB-CB 3.47Å; N324-F327 HydrophobicContact CB-CD1 4.2Å; N324-F327 HydrophobicContact CB-CG 4.27Å; N324-F327 WeakPolarHBondContact O-CB 3.47Å; N324-F327 PolarHBondContact O-N 3.07Å; F327-Y329 WeakPolarHBondContact CE2-O 3.42Å; F327-V330 HydrophobicContact CE2-CG2 3.78Å; F327-V330 HydrophobicContact CZ-CG2 3.5Å; F327-V330 VanDerWaalsContact CZ-CG2 3.5Å; F327-L346 HydrophobicContact CE1-CD2 3.9Å; F327-L346 HydrophobicContact CZ-CD2 4.35Å; F327-N349 HydrophobicContact CB-CB 4.24Å; F327-N349 HydrophobicContact CD1-CB 4.16Å; F327-A350 CarbonylContact O-C 3.46Å; F327-A350 VanDerWaalsContact O-C 3.28Å; F327-A350 WeakPolarHBondContact O-CA 3.4Å; F327-A350 PolarHBondContact O-N 3.48Å; F327-L351 HydrophobicContact CD2-CD2 4.36Å; F327-L351 HydrophobicContact CE2-CD2 4.29Å; F327-L351 HydrophobicContact CG-CD2 4.49Å; F327-L351 HydrophobicContact CZ-CD2 4.39Å; F327-L351 PolarHBondContact O-N 3.39Å
328	S	94	Very high	96.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	17%	0.166	C	C	.	.			trans	-127.7	-0.3	-159	76.9	0	0	0	0	113.8	V303 K326 A350 S429	V303-S328 PolarHBondContact O-N 3.1Å; K326-S328 WeakPolarHBondContact O-CB 3.47Å; K326-S328 PolarHBondContact O-N 3.49Å; S328-A350 WeakPolarHBondContact CA-O 2.94Å; S328-A350 WeakPolarHBondContact CB-O 3.34Å; S328-S429 WeakPolarHBondContact CB-OG 3.32Å; S328-S429 PolarHBondContact O-OG 3.02Å; S328-S429 PolarHBondContact OG-OG 3.36Å
329	Y	94.4	Very high	96.1	Very high	13 Å²	13	34.2 Å²	34.2	5%	0.051	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	135.4	178	-176.2	-96.4	0	0	0	114.1	V303 S304 V305 F327 N331 R450 A451 M452	V303-Y329 PolarHBondContact O-N 3.37Å; S304-Y329 VanDerWaalsContact CA-O 3.32Å; S304-Y329 WeakPolarHBondContact CA-O 3.39Å; V305-Y329 PolarHBondContact N-O 3.15Å; V305-Y329 VanDerWaalsContact N-O 3.11Å; F327-Y329 WeakPolarHBondContact CE2-O 3.42Å; Y329-N331 HydrophobicContact CE1-CB 3.96Å; Y329-R450 HydrophobicContact CD1-CB 3.85Å; Y329-R450 HydrophobicContact CD1-CG 3.82Å; Y329-R450 HydrophobicContact CD2-CB 3.72Å; Y329-R450 HydrophobicContact CE1-CB 4.26Å; Y329-R450 HydrophobicContact CE1-CG 4.26Å; Y329-R450 HydrophobicContact CE2-CB 4.13Å; Y329-R450 HydrophobicContact CG-CB 3.55Å; Y329-R450 HydrophobicContact CG-CG 4Å; Y329-A451 WeakPolarHBondContact CE2-O 3.24Å; Y329-M452 HydrophobicContact CD2-CG 3.82Å; Y329-M452 HydrophobicContact CD2-SD 4.23Å; Y329-M452 HydrophobicContact CE2-CG 3.77Å
330	V	95.5	Very high	96.1	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.5	167.4	-179.4	0	0	0	0	108.6	F327 A334 L351 L354 T358	F327-V330 HydrophobicContact CE2-CG2 3.78Å; F327-V330 HydrophobicContact CZ-CG2 3.5Å; F327-V330 VanDerWaalsContact CZ-CG2 3.5Å; V330-A334 HydrophobicContact CG1-CB 3.84Å; V330-L351 HydrophobicContact CG2-CD2 4.02Å; V330-L354 HydrophobicContact CB-CD1 4.04Å; V330-L354 HydrophobicContact CG1-CD1 4.15Å; V330-L354 HydrophobicContact CG2-CD1 4.49Å; V330-T358 HydrophobicContact CG1-CG2 4.09Å
331	N	94.4	Very high	96.1	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	17%	0.168	C	C	.	.			trans	-65.2	146	179.1	-173.1	-82.5	0	0	0	112.2	V305 R307 Y329 Q333 A334 T358 E483	V305-N331 PolarHBondContact O-N 3.22Å; R307-N331 HydrophobicContact CB-CB 4.46Å; Y329-N331 HydrophobicContact CE1-CB 3.96Å; N331-Q333 PolarHBondContact O-N 2.97Å; N331-Q333 VanDerWaalsContact O-N 3.1Å; N331-Q333 WeakPolarHBondContact OD1-CA 3.2Å; N331-Q333 PolarHBondContact OD1-N 3.22Å; N331-A334 HydrophobicContact CB-CB 4.29Å; N331-A334 VanDerWaalsContact O-CB 3.32Å; N331-A334 WeakPolarHBondContact O-CB 3.39Å; N331-A334 PolarHBondContact O-N 3.35Å; N331-A334 VanDerWaalsContact O-N 3.07Å; N331-T358 PolarHBondContact O-OG1 3.42Å; N331-E483 PolarHBondContact ND2-OE2 3.04Å
332	R	93.1	Very high	96.1	Very high	83 Å²	83	35.8 Å²	35.8	31%	0.313	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.7	178.1	63.2	171.8	-60.2	-164.6	3.2	115.1	Y355 S357 T358 E456	R332-Y355 HydrophobicContact CB-CD2 3.79Å; R332-Y355 HydrophobicContact CB-CE2 4.22Å; R332-Y355 HydrophobicContact CB-CG 4.06Å; R332-S357 PolarHBondContact O-OG 3.42Å; R332-T358 WeakPolarHBondContact CA-OG1 3.45Å; R332-E456 WeakPolarHBondContact CD-OE2 3.11Å; R332-E456 IonicContact CZ-OE2 3.63Å; R332-E456 IonicContact NE-OE2 2.67Å; R332-E456 IonicContact NH1-OE2 2.71Å; R332-E456 PolarHBondContact NH1-OE2 3.14Å
333	Q	94.1	Very high	96.1	Very high	74 Å²	74	35.3 Å²	35.3	35%	0.346	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	28.9	177.6	-71	-175.7	-9.4	0	0	111.4	R307 F308 N331 F335	R307-Q333 HydrophobicContact CG-CB 4.08Å; R307-Q333 VanDerWaalsContact CZ-OE1 3.28Å; F308-Q333 HydrophobicContact CD1-CB 4.43Å; F308-Q333 WeakPolarHBondContact CD1-O 3.26Å; F308-Q333 HydrophobicContact CE1-CB 3.95Å; F308-Q333 PolarHBondContact N-O 2.9Å; N331-Q333 PolarHBondContact O-N 2.97Å; N331-Q333 VanDerWaalsContact O-N 3.1Å; N331-Q333 WeakPolarHBondContact OD1-CA 3.2Å; N331-Q333 PolarHBondContact OD1-N 3.22Å; Q333-F335 VanDerWaalsContact C-N 3.26Å; Q333-F335 PolarHBondContact O-N 3.38Å
334	A	96.4	Very high	96.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-58.8	-37.1	176.4	0	0	0	0	0	113.1	V305 D306 A309 V310 V330 N331	V305-A334 HydrophobicContact CG1-CB 3.92Å; D306-A334 WeakPolarHBondContact O-CA 3.45Å; A309-A334 PolarHBondContact N-O 3.27Å; V310-A334 PolarHBondContact N-O 3.4Å; V310-A334 VanDerWaalsContact N-O 3.1Å; V330-A334 HydrophobicContact CG1-CB 3.84Å; N331-A334 HydrophobicContact CB-CB 4.29Å; N331-A334 VanDerWaalsContact O-CB 3.32Å; N331-A334 WeakPolarHBondContact O-CB 3.39Å; N331-A334 PolarHBondContact O-N 3.35Å; N331-A334 VanDerWaalsContact O-N 3.07Å
335	F	96.6	Very high	96.1	Very high	14 Å²	14	33.3 Å²	33.3	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.3	178.1	-52.7	-69.1	0	0	0	111	V310 L319 Q333 V338 L344 T358 L362	V310-F335 HydrophobicContact CB-CD1 3.78Å; V310-F335 HydrophobicContact CB-CE1 4.18Å; V310-F335 HydrophobicContact CG1-CD1 4.1Å; V310-F335 HydrophobicContact CG1-CE1 4.5Å; V310-F335 HydrophobicContact CG2-CD1 4.13Å; V310-F335 HydrophobicContact CG2-CE1 4Å; V310-F335 WeakPolarHBondContact O-CA 3.37Å; L319-F335 HydrophobicContact CD2-CE1 3.51Å; L319-F335 HydrophobicContact CD2-CZ 3.79Å; Q333-F335 VanDerWaalsContact C-N 3.26Å; Q333-F335 PolarHBondContact O-N 3.38Å; F335-V338 HydrophobicContact CB-CG2 4.15Å; F335-V338 HydrophobicContact CD1-CG2 4.48Å; F335-L344 HydrophobicContact CE2-CD2 4.43Å; F335-L344 HydrophobicContact CZ-CD1 4.25Å; F335-T358 HydrophobicContact CD2-CG2 3.6Å; F335-T358 HydrophobicContact CE2-CG2 3.57Å; F335-L362 HydrophobicContact CB-CD2 3.86Å; F335-L362 HydrophobicContact CD1-CD2 4.44Å; F335-L362 HydrophobicContact CD2-CD1 3.92Å; F335-L362 HydrophobicContact CD2-CD2 4.24Å; F335-L362 HydrophobicContact CD2-CG 4.31Å; F335-L362 HydrophobicContact CE2-CD1 4.19Å; F335-L362 HydrophobicContact CG-CD1 4.42Å; F335-L362 HydrophobicContact CG-CD2 3.92Å; F335-L362 HydrophobicContact CG-CG 4.47Å
336	R	95.6	Very high	96.3	Very high	74 Å²	74	29.6 Å²	29.6	28%	0.279	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.2	169	-179	171.5	68.4	-153.8	-1.3	109.8	F308 V310 D311 N312 V338	F308-R336 HydrophobicContact CD1-CB 3.9Å; F308-R336 HydrophobicContact CE1-CB 4.32Å; F308-R336 VanDerWaalsContact CZ-NH1 3.28Å; V310-R336 PolarHBondContact O-N 3.19Å; D311-R336 WeakPolarHBondContact CA-O 3.38Å; D311-R336 IonicContact OD1-CZ 2.67Å; D311-R336 VanDerWaalsContact OD1-CZ 3.22Å; D311-R336 IonicContact OD1-NE 3.35Å; D311-R336 PolarHBondContact OD1-NE 3.1Å; D311-R336 IonicContact OD1-NH2 3.76Å; D311-R336 PolarHBondContact OD1-NH2 3.36Å; D311-R336 IonicContact OD2-CZ 3.69Å; D311-R336 IonicContact OD2-NH2 3.61Å; D311-R336 PolarHBondContact OD2-NH2 3.49Å; N312-R336 PolarHBondContact N-O 3.42Å; R336-V338 VanDerWaalsContact C-N 3.34Å; R336-V338 WeakPolarHBondContact O-CG2 3.47Å; R336-V338 PolarHBondContact O-N 3.31Å
337	D	96.1	Very high	96.4	Very high	104 Å²	104	27.7 Å²	27.7	56%	0.556	14%	0.137	S	C	*	.	S	Bend	trans	52.6	49.5	179.3	-56.6	-35.8	0	0	0	113	N312 L313 P339	N312-D337 HydrophobicContact CB-CB 4.43Å; L313-D337 PolarHBondContact N-O 2.65Å; L313-D337 VanDerWaalsContact N-O 3.11Å; D337-P339 VanDerWaalsContact O-CD 3.25Å; D337-P339 WeakPolarHBondContact O-CD 3.22Å
338	V	97.4	Very high	96.4	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.018	16%	0.157	C	C	.	.			trans	-116.2	60.4	176.5	-161.5	0	0	0	0	110.7	V310 L313 L316 F335 R336 A340 L341 L362	V310-V338 HydrophobicContact CG1-CG2 3.86Å; L313-V338 HydrophobicContact CB-CG1 4.47Å; L316-V338 HydrophobicContact CB-CG1 4.04Å; L316-V338 HydrophobicContact CD2-CG1 3.9Å; F335-V338 HydrophobicContact CB-CG2 4.15Å; F335-V338 HydrophobicContact CD1-CG2 4.48Å; R336-V338 VanDerWaalsContact C-N 3.34Å; R336-V338 WeakPolarHBondContact O-CG2 3.47Å; R336-V338 PolarHBondContact O-N 3.31Å; V338-A340 VanDerWaalsContact C-N 3.33Å; V338-A340 PolarHBondContact O-N 3.42Å; V338-L341 HydrophobicContact CG1-CB 4.09Å; V338-L362 HydrophobicContact CB-CD2 4.17Å
339	P	97	Very high	96.6	Very high	55 Å²	55	31.9 Å²	31.9	36%	0.357	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.9	-169.8	28.3	-38.2	0	0	0	114.7	D337 P363 N364	D337-P339 VanDerWaalsContact O-CD 3.25Å; D337-P339 WeakPolarHBondContact O-CD 3.22Å; P339-P363 HydrophobicContact CB-CG 4.39Å; P339-N364 WeakPolarHBondContact O-CB 3.4Å; P339-N364 PolarHBondContact O-ND2 2.96Å
340	A	97.9	Very high	96.7	Very high	24 Å²	24	31.8 Å²	31.8	20%	0.198	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.6	-171.7	0	0	0	0	0	115	P314 L316 V338 E342	P314-A340 WeakPolarHBondContact O-CB 3.48Å; L316-A340 CarbonylContact O-C 3.28Å; V338-A340 VanDerWaalsContact C-N 3.33Å; V338-A340 PolarHBondContact O-N 3.42Å; A340-E342 WeakPolarHBondContact O-CG 3.31Å; A340-E342 PolarHBondContact O-N 2.87Å; A340-E342 VanDerWaalsContact O-N 3.12Å
341	L	98.3	Very high	96.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.16	C	C	.	.			trans	-68.6	113.3	-173.2	-167.1	72.1	0	0	0	110.5	L316 L319 V338 L344 L362 N364 L365	L316-L341 HydrophobicContact CD2-CD1 3.95Å; L316-L341 HydrophobicContact CG-CD1 3.98Å; L316-L341 WeakPolarHBondContact O-CA 3.33Å; L316-L341 PolarHBondContact O-N 2.92Å; L319-L341 HydrophobicContact CB-CD1 4.04Å; V338-L341 HydrophobicContact CG1-CB 4.09Å; L341-L344 HydrophobicContact CD2-CB 4.47Å; L341-L362 HydrophobicContact CB-CD2 4.2Å; L341-L362 HydrophobicContact CD2-CD1 3.88Å; L341-L362 HydrophobicContact CD2-CD2 3.81Å; L341-L362 HydrophobicContact CD2-CG 4.43Å; L341-N364 CarbonylContact O-C 3.58Å; L341-L365 HydrophobicContact CD2-CD1 4.34Å; L341-L365 HydrophobicContact CG-CD1 4.25Å; L341-L365 VanDerWaalsContact O-CA 3.22Å; L341-L365 WeakPolarHBondContact O-CA 3.5Å; L341-L365 PolarHBondContact O-N 3.06Å
342	E	97.5	Very high	96.5	Very high	66 Å²	66	32 Å²	32	31%	0.308	16%	0.162	S	C	.	.			trans	-99.1	-30.9	179.7	-56.1	-163.8	161.2	0	0	112	T317 A340 R366 E367	T317-E342 PolarHBondContact O-N 2.94Å; A340-E342 WeakPolarHBondContact O-CG 3.31Å; A340-E342 PolarHBondContact O-N 2.87Å; A340-E342 VanDerWaalsContact O-N 3.12Å; E342-R366 HydrophobicContact CB-CG 4.4Å; E342-R366 PolarHBondContact O-N 2.78Å; E342-R366 IonicContact OE1-CZ 3.94Å; E342-R366 IonicContact OE1-NE 3.24Å; E342-R366 IonicContact OE1-NH1 2.73Å; E342-R366 PolarHBondContact OE1-NH1 3.39Å; E342-R366 IonicContact OE1-NH2 2.87Å; E342-R366 PolarHBondContact OE1-NH2 3.46Å; E342-R366 IonicContact OE2-CZ 2.77Å; E342-R366 IonicContact OE2-NH1 2.68Å; E342-R366 PolarHBondContact OE2-NH1 2.91Å; E342-R366 IonicContact OE2-NH2 2.81Å; E342-E367 PolarHBondContact O-N 3.32Å
343	S	98.1	Very high	96.5	Very high	10 Å²	10	28 Å²	28	7%	0.07	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.2	-171.3	-172.7	0	0	0	0	112	T317 K318 L319 M345 E367	T317-S343 PolarHBondContact O-N 3.37Å; T317-S343 VanDerWaalsContact O-N 3.13Å; K318-S343 WeakPolarHBondContact CA-O 3.22Å; L319-S343 PolarHBondContact N-O 2.79Å; S343-M345 VanDerWaalsContact OG-CE 3.25Å; S343-M345 WeakPolarHBondContact OG-CE 3.38Å; S343-E367 WeakPolarHBondContact CB-OE1 3.38Å; S343-E367 PolarHBondContact OG-OE1 3.5Å
344	L	98.1	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.2	180	176.9	58.7	0	0	0	110.8	L319 F335 L341 L346 L362 L365 E367 I368 S369	L319-L344 HydrophobicContact CB-CD1 4.15Å; L319-L344 HydrophobicContact CD2-CD1 3.87Å; L319-L344 HydrophobicContact CG-CD1 4.1Å; F335-L344 HydrophobicContact CE2-CD2 4.43Å; F335-L344 HydrophobicContact CZ-CD1 4.25Å; L341-L344 HydrophobicContact CD2-CB 4.47Å; L344-L346 HydrophobicContact CD1-CD1 4.3Å; L344-L346 HydrophobicContact CD1-CD2 4.07Å; L344-L346 HydrophobicContact CD1-CG 4.04Å; L344-L346 HydrophobicContact CD2-CD1 4.04Å; L344-L346 HydrophobicContact CG-CD1 3.98Å; L344-L346 HydrophobicContact CG-CG 3.99Å; L344-L362 HydrophobicContact CD2-CD1 4.16Å; L344-L365 HydrophobicContact CB-CD1 3.77Å; L344-E367 PolarHBondContact N-O 3.06Å; L344-E367 VanDerWaalsContact N-O 3.11Å; L344-I368 HydrophobicContact CB-CG1 4.36Å; L344-I368 HydrophobicContact CD2-CD1 4.16Å; L344-I368 HydrophobicContact CD2-CG1 4.43Å; L344-I368 HydrophobicContact CG-CG1 4.36Å; L344-I368 WeakPolarHBondContact O-CA 3.36Å; L344-S369 PolarHBondContact O-N 3.29Å
345	M	98.1	Very high	96.4	Very high	19 Å²	19	25.3 Å²	25.3	9%	0.094	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112	-176	-58.4	-66.7	116.9	0	0	110.8	L319 E320 A321 T322 S343 E367 S369 M394	L319-M345 PolarHBondContact O-N 3.35Å; E320-M345 HydrophobicContact CB-CB 4.5Å; E320-M345 HydrophobicContact CG-CB 4.31Å; E320-M345 HydrophobicContact CG-CG 4.34Å; A321-M345 CarbonylContact C-O 3.53Å; A321-M345 PolarHBondContact N-O 2.95Å; T322-M345 HydrophobicContact CG2-CB 3.71Å; S343-M345 VanDerWaalsContact OG-CE 3.25Å; S343-M345 WeakPolarHBondContact OG-CE 3.38Å; M345-E367 HydrophobicContact CE-CG 4.03Å; M345-S369 WeakPolarHBondContact SD-CB 3.36Å; M345-M394 HydrophobicContact CE-CG 4.16Å
346	L	97.8	Very high	96.1	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	15%	0.153	C	C	.	.			trans	-128.8	22.3	-175.7	-59	173.6	0	0	0	112.2	A321 F327 L344 N349 L351 L354 S369 I370 N373	A321-L346 HydrophobicContact CB-CD2 4.1Å; F327-L346 HydrophobicContact CE1-CD2 3.9Å; F327-L346 HydrophobicContact CZ-CD2 4.35Å; L344-L346 HydrophobicContact CD1-CD1 4.3Å; L344-L346 HydrophobicContact CD1-CD2 4.07Å; L344-L346 HydrophobicContact CD1-CG 4.04Å; L344-L346 HydrophobicContact CD2-CD1 4.04Å; L344-L346 HydrophobicContact CG-CD1 3.98Å; L344-L346 HydrophobicContact CG-CG 3.99Å; L346-N349 PolarHBondContact O-ND2 2.86Å; L346-L351 HydrophobicContact CB-CD1 3.88Å; L346-L351 HydrophobicContact CD1-CD1 4.28Å; L346-L351 HydrophobicContact CG-CD1 4.47Å; L346-L354 HydrophobicContact CD1-CD1 4.44Å; L346-L354 HydrophobicContact CD1-CD2 3.96Å; L346-S369 CarbonylContact C-O 3.1Å; L346-S369 VanDerWaalsContact C-O 3.26Å; L346-S369 VanDerWaalsContact CA-O 3.22Å; L346-S369 WeakPolarHBondContact CA-O 3.31Å; L346-S369 VanDerWaalsContact CB-O 3.31Å; L346-S369 WeakPolarHBondContact CB-O 3.3Å; L346-S369 PolarHBondContact N-O 2.83Å; L346-I370 HydrophobicContact CB-CG1 4.49Å; L346-N373 PolarHBondContact O-ND2 3.14Å
347	N	97.4	Very high	96	Very high	26 Å²	26	27.5 Å²	27.5	14%	0.139	15%	0.152	C	C	.	.			trans	-79.6	154.7	-178.4	53.8	-89.2	0	0	0	114.1	T322 N323 S369 H371	T322-N347 VanDerWaalsContact CA-O 3.31Å; T322-N347 WeakPolarHBondContact CA-O 3.09Å; T322-N347 WeakPolarHBondContact CB-O 3.35Å; T322-N347 WeakPolarHBondContact CG2-OD1 2.91Å; N323-N347 PolarHBondContact N-O 3.14Å; N347-S369 WeakPolarHBondContact CB-OG 3.38Å; N347-S369 PolarHBondContact N-O 3.2Å; N347-S369 VanDerWaalsContact OD1-CB 3.3Å; N347-S369 WeakPolarHBondContact OD1-CB 3.34Å; N347-S369 PolarHBondContact OD1-OG 3.31Å; N347-H371 VanDerWaalsContact CA-O 3.28Å; N347-H371 WeakPolarHBondContact CA-O 3.36Å; N347-H371 WeakPolarHBondContact CB-NE2 3.28Å; N347-H371 WeakPolarHBondContact CB-O 3.41Å
348	N	97.3	Very high	95.9	Very high	80 Å²	80	22.6 Å²	22.6	43%	0.428	13%	0.126	S	C	.	.	S	Bend	trans	59.8	49	177.4	-164	39.9	0	0	0	113.3	N323 N324 H371 S372	N323-N348 CarbonylContact C-O 3.18Å; N323-N348 WeakPolarHBondContact CA-O 3.44Å; N323-N348 PolarHBondContact N-O 2.75Å; N323-N348 WeakPolarHBondContact OD1-CB 3.42Å; N323-N348 PolarHBondContact OD1-ND2 2.69Å; N324-N348 PolarHBondContact N-O 2.78Å; N348-H371 PolarHBondContact N-O 2.84Å; N348-H371 VanDerWaalsContact N-O 3.09Å; N348-S372 WeakPolarHBondContact CA-O 3.22Å
349	N	97.7	Very high	95.7	Very high	11 Å²	11	22.8 Å²	22.8	6%	0.059	13%	0.127	C	C	.	.	S	Bend	trans	-125.3	-167	177.4	-56	-46	0	0	0	110.6	A321 N323 N324 F327 L346 L351 N373 P374	A321-N349 PolarHBondContact O-ND2 2.84Å; A321-N349 PolarHBondContact O-OD1 2.85Å; N323-N349 PolarHBondContact N-OD1 2.96Å; N324-N349 WeakPolarHBondContact CA-OD1 3.14Å; N324-N349 VanDerWaalsContact CB-OD1 3.28Å; N324-N349 WeakPolarHBondContact CB-OD1 3.48Å; N324-N349 PolarHBondContact N-OD1 2.88Å; N324-N349 WeakPolarHBondContact O-CA 3.45Å; N324-N349 PolarHBondContact O-OD1 3.33Å; F327-N349 HydrophobicContact CB-CB 4.24Å; F327-N349 HydrophobicContact CD1-CB 4.16Å; L346-N349 PolarHBondContact O-ND2 2.86Å; N349-L351 HydrophobicContact CB-CG 4.26Å; N349-N373 WeakPolarHBondContact CA-OD1 3.28Å; N349-N373 VanDerWaalsContact CB-OD1 3.29Å; N349-N373 WeakPolarHBondContact CB-OD1 3.31Å; N349-N373 PolarHBondContact N-OD1 2.84Å; N349-N373 PolarHBondContact O-OD1 2.76Å; N349-P374 WeakPolarHBondContact O-CD 3.46Å
350	A	95.8	Very high	95.5	Very high	10 Å²	10	25.1 Å²	25.1	8%	0.083	14%	0.137	C	C	.	.			trans	-104.2	19	177.5	0	0	0	0	0	113.5	F327 S328 N352 P374	F327-A350 CarbonylContact O-C 3.46Å; F327-A350 VanDerWaalsContact O-C 3.28Å; F327-A350 WeakPolarHBondContact O-CA 3.4Å; F327-A350 PolarHBondContact O-N 3.48Å; S328-A350 WeakPolarHBondContact CA-O 2.94Å; S328-A350 WeakPolarHBondContact CB-O 3.34Å; A350-N352 PolarHBondContact O-N 2.84Å; A350-P374 WeakPolarHBondContact O-CG 3.29Å
351	L	95	Very high	95.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.			trans	-66.3	128.1	-174.7	-61.2	172.9	0	0	0	111.4	F327 V330 L346 N349 N373 P374	F327-L351 HydrophobicContact CD2-CD2 4.36Å; F327-L351 HydrophobicContact CE2-CD2 4.29Å; F327-L351 HydrophobicContact CG-CD2 4.49Å; F327-L351 HydrophobicContact CZ-CD2 4.39Å; F327-L351 PolarHBondContact O-N 3.39Å; V330-L351 HydrophobicContact CG2-CD2 4.02Å; L346-L351 HydrophobicContact CB-CD1 3.88Å; L346-L351 HydrophobicContact CD1-CD1 4.28Å; L346-L351 HydrophobicContact CG-CD1 4.47Å; N349-L351 HydrophobicContact CB-CG 4.26Å; L351-N373 HydrophobicContact CB-CB 4.44Å; L351-N373 WeakPolarHBondContact CB-OD1 3.22Å; L351-N373 PolarHBondContact N-OD1 3.02Å; L351-P374 CarbonylContact O-C 3.5Å; L351-P374 WeakPolarHBondContact O-CD 3.23Å
352	N	92.3	Very high	95.2	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.059	15%	0.145	C	C	.	.			trans	-85.1	-31.2	173.3	-61.2	128.9	0	0	0	112.5	A350 P374 L375 R376	A350-N352 PolarHBondContact O-N 2.84Å; N352-P374 PolarHBondContact ND2-O 2.74Å; N352-L375 CarbonylContact O-C 3.58Å; N352-L375 WeakPolarHBondContact O-CA 3.42Å; N352-R376 HydrophobicContact CB-CB 4.46Å; N352-R376 PolarHBondContact O-N 2.81Å
353	A	92.6	Very high	95	Very high	1 Å²	1	28 Å²	28	1%	0.008	16%	0.16	C	C	.	.			trans	-158.5	172.7	176.6	0	0	0	0	0	110.6	V380 I381 M452	A353-V380 HydrophobicContact CB-CB 4.08Å; A353-V380 HydrophobicContact CB-CG1 3.75Å; A353-I381 HydrophobicContact CB-CG2 3.44Å; A353-I381 VanDerWaalsContact CB-CG2 3.44Å; A353-M452 HydrophobicContact CB-CE 3.73Å; A353-M452 HydrophobicContact CB-SD 3.96Å
354	L	94.1	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.			trans	-133.7	128.5	164.5	-175.2	67	0	0	0	108	V330 L346 T358 V359 I368 I370 W383 M384	V330-L354 HydrophobicContact CB-CD1 4.04Å; V330-L354 HydrophobicContact CG1-CD1 4.15Å; V330-L354 HydrophobicContact CG2-CD1 4.49Å; L346-L354 HydrophobicContact CD1-CD1 4.44Å; L346-L354 HydrophobicContact CD1-CD2 3.96Å; L354-T358 HydrophobicContact CD1-CG2 3.9Å; L354-V359 HydrophobicContact CD2-CG2 3.74Å; L354-V359 HydrophobicContact CG-CG2 4.33Å; L354-I368 HydrophobicContact CD2-CD1 3.57Å; L354-I370 HydrophobicContact CB-CD1 3.87Å; L354-I370 HydrophobicContact CD2-CD1 4.43Å; L354-W383 HydrophobicContact CB-CZ2 4.47Å; L354-W383 HydrophobicContact CD2-CZ2 4.25Å; L354-W383 PolarHBondContact O-NE1 3.3Å; L354-M384 HydrophobicContact CB-CE 3.75Å
355	Y	93.6	Very high	94.8	Very high	16 Å²	16	32.2 Å²	32.2	6%	0.063	18%	0.181	C	C	.	.			trans	-66	141.3	179.8	-74.6	-76.7	0	0	0	111.5	R332 S357 T358 V380 M452 S453	R332-Y355 HydrophobicContact CB-CD2 3.79Å; R332-Y355 HydrophobicContact CB-CE2 4.22Å; R332-Y355 HydrophobicContact CB-CG 4.06Å; Y355-S357 PolarHBondContact O-N 3.09Å; Y355-T358 WeakPolarHBondContact O-CB 3.25Å; Y355-T358 PolarHBondContact O-N 2.96Å; Y355-T358 VanDerWaalsContact O-N 3.14Å; Y355-V380 HydrophobicContact CD1-CG1 3.73Å; Y355-V380 HydrophobicContact CE1-CG1 3.96Å; Y355-V380 HydrophobicContact CG-CG1 4.24Å; Y355-M452 HydrophobicContact CD2-CE 3.69Å; Y355-M452 HydrophobicContact CE2-CE 3.53Å; Y355-M452 HydrophobicContact CE2-CG 4.4Å; Y355-M452 HydrophobicContact CG-CE 4.42Å; Y355-M452 WeakPolarHBondContact OH-CA 3.4Å; Y355-S453 WeakPolarHBondContact CE1-O 3.29Å; Y355-S453 PolarHBondContact OH-N 2.98Å; Y355-S453 PolarHBondContact OH-O 3.31Å
356	Q	91.4	Very high	94.7	Very high	97 Å²	97	38 Å²	38	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-57.3	-40.4	172.5	-163.5	-169	-38.8	0	0	111.2	T358 V359 D360 W383	Q356-T358 PolarHBondContact O-N 3.5Å; Q356-V359 CarbonylContact O-C 3.37Å; Q356-V359 WeakPolarHBondContact O-CA 3.34Å; Q356-V359 WeakPolarHBondContact O-CB 3.36Å; Q356-V359 PolarHBondContact O-N 3.11Å; Q356-D360 WeakPolarHBondContact CG-OD2 3.19Å; Q356-D360 PolarHBondContact NE2-OD1 3.07Å; Q356-D360 PolarHBondContact NE2-OD2 3.13Å; Q356-D360 VanDerWaalsContact NE2-OD2 3.16Å; Q356-D360 VanDerWaalsContact O-CG 3.32Å; Q356-D360 PolarHBondContact O-N 3.09Å; Q356-W383 HydrophobicContact CB-CB 4.02Å; Q356-W383 HydrophobicContact CB-CG 3.79Å; Q356-W383 HydrophobicContact CG-CB 3.65Å; Q356-W383 HydrophobicContact CG-CD2 4.3Å; Q356-W383 HydrophobicContact CG-CG 3.74Å
357	S	92.4	Very high	94.6	Very high	38 Å²	38	40.4 Å²	40.4	27%	0.266	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-25.5	-179.9	70.3	0	0	0	0	114.3	R332 Y355 V359 S361	R332-S357 PolarHBondContact O-OG 3.42Å; Y355-S357 PolarHBondContact O-N 3.09Å; S357-V359 PolarHBondContact O-N 3.25Å; S357-S361 PolarHBondContact O-N 2.98Å
358	T	94.3	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-29.3	173	-54.3	0	0	0	0	111.3	V330 N331 R332 F335 L354 Y355 Q356 S361 L362	V330-T358 HydrophobicContact CG1-CG2 4.09Å; N331-T358 PolarHBondContact O-OG1 3.42Å; R332-T358 WeakPolarHBondContact CA-OG1 3.45Å; F335-T358 HydrophobicContact CD2-CG2 3.6Å; F335-T358 HydrophobicContact CE2-CG2 3.57Å; L354-T358 HydrophobicContact CD1-CG2 3.9Å; Y355-T358 WeakPolarHBondContact O-CB 3.25Å; Y355-T358 PolarHBondContact O-N 2.96Å; Y355-T358 VanDerWaalsContact O-N 3.14Å; Q356-T358 PolarHBondContact O-N 3.5Å; T358-S361 PolarHBondContact O-OG 3.4Å; T358-L362 WeakPolarHBondContact O-CD1 3.39Å
359	V	93.1	Very high	94.5	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-91.7	-38.9	-179.6	175.5	0	0	0	0	110.9	L354 Q356 S357 S361 L362 L365 I368 W383 I391	L354-V359 HydrophobicContact CD2-CG2 3.74Å; L354-V359 HydrophobicContact CG-CG2 4.33Å; Q356-V359 CarbonylContact O-C 3.37Å; Q356-V359 WeakPolarHBondContact O-CA 3.34Å; Q356-V359 WeakPolarHBondContact O-CB 3.36Å; Q356-V359 PolarHBondContact O-N 3.11Å; S357-V359 PolarHBondContact O-N 3.25Å; V359-S361 PolarHBondContact O-N 3.03Å; V359-L362 WeakPolarHBondContact O-CB 3.4Å; V359-L362 PolarHBondContact O-N 2.94Å; V359-L365 HydrophobicContact CG1-CD2 4.03Å; V359-I368 HydrophobicContact CG2-CD1 4.45Å; V359-W383 HydrophobicContact CB-CH2 4.38Å; V359-W383 HydrophobicContact CG1-CH2 4.29Å; V359-W383 HydrophobicContact CG1-CZ3 4.3Å; V359-W383 HydrophobicContact CG2-CH2 3.73Å; V359-W383 HydrophobicContact CG2-CZ2 3.76Å; V359-W383 HydrophobicContact CG2-CZ3 4.49Å; V359-I391 HydrophobicContact CG1-CD1 3.19Å
360	D	92.1	Very high	94.4	Very high	105 Å²	105	35 Å²	35	56%	0.561	18%	0.184	S	C	*	.	H	α-helix	trans	-62	-21.7	174	-61.5	-32.1	0	0	0	112.3	Q356 L362	Q356-D360 WeakPolarHBondContact CG-OD2 3.19Å; Q356-D360 PolarHBondContact NE2-OD1 3.07Å; Q356-D360 PolarHBondContact NE2-OD2 3.13Å; Q356-D360 VanDerWaalsContact NE2-OD2 3.16Å; Q356-D360 VanDerWaalsContact O-CG 3.32Å; Q356-D360 PolarHBondContact O-N 3.09Å; D360-L362 PolarHBondContact O-N 3.18Å
361	S	93.9	Very high	94.4	Very high	48 Å²	48	35.4 Å²	35.4	34%	0.336	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.3	173.4	72	0	0	0	0	114.4	S357 T358 V359 P363	S357-S361 PolarHBondContact O-N 2.98Å; T358-S361 PolarHBondContact O-OG 3.4Å; V359-S361 PolarHBondContact O-N 3.03Å; S361-P363 VanDerWaalsContact O-CD 3.31Å; S361-P363 WeakPolarHBondContact O-CD 3.27Å
362	L	96	Very high	94.5	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	21%	0.206	C	C	.	.			trans	-114.5	82.2	-175.5	-60.6	169.9	0	0	0	110.2	F335 V338 L341 L344 T358 V359 D360 N364 L365	F335-L362 HydrophobicContact CB-CD2 3.86Å; F335-L362 HydrophobicContact CD1-CD2 4.44Å; F335-L362 HydrophobicContact CD2-CD1 3.92Å; F335-L362 HydrophobicContact CD2-CD2 4.24Å; F335-L362 HydrophobicContact CD2-CG 4.31Å; F335-L362 HydrophobicContact CE2-CD1 4.19Å; F335-L362 HydrophobicContact CG-CD1 4.42Å; F335-L362 HydrophobicContact CG-CD2 3.92Å; F335-L362 HydrophobicContact CG-CG 4.47Å; V338-L362 HydrophobicContact CB-CD2 4.17Å; L341-L362 HydrophobicContact CB-CD2 4.2Å; L341-L362 HydrophobicContact CD2-CD1 3.88Å; L341-L362 HydrophobicContact CD2-CD2 3.81Å; L341-L362 HydrophobicContact CD2-CG 4.43Å; L344-L362 HydrophobicContact CD2-CD1 4.16Å; T358-L362 WeakPolarHBondContact O-CD1 3.39Å; V359-L362 WeakPolarHBondContact O-CB 3.4Å; V359-L362 PolarHBondContact O-N 2.94Å; D360-L362 PolarHBondContact O-N 3.18Å; L362-N364 VanDerWaalsContact C-N 3.29Å; L362-N364 PolarHBondContact O-N 3Å; L362-N364 VanDerWaalsContact O-N 3.16Å; L362-L365 HydrophobicContact CB-CB 3.98Å; L362-L365 HydrophobicContact CD1-CD2 4.19Å; L362-L365 WeakPolarHBondContact O-CB 3.31Å; L362-L365 PolarHBondContact O-N 2.75Å
363	P	94.2	Very high	94.7	Very high	96 Å²	96	38.6 Å²	38.6	62%	0.623	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.8	-163.8	26.6	-36.7	0	0	0	115.2	P339 S361	P339-P363 HydrophobicContact CB-CG 4.39Å; S361-P363 VanDerWaalsContact O-CD 3.31Å; S361-P363 WeakPolarHBondContact O-CD 3.27Å
364	N	95.9	Very high	94.8	Very high	85 Å²	85	40.8 Å²	40.8	46%	0.455	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	11.3	179.3	-70.3	-60.5	0	0	0	113.6	P339 L341 L362 R366	P339-N364 WeakPolarHBondContact O-CB 3.4Å; P339-N364 PolarHBondContact O-ND2 2.96Å; L341-N364 CarbonylContact O-C 3.58Å; L362-N364 VanDerWaalsContact C-N 3.29Å; L362-N364 PolarHBondContact O-N 3Å; L362-N364 VanDerWaalsContact O-N 3.16Å; N364-R366 WeakPolarHBondContact O-CG 3.45Å; N364-R366 PolarHBondContact O-N 3.35Å
365	L	96.8	Very high	94.8	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	22%	0.221	C	C	.	.			trans	-63.2	120.5	-177.8	-166.9	72.3	0	0	0	110.8	L341 L344 V359 L362 I391	L341-L365 HydrophobicContact CD2-CD1 4.34Å; L341-L365 HydrophobicContact CG-CD1 4.25Å; L341-L365 VanDerWaalsContact O-CA 3.22Å; L341-L365 WeakPolarHBondContact O-CA 3.5Å; L341-L365 PolarHBondContact O-N 3.06Å; L344-L365 HydrophobicContact CB-CD1 3.77Å; V359-L365 HydrophobicContact CG1-CD2 4.03Å; L362-L365 HydrophobicContact CB-CB 3.98Å; L362-L365 HydrophobicContact CD1-CD2 4.19Å; L362-L365 WeakPolarHBondContact O-CB 3.31Å; L362-L365 PolarHBondContact O-N 2.75Å; L365-I391 HydrophobicContact CD2-CD1 4.3Å
366	R	95.3	Very high	94.7	Very high	142 Å²	142	41.3 Å²	41.3	54%	0.536	22%	0.223	S	C	.	.			trans	-102.2	-40.5	-177.8	-61.2	-169.5	-178.6	136.1	17.9	112	E342 N364 R392	E342-R366 HydrophobicContact CB-CG 4.4Å; E342-R366 PolarHBondContact O-N 2.78Å; E342-R366 IonicContact OE1-CZ 3.94Å; E342-R366 IonicContact OE1-NE 3.24Å; E342-R366 IonicContact OE1-NH1 2.73Å; E342-R366 PolarHBondContact OE1-NH1 3.39Å; E342-R366 IonicContact OE1-NH2 2.87Å; E342-R366 PolarHBondContact OE1-NH2 3.46Å; E342-R366 IonicContact OE2-CZ 2.77Å; E342-R366 IonicContact OE2-NH1 2.68Å; E342-R366 PolarHBondContact OE2-NH1 2.91Å; E342-R366 IonicContact OE2-NH2 2.81Å; N364-R366 WeakPolarHBondContact O-CG 3.45Å; N364-R366 PolarHBondContact O-N 3.35Å; R366-R392 WeakPolarHBondContact O-CB 3.33Å; R366-R392 PolarHBondContact O-N 2.77Å
367	E	96.1	Very high	94.7	Very high	55 Å²	55	37.5 Å²	37.5	26%	0.257	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.4	-175.9	62.1	-180	-153.8	0	0	112.9	E342 S343 L344 M345 R392	E342-E367 PolarHBondContact O-N 3.32Å; S343-E367 WeakPolarHBondContact CB-OE1 3.38Å; S343-E367 PolarHBondContact OG-OE1 3.5Å; L344-E367 PolarHBondContact N-O 3.06Å; L344-E367 VanDerWaalsContact N-O 3.11Å; M345-E367 HydrophobicContact CE-CG 4.03Å; E367-R392 VanDerWaalsContact CA-O 3.25Å; E367-R392 WeakPolarHBondContact CA-O 3.46Å; E367-R392 HydrophobicContact CB-CB 4.33Å
368	I	96.2	Very high	94.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.1	175.4	-165.6	173.2	0	0	0	109.9	L344 L354 V359 W383 I391 R392 F393 M394	L344-I368 HydrophobicContact CB-CG1 4.36Å; L344-I368 HydrophobicContact CD2-CD1 4.16Å; L344-I368 HydrophobicContact CD2-CG1 4.43Å; L344-I368 HydrophobicContact CG-CG1 4.36Å; L344-I368 WeakPolarHBondContact O-CA 3.36Å; L354-I368 HydrophobicContact CD2-CD1 3.57Å; V359-I368 HydrophobicContact CG2-CD1 4.45Å; I368-W383 HydrophobicContact CD1-CH2 4.3Å; I368-I391 HydrophobicContact CB-CG2 4.15Å; I368-I391 HydrophobicContact CG2-CG2 3.73Å; I368-R392 PolarHBondContact N-O 3.35Å; I368-F393 HydrophobicContact CG2-CD1 3.57Å; I368-F393 HydrophobicContact CG2-CE1 3.64Å; I368-F393 HydrophobicContact CG2-CG 4.2Å; I368-F393 HydrophobicContact CG2-CZ 4.31Å; I368-F393 CarbonylContact O-C 3.09Å; I368-F393 WeakPolarHBondContact O-CA 3.4Å; I368-M394 PolarHBondContact O-N 3.16Å
369	S	96.6	Very high	94.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120	170.5	-167.7	0	0	0	0	109.4	L344 M345 L346 N347 H371	L344-S369 PolarHBondContact O-N 3.29Å; M345-S369 WeakPolarHBondContact SD-CB 3.36Å; L346-S369 CarbonylContact C-O 3.1Å; L346-S369 VanDerWaalsContact C-O 3.26Å; L346-S369 VanDerWaalsContact CA-O 3.22Å; L346-S369 WeakPolarHBondContact CA-O 3.31Å; L346-S369 VanDerWaalsContact CB-O 3.31Å; L346-S369 WeakPolarHBondContact CB-O 3.3Å; L346-S369 PolarHBondContact N-O 2.83Å; N347-S369 WeakPolarHBondContact CB-OG 3.38Å; N347-S369 PolarHBondContact N-O 3.2Å; N347-S369 VanDerWaalsContact OD1-CB 3.3Å; N347-S369 WeakPolarHBondContact OD1-CB 3.34Å; N347-S369 PolarHBondContact OD1-OG 3.31Å; S369-H371 PolarHBondContact OG-CD2 3.07Å; S369-H371 PolarHBondContact OG-NE2 2.96Å
370	I	95.8	Very high	94.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.209	C	C	.	.			trans	-138.2	10.7	179.1	-156.4	174.1	0	0	0	112.2	L346 L354 N373 L375 M384 M399	L346-I370 HydrophobicContact CB-CG1 4.49Å; L354-I370 HydrophobicContact CB-CD1 3.87Å; L354-I370 HydrophobicContact CD2-CD1 4.43Å; I370-N373 PolarHBondContact O-ND2 3.08Å; I370-L375 HydrophobicContact CD1-CD2 4.28Å; I370-L375 HydrophobicContact CG1-CD2 4.39Å; I370-M384 HydrophobicContact CD1-CE 3.72Å; I370-M384 HydrophobicContact CG2-SD 4.39Å; I370-M399 HydrophobicContact CG2-SD 3.75Å
371	H	95.6	Very high	94.1	Very high	20 Å²	20	33.5 Å²	33.5	9%	0.093	18%	0.183	C	C	.	.			trans	-64.5	166.3	175.6	70.5	89.4	0	0	0	112.3	N347 N348 S369 N373 E395 M399	N347-H371 VanDerWaalsContact CA-O 3.28Å; N347-H371 WeakPolarHBondContact CA-O 3.36Å; N347-H371 WeakPolarHBondContact CB-NE2 3.28Å; N347-H371 WeakPolarHBondContact CB-O 3.41Å; N348-H371 PolarHBondContact N-O 2.84Å; N348-H371 VanDerWaalsContact N-O 3.09Å; S369-H371 PolarHBondContact OG-CD2 3.07Å; S369-H371 PolarHBondContact OG-NE2 2.96Å; H371-N373 VanDerWaalsContact C-N 3.26Å; H371-N373 PolarHBondContact O-N 3.19Å; H371-N373 PolarHBondContact O-ND2 3.04Å; H371-E395 HydrophobicContact CB-CB 4.37Å; H371-E395 IonicContact CE1-OE2 3.9Å; H371-E395 PolarHBondContact CE1-OE2 2.66Å; H371-E395 IonicContact ND1-OE2 2.85Å; H371-E395 IonicContact NE2-OE2 2.65Å; H371-M399 HydrophobicContact CB-CG 4.1Å
372	S	96.4	Very high	93.7	Very high	63 Å²	63	34.5 Å²	34.5	44%	0.441	18%	0.183	S	C	.	.	S	Bend	trans	56.5	38.1	-178.1	-50.2	0	0	0	0	113.4	N348 S398	N348-S372 WeakPolarHBondContact CA-O 3.22Å; S372-S398 PolarHBondContact N-O 3.22Å
373	N	96.4	Very high	93.4	Very high	14 Å²	14	34.8 Å²	34.8	8%	0.075	18%	0.183	C	C	.	.	S	Bend	trans	-118.6	151.5	173.3	-82.5	-79.9	0	0	0	110.6	L346 N349 L351 I370 H371 L375	L346-N373 PolarHBondContact O-ND2 3.14Å; N349-N373 WeakPolarHBondContact CA-OD1 3.28Å; N349-N373 VanDerWaalsContact CB-OD1 3.29Å; N349-N373 WeakPolarHBondContact CB-OD1 3.31Å; N349-N373 PolarHBondContact N-OD1 2.84Å; N349-N373 PolarHBondContact O-OD1 2.76Å; L351-N373 HydrophobicContact CB-CB 4.44Å; L351-N373 WeakPolarHBondContact CB-OD1 3.22Å; L351-N373 PolarHBondContact N-OD1 3.02Å; I370-N373 PolarHBondContact O-ND2 3.08Å; H371-N373 VanDerWaalsContact C-N 3.26Å; H371-N373 PolarHBondContact O-N 3.19Å; H371-N373 PolarHBondContact O-ND2 3.04Å; N373-L375 HydrophobicContact CB-CD2 3.89Å; N373-L375 HydrophobicContact CB-CG 4.02Å; N373-L375 PolarHBondContact O-N 2.93Å
374	P	94.8	Very high	93.1	Very high	48 Å²	48	30.2 Å²	30.2	31%	0.312	15%	0.154	S	C	.	.			trans	-78	64	176.3	34.4	-37.1	0	0	0	111.9	N349 A350 L351 N352 A402	N349-P374 WeakPolarHBondContact O-CD 3.46Å; A350-P374 WeakPolarHBondContact O-CG 3.29Å; L351-P374 CarbonylContact O-C 3.5Å; L351-P374 WeakPolarHBondContact O-CD 3.23Å; N352-P374 PolarHBondContact ND2-O 2.74Å; P374-A402 HydrophobicContact CB-CB 4.07Å
375	L	94.2	Very high	92.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.4	-171.5	-61.6	174.7	0	0	0	113.1	N352 I370 N373 A402 L403 V412	N352-L375 CarbonylContact O-C 3.58Å; N352-L375 WeakPolarHBondContact O-CA 3.42Å; I370-L375 HydrophobicContact CD1-CD2 4.28Å; I370-L375 HydrophobicContact CG1-CD2 4.39Å; N373-L375 HydrophobicContact CB-CD2 3.89Å; N373-L375 HydrophobicContact CB-CG 4.02Å; N373-L375 PolarHBondContact O-N 2.93Å; L375-A402 PolarHBondContact O-N 2.87Å; L375-L403 PolarHBondContact O-N 3.04Å; L375-V412 HydrophobicContact CD1-CG2 3.94Å
376	R	91.7	Very high	91.5	Very high	26 Å²	26	27.5 Å²	27.5	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.1	168.6	-174.9	174.3	79.2	157.4	2.2	108.3	N352 D378 L403 L425 M452	N352-R376 HydrophobicContact CB-CB 4.46Å; N352-R376 PolarHBondContact O-N 2.81Å; R376-D378 HydrophobicContact CG-CB 4.17Å; R376-D378 IonicContact CZ-OD2 2.75Å; R376-D378 IonicContact NE-OD2 2.96Å; R376-D378 PolarHBondContact NE-OD2 3.35Å; R376-D378 IonicContact NH1-OD2 3.53Å; R376-D378 IonicContact NH2-OD2 3.22Å; R376-D378 PolarHBondContact NH2-OD2 2.75Å; R376-D378 PolarHBondContact O-N 3Å; R376-D378 VanDerWaalsContact O-N 3.09Å; R376-L403 HydrophobicContact CB-CB 4.13Å; R376-L403 HydrophobicContact CG-CB 3.98Å; R376-L425 PolarHBondContact NH1-O 3.05Å; R376-L425 PolarHBondContact NH2-O 3.47Å; R376-M452 PolarHBondContact NH2-O 3.4Å; R376-M452 VanDerWaalsContact NH2-O 3.12Å
377	C	91.4	Very high	90.3	Very high	17 Å²	17	27.4 Å²	27.4	12%	0.115	15%	0.152	C	C	.	.			trans	-83.2	78.5	-179.5	-68.6	0	0	0	0	111.2	I381 C401 L403 P404 V407 L415	C377-I381 HydrophobicContact CB-CD1 4.12Å; C377-I381 VanDerWaalsContact SG-CD1 3.58Å; C377-C401 HydrophobicContact CB-CB 3.81Å; C377-C401 WeakPolarHBondContact CB-SG 3.32Å; C377-C401 WeakPolarHBondContact SG-CA 3.2Å; C377-C401 WeakPolarHBondContact SG-CB 3.15Å; C377-C401 CovalentContact SG-SG 2.02Å; C377-C401 PolarHBondContact SG-SG 3.4Å; C377-L403 WeakPolarHBondContact CB-O 3.47Å; C377-L403 PolarHBondContact N-O 3.4Å; C377-P404 WeakPolarHBondContact O-CD 3.45Å; C377-V407 HydrophobicContact CB-CG2 4.08Å; C377-L415 HydrophobicContact CB-CD1 3.67Å
378	D	89	Confident	89.3	Confident	33 Å²	33	34 Å²	34	18%	0.176	18%	0.18	C	C	.	.	S	Bend	trans	-128.6	-158.7	-177.9	72.2	-10.7	0	0	0	111.6	R376 V380 C424	R376-D378 HydrophobicContact CG-CB 4.17Å; R376-D378 IonicContact CZ-OD2 2.75Å; R376-D378 IonicContact NE-OD2 2.96Å; R376-D378 PolarHBondContact NE-OD2 3.35Å; R376-D378 IonicContact NH1-OD2 3.53Å; R376-D378 IonicContact NH2-OD2 3.22Å; R376-D378 PolarHBondContact NH2-OD2 2.75Å; R376-D378 PolarHBondContact O-N 3Å; R376-D378 VanDerWaalsContact O-N 3.09Å; D378-V380 VanDerWaalsContact C-N 3.27Å; D378-V380 PolarHBondContact O-N 2.71Å; D378-V380 WeakPolarHBondContact OD1-CB 3.36Å; D378-V380 PolarHBondContact OD1-N 2.94Å; D378-C424 PolarHBondContact OD2-SG 2.96Å
379	C	88.9	Confident	88.5	Confident	18 Å²	18	36 Å²	36	12%	0.122	19%	0.193	C	C	.	.	S	Bend	trans	-64.8	-23.3	178	80.1	0	0	0	0	114.4	A421 C424 Q454	C379-A421 VanDerWaalsContact CB-O 3.32Å; C379-A421 WeakPolarHBondContact CB-O 3.48Å; C379-C424 HydrophobicContact CB-CB 3.82Å; C379-C424 WeakPolarHBondContact CB-SG 3.38Å; C379-C424 WeakPolarHBondContact SG-CB 2.99Å; C379-C424 PolarHBondContact SG-N 3.38Å; C379-C424 CovalentContact SG-SG 2.04Å; C379-C424 PolarHBondContact SG-SG 3.17Å; C379-Q454 VanDerWaalsContact SG-CB 3.56Å
380	V	90.8	Very high	87.9	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.055	23%	0.233	C	C	.	.	S	Bend	trans	-74.6	-39.6	-176.2	-175.5	0	0	0	0	111.4	A353 Y355 D378 W383 M452	A353-V380 HydrophobicContact CB-CB 4.08Å; A353-V380 HydrophobicContact CB-CG1 3.75Å; Y355-V380 HydrophobicContact CD1-CG1 3.73Å; Y355-V380 HydrophobicContact CE1-CG1 3.96Å; Y355-V380 HydrophobicContact CG-CG1 4.24Å; D378-V380 VanDerWaalsContact C-N 3.27Å; D378-V380 PolarHBondContact O-N 2.71Å; D378-V380 WeakPolarHBondContact OD1-CB 3.36Å; D378-V380 PolarHBondContact OD1-N 2.94Å; V380-W383 VanDerWaalsContact O-CD1 3.31Å; V380-M452 HydrophobicContact CG1-CE 4.29Å
381	I	89.8	Confident	87.7	Confident	5 Å²	5	43 Å²	43	3%	0.026	24%	0.239	C	C	.	.	S	Bend	trans	-92.9	4.9	-179.1	76.4	163.9	0	0	0	114.2	A353 C377 W383 M384 V412	A353-I381 HydrophobicContact CB-CG2 3.44Å; A353-I381 VanDerWaalsContact CB-CG2 3.44Å; C377-I381 HydrophobicContact CB-CD1 4.12Å; C377-I381 VanDerWaalsContact SG-CD1 3.58Å; I381-W383 PolarHBondContact O-N 3.39Å; I381-M384 HydrophobicContact CB-CE 4.14Å; I381-M384 HydrophobicContact CB-CG 4.36Å; I381-M384 HydrophobicContact CB-SD 3.93Å; I381-M384 HydrophobicContact CG2-CE 4Å; I381-M384 HydrophobicContact CG2-SD 4.28Å; I381-M384 WeakPolarHBondContact O-CB 3.5Å; I381-M384 PolarHBondContact O-N 3.32Å; I381-V412 HydrophobicContact CD1-CG1 3.86Å; I381-V412 HydrophobicContact CD1-CG2 4.36Å
382	Q	86	Confident	87.6	Confident	69 Å²	69	49.7 Å²	49.7	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-55.2	-26.9	-176.8	-164.6	-172.1	19.6	0	0	113.1	M384 S385 S386 S420	Q382-M384 VanDerWaalsContact C-N 3.28Å; Q382-M384 PolarHBondContact O-N 3.04Å; Q382-S385 PolarHBondContact O-N 2.98Å; Q382-S385 PolarHBondContact O-OG 2.91Å; Q382-S385 VanDerWaalsContact O-OG 3.09Å; Q382-S386 PolarHBondContact O-N 3.47Å; Q382-S420 VanDerWaalsContact NE2-CB 3.32Å; Q382-S420 PolarHBondContact NE2-OG 3.39Å
383	W	88.8	Confident	87.5	Confident	14 Å²	14	47.6 Å²	47.6	5%	0.053	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-29.3	174.2	72.8	-91.8	0	0	0	113.1	L354 Q356 V359 I368 V380 I381 S386 T389 F393	L354-W383 HydrophobicContact CB-CZ2 4.47Å; L354-W383 HydrophobicContact CD2-CZ2 4.25Å; L354-W383 PolarHBondContact O-NE1 3.3Å; Q356-W383 HydrophobicContact CB-CB 4.02Å; Q356-W383 HydrophobicContact CB-CG 3.79Å; Q356-W383 HydrophobicContact CG-CB 3.65Å; Q356-W383 HydrophobicContact CG-CD2 4.3Å; Q356-W383 HydrophobicContact CG-CG 3.74Å; V359-W383 HydrophobicContact CB-CH2 4.38Å; V359-W383 HydrophobicContact CG1-CH2 4.29Å; V359-W383 HydrophobicContact CG1-CZ3 4.3Å; V359-W383 HydrophobicContact CG2-CH2 3.73Å; V359-W383 HydrophobicContact CG2-CZ2 3.76Å; V359-W383 HydrophobicContact CG2-CZ3 4.49Å; I368-W383 HydrophobicContact CD1-CH2 4.3Å; V380-W383 VanDerWaalsContact O-CD1 3.31Å; I381-W383 PolarHBondContact O-N 3.39Å; W383-S386 VanDerWaalsContact O-CB 3.23Å; W383-S386 WeakPolarHBondContact O-CB 3.36Å; W383-S386 PolarHBondContact O-N 3.15Å; W383-T389 HydrophobicContact CE3-CG2 3.87Å; W383-T389 HydrophobicContact CZ3-CG2 4.38Å; W383-T389 WeakPolarHBondContact O-CG2 3.43Å; W383-F393 HydrophobicContact CE3-CZ 4.38Å; W383-F393 HydrophobicContact CH2-CE1 4.23Å; W383-F393 HydrophobicContact CH2-CZ 4.04Å; W383-F393 HydrophobicContact CZ3-CE1 4.3Å; W383-F393 AromaticContact CZ3-CZ 3.65Å; W383-F393 HydrophobicContact CZ3-CZ 3.65Å
384	M	89.4	Confident	87.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-74	-32.1	-179.5	-56.3	-179.9	-171.1	0	0	113	L354 I370 I381 Q382 S386 F393 V412 R413	L354-M384 HydrophobicContact CB-CE 3.75Å; I370-M384 HydrophobicContact CD1-CE 3.72Å; I370-M384 HydrophobicContact CG2-SD 4.39Å; I381-M384 HydrophobicContact CB-CE 4.14Å; I381-M384 HydrophobicContact CB-CG 4.36Å; I381-M384 HydrophobicContact CB-SD 3.93Å; I381-M384 HydrophobicContact CG2-CE 4Å; I381-M384 HydrophobicContact CG2-SD 4.28Å; I381-M384 WeakPolarHBondContact O-CB 3.5Å; I381-M384 PolarHBondContact O-N 3.32Å; Q382-M384 VanDerWaalsContact C-N 3.28Å; Q382-M384 PolarHBondContact O-N 3.04Å; M384-S386 VanDerWaalsContact C-N 3.34Å; M384-F393 HydrophobicContact CB-CE1 4.21Å; M384-F393 HydrophobicContact CB-CZ 3.96Å; M384-F393 HydrophobicContact CG-CE1 4.1Å; M384-F393 HydrophobicContact CG-CZ 4.08Å; M384-V412 HydrophobicContact CB-CG1 4.15Å; M384-R413 VanDerWaalsContact O-CD 3.26Å; M384-R413 WeakPolarHBondContact O-CD 3.47Å; M384-R413 PolarHBondContact O-NH1 3.27Å
385	S	80.9	Confident	87.3	Confident	19 Å²	19	52.6 Å²	52.6	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-81.1	-17.2	173.9	64.8	0	0	0	0	112.5	Q382 V412	Q382-S385 PolarHBondContact O-N 2.98Å; Q382-S385 PolarHBondContact O-OG 2.91Å; Q382-S385 VanDerWaalsContact O-OG 3.09Å; S385-V412 VanDerWaalsContact CB-O 3.28Å; S385-V412 WeakPolarHBondContact CB-O 3.28Å
386	S	76.7	Confident	87.1	Confident	21 Å²	21	55.2 Å²	55.2	15%	0.147	28%	0.283	C	S	.	.			trans	-60.6	139.5	177.2	-170	0	0	0	0	112.6	Q382 W383 M384 K388 R413	Q382-S386 PolarHBondContact O-N 3.47Å; W383-S386 VanDerWaalsContact O-CB 3.23Å; W383-S386 WeakPolarHBondContact O-CB 3.36Å; W383-S386 PolarHBondContact O-N 3.15Å; M384-S386 VanDerWaalsContact C-N 3.34Å; S386-K388 PolarHBondContact O-N 3.23Å; S386-K388 PolarHBondContact OG-N 3.38Å; S386-R413 PolarHBondContact O-NH1 2.94Å
387	N	71.4	Confident	87.1	Confident	140 Å²	140	60.1 Å²	60.1	75%	0.749	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	7.3	170.7	-71.6	-32.8	0	0	0	113.2	R413	N387-R413 PolarHBondContact OD1-NH2 2.76Å
388	K	73.9	Confident	87.2	Confident	193 Å²	193	61 Å²	61	84%	0.839	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-9	-178.6	-59.5	-177.2	-178.2	174.7	0	114.1	S386	S386-K388 PolarHBondContact O-N 3.23Å; S386-K388 PolarHBondContact OG-N 3.38Å
389	T	80.3	Confident	87.4	Confident	44 Å²	44	59.5 Å²	59.5	27%	0.27	31%	0.309	S	S	.	.			trans	-78.2	127.8	-178.9	54.6	0	0	0	0	111.5	W383 I391	W383-T389 HydrophobicContact CE3-CG2 3.87Å; W383-T389 HydrophobicContact CZ3-CG2 4.38Å; W383-T389 WeakPolarHBondContact O-CG2 3.43Å; T389-I391 VanDerWaalsContact C-N 3.26Å
390	S	83.9	Confident	87.7	Confident	122 Å²	122	63 Å²	63	85%	0.853	32%	0.322	S	S	*	.			trans	-79.2	-7.3	171	50.9	0	0	0	0	114
391	I	91	Very high	87.8	Confident	26 Å²	26	62.8 Å²	62.8	13%	0.133	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-79.7	134.6	-173.7	-58.6	162.8	0	0	0	110.3	V359 L365 I368 T389	V359-I391 HydrophobicContact CG1-CD1 3.19Å; L365-I391 HydrophobicContact CD2-CD1 4.3Å; I368-I391 HydrophobicContact CB-CG2 4.15Å; I368-I391 HydrophobicContact CG2-CG2 3.73Å; T389-I391 VanDerWaalsContact C-N 3.26Å
392	R	93.6	Very high	88.1	Confident	162 Å²	162	64 Å²	64	61%	0.611	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.3	173.8	179.2	-178.7	174.8	178.9	-3.8	110.3	R366 E367 I368	R366-R392 WeakPolarHBondContact O-CB 3.33Å; R366-R392 PolarHBondContact O-N 2.77Å; E367-R392 VanDerWaalsContact CA-O 3.25Å; E367-R392 WeakPolarHBondContact CA-O 3.46Å; E367-R392 HydrophobicContact CB-CB 4.33Å; I368-R392 PolarHBondContact N-O 3.35Å
393	F	93.7	Very high	88.2	Confident	19 Å²	19	63 Å²	63	8%	0.083	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.6	167.1	-68.3	-90.3	0	0	0	110.3	I368 W383 M384 P396 M399	I368-F393 HydrophobicContact CG2-CD1 3.57Å; I368-F393 HydrophobicContact CG2-CE1 3.64Å; I368-F393 HydrophobicContact CG2-CG 4.2Å; I368-F393 HydrophobicContact CG2-CZ 4.31Å; I368-F393 CarbonylContact O-C 3.09Å; I368-F393 WeakPolarHBondContact O-CA 3.4Å; W383-F393 HydrophobicContact CE3-CZ 4.38Å; W383-F393 HydrophobicContact CH2-CE1 4.23Å; W383-F393 HydrophobicContact CH2-CZ 4.04Å; W383-F393 HydrophobicContact CZ3-CE1 4.3Å; W383-F393 AromaticContact CZ3-CZ 3.65Å; W383-F393 HydrophobicContact CZ3-CZ 3.65Å; M384-F393 HydrophobicContact CB-CE1 4.21Å; M384-F393 HydrophobicContact CB-CZ 3.96Å; M384-F393 HydrophobicContact CG-CE1 4.1Å; M384-F393 HydrophobicContact CG-CZ 4.08Å; F393-P396 HydrophobicContact CB-CB 4.1Å; F393-M399 HydrophobicContact CB-CE 4.08Å; F393-M399 HydrophobicContact CB-SD 4.35Å; F393-M399 HydrophobicContact CD1-CE 3.84Å; F393-M399 HydrophobicContact CD1-SD 3.69Å; F393-M399 HydrophobicContact CE1-SD 4.4Å; F393-M399 HydrophobicContact CG-CE 3.96Å; F393-M399 HydrophobicContact CG-SD 4.28Å
394	M	94.3	Very high	88.3	Confident	58 Å²	58	64.8 Å²	64.8	29%	0.286	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.6	169.9	-63	-64.9	-88.1	0	0	109.5	M345 I368	M345-M394 HydrophobicContact CE-CG 4.16Å; I368-M394 PolarHBondContact O-N 3.16Å
395	E	93	Very high	88.3	Confident	108 Å²	108	69.6 Å²	69.6	51%	0.505	37%	0.371	S	S	.	.	S	Bend	trans	41.5	59.5	-171.3	-55.7	-163	175	0	0	114.9	H371 L397 S398	H371-E395 HydrophobicContact CB-CB 4.37Å; H371-E395 IonicContact CE1-OE2 3.9Å; H371-E395 PolarHBondContact CE1-OE2 2.66Å; H371-E395 IonicContact ND1-OE2 2.85Å; H371-E395 IonicContact NE2-OE2 2.65Å; E395-L397 PolarHBondContact O-N 2.91Å; E395-L397 VanDerWaalsContact O-N 3.09Å; E395-S398 WeakPolarHBondContact O-CA 3.4Å; E395-S398 WeakPolarHBondContact O-CB 3.49Å; E395-S398 PolarHBondContact O-N 2.97Å; E395-S398 PolarHBondContact OE2-OG 3.11Å
396	P	90.6	Very high	88.7	Confident	56 Å²	56	75.5 Å²	75.5	36%	0.364	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-65	-21.7	-172.9	26.6	-34.7	0	0	0	113.8	F393 S398 M399	F393-P396 HydrophobicContact CB-CB 4.1Å; P396-S398 VanDerWaalsContact C-N 3.3Å; P396-M399 HydrophobicContact CB-CE 4.03Å; P396-M399 PolarHBondContact O-N 3.01Å
397	L	90.8	Very high	89.3	Confident	129 Å²	129	75.9 Å²	75.9	68%	0.675	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-74.6	-19.9	173.6	-58.5	177.7	0	0	0	112.5	E395 M399 F400 H411	E395-L397 PolarHBondContact O-N 2.91Å; E395-L397 VanDerWaalsContact O-N 3.09Å; L397-M399 VanDerWaalsContact C-N 3.28Å; L397-F400 VanDerWaalsContact O-CZ 3.32Å; L397-F400 WeakPolarHBondContact O-CZ 3.43Å; L397-H411 PolarHBondContact O-CE1 2.95Å; L397-H411 PolarHBondContact O-ND1 3.01Å; L397-H411 VanDerWaalsContact O-ND1 3.13Å
398	S	94.1	Very high	90.4	Very high	36 Å²	36	78 Å²	78	25%	0.252	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-86.6	5.3	176.3	-57.2	0	0	0	0	112.7	S372 E395 P396 F400	S372-S398 PolarHBondContact N-O 3.22Å; E395-S398 WeakPolarHBondContact O-CA 3.4Å; E395-S398 WeakPolarHBondContact O-CB 3.49Å; E395-S398 PolarHBondContact O-N 2.97Å; E395-S398 PolarHBondContact OE2-OG 3.11Å; P396-S398 VanDerWaalsContact C-N 3.3Å; S398-F400 WeakPolarHBondContact O-CD2 3.5Å
399	M	93.6	Very high	91.2	Very high	1 Å²	1	71.1 Å²	71.1	1%	0.005	38%	0.379	C	S	.	.			trans	-94.9	106.1	178.2	-57.9	-166.5	-56.6	0	0	111.2	I370 H371 F393 P396 L397 H411 V412 R413	I370-M399 HydrophobicContact CG2-SD 3.75Å; H371-M399 HydrophobicContact CB-CG 4.1Å; F393-M399 HydrophobicContact CB-CE 4.08Å; F393-M399 HydrophobicContact CB-SD 4.35Å; F393-M399 HydrophobicContact CD1-CE 3.84Å; F393-M399 HydrophobicContact CD1-SD 3.69Å; F393-M399 HydrophobicContact CE1-SD 4.4Å; F393-M399 HydrophobicContact CG-CE 3.96Å; F393-M399 HydrophobicContact CG-SD 4.28Å; P396-M399 HydrophobicContact CB-CE 4.03Å; P396-M399 PolarHBondContact O-N 3.01Å; L397-M399 VanDerWaalsContact C-N 3.28Å; M399-H411 WeakPolarHBondContact O-CA 3.38Å; M399-V412 HydrophobicContact CB-CB 4.31Å; M399-V412 HydrophobicContact CB-CG2 4.06Å; M399-V412 PolarHBondContact O-N 3.25Å; M399-V412 VanDerWaalsContact O-N 3.11Å; M399-R413 HydrophobicContact CE-CG 3.92Å
400	F	94.6	Very high	91.8	Very high	93 Å²	93	73.2 Å²	73.2	41%	0.408	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-120.4	146.8	-177.4	-58.5	-84.2	0	0	0	112.3	L397 S398 Q410 H411	L397-F400 VanDerWaalsContact O-CZ 3.32Å; L397-F400 WeakPolarHBondContact O-CZ 3.43Å; S398-F400 WeakPolarHBondContact O-CD2 3.5Å; F400-Q410 WeakPolarHBondContact CA-O 3.18Å; F400-H411 AromaticContact CD1-ND1 3.85Å; F400-H411 AromaticContact CE1-CE1 3.16Å; F400-H411 WeakPolarHBondContact CE1-CE1 3.4Å; F400-H411 AromaticContact CE1-ND1 3.44Å; F400-H411 WeakPolarHBondContact CE1-ND1 3.47Å; F400-H411 AromaticContact CE1-NE2 3.82Å; F400-H411 AromaticContact CZ-CE1 3.58Å
401	C	94.3	Very high	92.2	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.02	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.2	169.7	-58	0	0	0	0	111	C377 V407 R408 G409 Q410	C377-C401 HydrophobicContact CB-CB 3.81Å; C377-C401 WeakPolarHBondContact CB-SG 3.32Å; C377-C401 WeakPolarHBondContact SG-CA 3.2Å; C377-C401 WeakPolarHBondContact SG-CB 3.15Å; C377-C401 CovalentContact SG-SG 2.02Å; C377-C401 PolarHBondContact SG-SG 3.4Å; C401-V407 HydrophobicContact CB-CG2 4.08Å; C401-V407 WeakPolarHBondContact CB-O 3.07Å; C401-R408 CarbonylContact O-C 3.54Å; C401-R408 WeakPolarHBondContact O-CA 3.14Å; C401-G409 PolarHBondContact O-N 3.49Å; C401-Q410 PolarHBondContact N-O 3.18Å
402	A	94.4	Very high	92.1	Very high	30 Å²	30	68.6 Å²	68.6	25%	0.248	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-31.6	165.7	0	0	0	0	0	111.8	P374 L375 R408	P374-A402 HydrophobicContact CB-CB 4.07Å; L375-A402 PolarHBondContact O-N 2.87Å; A402-R408 WeakPolarHBondContact O-CG 3.46Å
403	L	90.1	Very high	91.7	Very high	48 Å²	48	65 Å²	65	25%	0.251	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.7	-177.8	-71.3	167.6	0	0	0	110.5	L375 R376 C377 M427	L375-L403 PolarHBondContact O-N 3.04Å; R376-L403 HydrophobicContact CB-CB 4.13Å; R376-L403 HydrophobicContact CG-CB 3.98Å; C377-L403 WeakPolarHBondContact CB-O 3.47Å; C377-L403 PolarHBondContact N-O 3.4Å; L403-M427 HydrophobicContact CD1-CE 3.83Å; L403-M427 HydrophobicContact CD1-SD 4.17Å
404	P	89.5	Confident	91.2	Very high	53 Å²	53	70.5 Å²	70.5	34%	0.344	36%	0.362	S	S	.	.	S	Bend	cis	-68	174	-15	35.8	-40.1	0	0	0	111	C377 E406 V407 R408	C377-P404 WeakPolarHBondContact O-CD 3.45Å; P404-E406 VanDerWaalsContact CB-OE2 3.25Å; P404-E406 WeakPolarHBondContact CB-OE2 3.45Å; P404-E406 PolarHBondContact O-N 3.06Å; P404-V407 HydrophobicContact CG-CG2 4.05Å; P404-V407 PolarHBondContact O-N 2.91Å; P404-R408 PolarHBondContact O-N 3.18Å
405	V	89.3	Confident	90.4	Very high	100 Å²	100	69.8 Å²	69.8	61%	0.606	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21	-165.3	-64.3	0	0	0	0	113.8
406	E	89.6	Confident	88.8	Confident	143 Å²	143	71.4 Å²	71.4	67%	0.668	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.1	-179.1	-58.9	70.8	-155.1	0	0	112.5	P404	P404-E406 VanDerWaalsContact CB-OE2 3.25Å; P404-E406 WeakPolarHBondContact CB-OE2 3.45Å; P404-E406 PolarHBondContact O-N 3.06Å
407	V	89.9	Confident	87.3	Confident	30 Å²	30	75.3 Å²	75.3	18%	0.182	38%	0.384	C	S	.	.	S	Bend	trans	-110.3	8.5	179.7	-62.2	0	0	0	0	112.8	C377 C401 P404 G409 Q410 L415	C377-V407 HydrophobicContact CB-CG2 4.08Å; C401-V407 HydrophobicContact CB-CG2 4.08Å; C401-V407 WeakPolarHBondContact CB-O 3.07Å; P404-V407 HydrophobicContact CG-CG2 4.05Å; P404-V407 PolarHBondContact O-N 2.91Å; V407-G409 PolarHBondContact O-N 3.11Å; V407-Q410 VanDerWaalsContact O-CB 3.28Å; V407-Q410 WeakPolarHBondContact O-CB 3.48Å; V407-Q410 WeakPolarHBondContact O-CG 3.34Å; V407-Q410 PolarHBondContact O-N 3.09Å; V407-L415 HydrophobicContact CB-CD2 4.13Å; V407-L415 HydrophobicContact CG1-CD2 3.93Å
408	R	93.6	Very high	85.4	Confident	185 Å²	185	76.7 Å²	76.7	70%	0.698	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	127.3	-177.1	-177.4	174.4	178.6	-179.8	2.4	111.6	C401 A402 P404 Q410	C401-R408 CarbonylContact O-C 3.54Å; C401-R408 WeakPolarHBondContact O-CA 3.14Å; A402-R408 WeakPolarHBondContact O-CG 3.46Å; P404-R408 PolarHBondContact O-N 3.18Å; R408-Q410 VanDerWaalsContact C-N 3.35Å
409	G	92.2	Very high	83.3	Confident	48 Å²	48	82.6 Å²	82.6	50%	0.495	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-3.3	-177.1	0	0	0	0	0	115	C401 V407	C401-G409 PolarHBondContact O-N 3.49Å; V407-G409 PolarHBondContact O-N 3.11Å
410	Q	91.9	Very high	81.6	Confident	87 Å²	87	85.3 Å²	85.3	41%	0.407	44%	0.435	S	S	.	.			trans	-76.9	151.4	173	-61.3	-179.2	10.3	0	0	111.1	F400 C401 V407 R408	F400-Q410 WeakPolarHBondContact CA-O 3.18Å; C401-Q410 PolarHBondContact N-O 3.18Å; V407-Q410 VanDerWaalsContact O-CB 3.28Å; V407-Q410 WeakPolarHBondContact O-CB 3.48Å; V407-Q410 WeakPolarHBondContact O-CG 3.34Å; V407-Q410 PolarHBondContact O-N 3.09Å; R408-Q410 VanDerWaalsContact C-N 3.35Å
411	H	91.8	Very high	80.1	Confident	50 Å²	50	84 Å²	84	23%	0.231	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-73.4	132.2	175.2	-68	-75.1	0	0	0	110.9	L397 M399 F400 R413 E414	L397-H411 PolarHBondContact O-CE1 2.95Å; L397-H411 PolarHBondContact O-ND1 3.01Å; L397-H411 VanDerWaalsContact O-ND1 3.13Å; M399-H411 WeakPolarHBondContact O-CA 3.38Å; F400-H411 AromaticContact CD1-ND1 3.85Å; F400-H411 AromaticContact CE1-CE1 3.16Å; F400-H411 WeakPolarHBondContact CE1-CE1 3.4Å; F400-H411 AromaticContact CE1-ND1 3.44Å; F400-H411 WeakPolarHBondContact CE1-ND1 3.47Å; F400-H411 AromaticContact CE1-NE2 3.82Å; F400-H411 AromaticContact CZ-CE1 3.58Å; H411-R413 PolarHBondContact O-N 3.29Å; H411-R413 VanDerWaalsContact O-N 3.09Å; H411-E414 HydrophobicContact CB-CB 4.2Å; H411-E414 HydrophobicContact CB-CG 3.88Å; H411-E414 IonicContact CD2-OE1 3.38Å; H411-E414 IonicContact CD2-OE2 3.88Å; H411-E414 PolarHBondContact CD2-OE2 2.84Å; H411-E414 IonicContact CG-OE2 3.73Å; H411-E414 PolarHBondContact O-N 3Å
412	V	90.6	Very high	79.5	Confident	1 Å²	1	91.4 Å²	91.4	1%	0.006	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.9	-178.5	178.2	0	0	0	0	112.3	L375 I381 M384 S385 M399	L375-V412 HydrophobicContact CD1-CG2 3.94Å; I381-V412 HydrophobicContact CD1-CG1 3.86Å; I381-V412 HydrophobicContact CD1-CG2 4.36Å; M384-V412 HydrophobicContact CB-CG1 4.15Å; S385-V412 VanDerWaalsContact CB-O 3.28Å; S385-V412 WeakPolarHBondContact CB-O 3.28Å; M399-V412 HydrophobicContact CB-CB 4.31Å; M399-V412 HydrophobicContact CB-CG2 4.06Å; M399-V412 PolarHBondContact O-N 3.25Å; M399-V412 VanDerWaalsContact O-N 3.11Å
413	R	85.1	Confident	79.2	Confident	88 Å²	88	93.8 Å²	93.8	33%	0.332	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.8	-179.1	-66.7	-68.2	-60.5	166.5	9.2	114.6	M384 S386 N387 M399 H411	M384-R413 VanDerWaalsContact O-CD 3.26Å; M384-R413 WeakPolarHBondContact O-CD 3.47Å; M384-R413 PolarHBondContact O-NH1 3.27Å; S386-R413 PolarHBondContact O-NH1 2.94Å; N387-R413 PolarHBondContact OD1-NH2 2.76Å; M399-R413 HydrophobicContact CE-CG 3.92Å; H411-R413 PolarHBondContact O-N 3.29Å; H411-R413 VanDerWaalsContact O-N 3.09Å
414	E	81.7	Confident	79.2	Confident	133 Å²	133	92.4 Å²	92.4	62%	0.621	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-8.5	-176.9	-65.2	-177.1	163.8	0	0	113.2	H411 L416	H411-E414 HydrophobicContact CB-CB 4.2Å; H411-E414 HydrophobicContact CB-CG 3.88Å; H411-E414 IonicContact CD2-OE1 3.38Å; H411-E414 IonicContact CD2-OE2 3.88Å; H411-E414 PolarHBondContact CD2-OE2 2.84Å; H411-E414 IonicContact CG-OE2 3.73Å; H411-E414 PolarHBondContact O-N 3Å; E414-L416 PolarHBondContact O-N 2.91Å
415	L	78.1	Confident	79.2	Confident	43 Å²	43	94.4 Å²	94.4	23%	0.225	48%	0.483	C	S	.	.			trans	-61.9	108.2	175.3	-69.4	175	0	0	0	110.7	C377 V407	C377-L415 HydrophobicContact CB-CD1 3.67Å; V407-L415 HydrophobicContact CB-CD2 4.13Å; V407-L415 HydrophobicContact CG1-CD2 3.93Å
416	L	60.4	Low	79.4	Confident	143 Å²	143	90 Å²	90	75%	0.749	46%	0.456	S	S	*	.			trans	-60.1	138.6	174.8	-66.4	171.1	0	0	0	110.2	E414 Q418	E414-L416 PolarHBondContact O-N 2.91Å; L416-Q418 PolarHBondContact O-N 2.83Å
417	Q	57.7	Low	79.4	Confident	137 Å²	137	84.7 Å²	84.7	64%	0.64	43%	0.432	S	S	*	.			trans	-72.8	50.6	178.6	-65.5	179.1	-37.3	0	0	112.5	D419	Q417-D419 PolarHBondContact O-N 2.91Å
418	Q	51.3	Low	79.5	Confident	158 Å²	158	83.3 Å²	83.3	74%	0.738	42%	0.423	S	S	*	.	S	Bend	trans	-85.1	102	175.7	-108.8	178	-52.2	0	0	109.7	L416 S420	L416-Q418 PolarHBondContact O-N 2.83Å; Q418-S420 PolarHBondContact O-N 3.16Å
419	D	50.1	Low	79.3	Confident	161 Å²	161	74.5 Å²	74.5	86%	0.861	39%	0.39	S	S	*	.			trans	44.7	54	165.3	-58.7	-34	0	0	0	115.3	Q417 A421	Q417-D419 PolarHBondContact O-N 2.91Å; D419-A421 PolarHBondContact O-N 3.31Å
420	S	57	Low	78.7	Confident	58 Å²	58	77 Å²	77	41%	0.406	39%	0.389	S	S	.	.			trans	-69.4	121.9	171.4	-29.4	0	0	0	0	109.8	Q382 Q418 E422	Q382-S420 VanDerWaalsContact NE2-CB 3.32Å; Q382-S420 PolarHBondContact NE2-OG 3.39Å; Q418-S420 PolarHBondContact O-N 3.16Å; S420-E422 PolarHBondContact O-N 2.9Å
421	A	63.3	Low	78.2	Confident	64 Å²	64	76.1 Å²	76.1	53%	0.529	39%	0.387	S	S	.	.			trans	-60.4	130.4	166.3	0	0	0	0	0	109.6	C379 D419 Q423	C379-A421 VanDerWaalsContact CB-O 3.32Å; C379-A421 WeakPolarHBondContact CB-O 3.48Å; D419-A421 PolarHBondContact O-N 3.31Å; A421-Q423 WeakPolarHBondContact CB-O 3.23Å; A421-Q423 PolarHBondContact O-N 3.36Å; A421-Q423 VanDerWaalsContact O-N 3.09Å
422	E	81.3	Confident	77.7	Confident	159 Å²	159	73.8 Å²	73.8	74%	0.743	38%	0.376	S	S	*	.	S	Bend	trans	-65.6	-7.9	174.7	-62.2	-172.9	156.6	0	0	112.7	S420 Q454	S420-E422 PolarHBondContact O-N 2.9Å; E422-Q454 VanDerWaalsContact O-CG 3.24Å; E422-Q454 WeakPolarHBondContact O-CG 3.44Å
423	Q	89	Confident	77.5	Confident	81 Å²	81	74 Å²	74	38%	0.379	38%	0.377	S	S	.	.			trans	-124.9	142.7	-178.9	-53.9	-172.6	31.2	0	0	108.7	A421 Q454 P455 E507	A421-Q423 WeakPolarHBondContact CB-O 3.23Å; A421-Q423 PolarHBondContact O-N 3.36Å; A421-Q423 VanDerWaalsContact O-N 3.09Å; Q423-Q454 CarbonylContact C-O 3.58Å; Q423-Q454 WeakPolarHBondContact CA-O 3.24Å; Q423-P455 HydrophobicContact CG-CG 4.49Å; Q423-E507 HydrophobicContact CB-CG 3.78Å
424	C	89.8	Confident	77.6	Confident	19 Å²	19	73 Å²	73	13%	0.128	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158	178.9	59.9	0	0	0	0	112.6	D378 C379 Q454 N505	D378-C424 PolarHBondContact OD2-SG 2.96Å; C379-C424 HydrophobicContact CB-CB 3.82Å; C379-C424 WeakPolarHBondContact CB-SG 3.38Å; C379-C424 WeakPolarHBondContact SG-CB 2.99Å; C379-C424 PolarHBondContact SG-N 3.38Å; C379-C424 CovalentContact SG-SG 2.04Å; C379-C424 PolarHBondContact SG-SG 3.17Å; C424-Q454 PolarHBondContact N-O 3.14Å; C424-N505 PolarHBondContact O-ND2 2.88Å
425	L	90.2	Very high	77.8	Confident	94 Å²	94	71.6 Å²	71.6	49%	0.492	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	145.8	-174.9	-71.8	167.4	0	0	0	112.8	R376 E507	R376-L425 PolarHBondContact NH1-O 3.05Å; R376-L425 PolarHBondContact NH2-O 3.47Å; L425-E507 HydrophobicContact CD2-CB 4.05Å; L425-E507 WeakPolarHBondContact CD2-O 3.35Å; L425-E507 HydrophobicContact CG-CB 4.49Å
426	P	92.5	Very high	78.2	Confident	7 Å²	7	75.3 Å²	75.3	5%	0.045	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	149.9	170.6	27	-32.3	0	0	0	112.6	M452 P457 A503 N505 D510	P426-M452 WeakPolarHBondContact CA-O 3.33Å; P426-P457 HydrophobicContact CB-CB 4.11Å; P426-A503 HydrophobicContact CB-CB 4.07Å; P426-A503 WeakPolarHBondContact CG-O 3.45Å; P426-N505 WeakPolarHBondContact CD-OD1 3.31Å; P426-D510 HydrophobicContact CB-CB 4.48Å; P426-D510 HydrophobicContact CG-CB 4.34Å; P426-D510 VanDerWaalsContact O-CB 3.3Å; P426-D510 WeakPolarHBondContact O-CB 3.45Å
427	M	90.6	Very high	79.6	Confident	32 Å²	32	70.5 Å²	70.5	16%	0.158	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.1	165.8	160.8	163.6	-83.5	0	0	108.1	L403 A451 M452 D510	L403-M427 HydrophobicContact CD1-CE 3.83Å; L403-M427 HydrophobicContact CD1-SD 4.17Å; M427-A451 CarbonylContact O-C 3.53Å; M427-A451 VanDerWaalsContact O-CA 3.23Å; M427-A451 WeakPolarHBondContact O-CA 3.34Å; M427-M452 PolarHBondContact N-O 3.25Å; M427-M452 PolarHBondContact O-N 2.88Å; M427-D510 WeakPolarHBondContact CA-OD2 3.46Å
428	I	91.1	Very high	81	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.9	167.9	-58.8	166.2	0	0	0	107.2	F433 R450 A451 C501 A503 D510 R512	I428-F433 HydrophobicContact CG2-CE1 4.22Å; I428-R450 WeakPolarHBondContact CA-O 3.37Å; I428-A451 HydrophobicContact CG1-CB 4.15Å; I428-C501 HydrophobicContact CD1-CB 4.18Å; I428-A503 HydrophobicContact CD1-CB 4.25Å; I428-A503 HydrophobicContact CG1-CB 3.85Å; I428-D510 PolarHBondContact N-OD2 2.94Å; I428-R512 HydrophobicContact CB-CB 4.47Å; I428-R512 HydrophobicContact CB-CG 4.04Å; I428-R512 HydrophobicContact CD1-CB 4.11Å; I428-R512 HydrophobicContact CD1-CG 4.27Å; I428-R512 HydrophobicContact CG2-CB 4.24Å; I428-R512 HydrophobicContact CG2-CG 4.18Å
429	S	89.4	Confident	82.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.007	33%	0.334	C	S	.	.			trans	-63	140.9	-176.1	-175.6	0	0	0	0	111	S328 D431 S432 R450 R512	S328-S429 WeakPolarHBondContact CB-OG 3.32Å; S328-S429 PolarHBondContact O-OG 3.02Å; S328-S429 PolarHBondContact OG-OG 3.36Å; S429-D431 VanDerWaalsContact C-N 3.32Å; S429-D431 PolarHBondContact O-N 2.67Å; S429-S432 WeakPolarHBondContact CB-OG 3.2Å; S429-S432 PolarHBondContact O-N 2.83Å; S429-S432 PolarHBondContact O-OG 3.2Å; S429-R450 PolarHBondContact N-O 3.39Å; S429-R512 PolarHBondContact O-NH1 3.15Å
430	H	79.5	Confident	84.7	Confident	100 Å²	100	58.9 Å²	58.9	46%	0.463	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.4	-165.1	-74.1	78.6	0	0	0	113.6	R512	H430-R512 PolarHBondContact O-NH1 3.06Å; H430-R512 PolarHBondContact O-NH2 3.32Å
431	D	82.3	Confident	86.2	Confident	69 Å²	69	60.3 Å²	60.3	37%	0.369	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3	-177.4	-61.2	-69.4	0	0	0	113.8	V303 K326 S429 F433	V303-D431 WeakPolarHBondContact CG1-O 3.4Å; K326-D431 HydrophobicContact CB-CB 4.28Å; S429-D431 VanDerWaalsContact C-N 3.32Å; S429-D431 PolarHBondContact O-N 2.67Å; D431-F433 PolarHBondContact O-N 2.98Å; D431-F433 VanDerWaalsContact O-N 3.12Å
432	S	80.1	Confident	87.4	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	32%	0.315	C	S	.	.	S	Bend	trans	-51.9	-38.5	179.8	-41	0	0	0	0	113.6	S429 D448 R450	S429-S432 WeakPolarHBondContact CB-OG 3.2Å; S429-S432 PolarHBondContact O-N 2.83Å; S429-S432 PolarHBondContact O-OG 3.2Å; S432-D448 CarbonylContact C-O 3.58Å; S432-D448 WeakPolarHBondContact CB-O 3.49Å; S432-R450 PolarHBondContact OG-O 2.74Å
433	F	87.6	Confident	87.9	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.026	30%	0.299	C	S	.	.	S	Bend	trans	-152.8	152.2	174.5	56.6	-100.8	0	0	0	111.1	I428 D431 L447 C449 W461 C501 R512 T514	I428-F433 HydrophobicContact CG2-CE1 4.22Å; D431-F433 PolarHBondContact O-N 2.98Å; D431-F433 VanDerWaalsContact O-N 3.12Å; F433-L447 HydrophobicContact CB-CD2 4.47Å; F433-C449 HydrophobicContact CD1-CB 4.46Å; F433-C449 HydrophobicContact CE1-CB 4.07Å; F433-W461 AromaticContact CD1-CH2 3.96Å; F433-W461 HydrophobicContact CD1-CH2 3.96Å; F433-W461 HydrophobicContact CD1-CZ2 4.19Å; F433-W461 HydrophobicContact CD2-CH2 4.5Å; F433-W461 AromaticContact CE1-CH2 3.69Å; F433-W461 HydrophobicContact CE1-CH2 3.69Å; F433-W461 AromaticContact CE1-CZ2 4Å; F433-W461 HydrophobicContact CE1-CZ2 4Å; F433-W461 HydrophobicContact CE2-CH2 4.25Å; F433-W461 HydrophobicContact CG-CH2 4.35Å; F433-W461 AromaticContact CZ-CH2 3.83Å; F433-W461 HydrophobicContact CZ-CH2 3.83Å; F433-W461 HydrophobicContact CZ-CZ3 4.44Å; F433-C501 HydrophobicContact CE1-CB 3.98Å; F433-C501 HydrophobicContact CZ-CB 4.04Å; F433-R512 HydrophobicContact CE1-CB 4.47Å; F433-R512 HydrophobicContact CE2-CB 4.16Å; F433-R512 HydrophobicContact CZ-CB 3.59Å; F433-T514 HydrophobicContact CD2-CG2 4.31Å; F433-T514 HydrophobicContact CE2-CG2 4.41Å
434	P	87.1	Confident	88.1	Confident	67 Å²	67	55.6 Å²	55.6	44%	0.435	30%	0.304	S	S	.	.			trans	-71.4	144.8	179.9	29.6	-35.7	0	0	0	112	H436 L437 T514	P434-H436 PolarHBondContact O-N 3.09Å; P434-L437 HydrophobicContact CG-CD1 4.29Å; P434-T514 VanDerWaalsContact O-CB 3.26Å; P434-T514 WeakPolarHBondContact O-CB 3.43Å; P434-T514 PolarHBondContact O-OG1 3.21Å
435	N	84.8	Confident	88.2	Confident	103 Å²	103	55.6 Å²	55.6	55%	0.551	30%	0.304	S	S	*	.	S	Bend	trans	-65	-18.7	179.1	-65.6	-33.8	0	0	0	113.8	R512 T514 A515	N435-R512 PolarHBondContact OD1-NH2 3.28Å; N435-T514 WeakPolarHBondContact O-CA 3.22Å; N435-A515 PolarHBondContact O-N 3.35Å
436	H	87	Confident	88.3	Confident	120 Å²	120	53.8 Å²	53.8	56%	0.556	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	146.1	176.5	65.7	-75.6	0	0	0	109.5	P434 A515	P434-H436 PolarHBondContact O-N 3.09Å; H436-A515 WeakPolarHBondContact CA-O 3.46Å
437	L	89	Confident	88.3	Confident	42 Å²	42	53.6 Å²	53.6	22%	0.22	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	127.7	-179.8	-167.6	58.5	0	0	0	110	P434 L439 V445 L447 A515 I516 R517	P434-L437 HydrophobicContact CG-CD1 4.29Å; L437-L439 HydrophobicContact CD1-CD2 4.41Å; L437-L439 HydrophobicContact CD2-CD1 3.99Å; L437-L439 HydrophobicContact CD2-CD2 4.05Å; L437-L439 HydrophobicContact CD2-CG 4.2Å; L437-L439 HydrophobicContact CG-CD1 4.22Å; L437-L439 HydrophobicContact CG-CD2 3.89Å; L437-L439 HydrophobicContact CG-CG 3.93Å; L437-V445 HydrophobicContact CD2-CG2 3.67Å; L437-L447 HydrophobicContact CD2-CD2 4.17Å; L437-A515 PolarHBondContact N-O 3.24Å; L437-I516 WeakPolarHBondContact O-CA 3.46Å; L437-R517 PolarHBondContact O-N 3.33Å
438	N	88.3	Confident	88.4	Confident	98 Å²	98	52.4 Å²	52.4	52%	0.524	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.8	174.3	-59	-40	0	0	0	107.9	R517	N438-R517 WeakPolarHBondContact CA-O 3.26Å
439	L	89.4	Confident	88.5	Confident	21 Å²	21	52.3 Å²	52.3	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.2	-175.6	-61.9	173.9	0	0	0	110.8	L437 M443 V445 I491 I516 R517 V518 N519	L437-L439 HydrophobicContact CD1-CD2 4.41Å; L437-L439 HydrophobicContact CD2-CD1 3.99Å; L437-L439 HydrophobicContact CD2-CD2 4.05Å; L437-L439 HydrophobicContact CD2-CG 4.2Å; L437-L439 HydrophobicContact CG-CD1 4.22Å; L437-L439 HydrophobicContact CG-CD2 3.89Å; L437-L439 HydrophobicContact CG-CG 3.93Å; L439-M443 HydrophobicContact CB-SD 4.33Å; L439-M443 HydrophobicContact CD2-SD 4.15Å; L439-V445 HydrophobicContact CD1-CB 3.95Å; L439-V445 HydrophobicContact CD1-CG1 4.01Å; L439-V445 HydrophobicContact CD1-CG2 4.15Å; L439-I491 HydrophobicContact CD1-CD1 3.41Å; L439-I491 VanDerWaalsContact CD1-CD1 3.41Å; L439-I516 HydrophobicContact CD1-CG2 3.9Å; L439-R517 PolarHBondContact N-O 3.22Å; L439-V518 CarbonylContact O-C 3.52Å; L439-V518 VanDerWaalsContact O-CA 3.29Å; L439-V518 WeakPolarHBondContact O-CA 3.47Å; L439-N519 PolarHBondContact O-N 2.82Å
440	D	88.6	Confident	88.6	Confident	93 Å²	93	52.3 Å²	52.3	50%	0.497	29%	0.287	S	S	.	.			trans	-94.9	159.5	173.2	-59.6	-48.9	0	0	0	111.6	G442 M443	D440-G442 PolarHBondContact O-N 2.86Å; D440-M443 HydrophobicContact CB-CE 3.79Å; D440-M443 HydrophobicContact CB-CG 4.38Å; D440-M443 HydrophobicContact CB-SD 4.05Å; D440-M443 PolarHBondContact N-SD 3.09Å; D440-M443 VanDerWaalsContact N-SD 3.36Å; D440-M443 WeakPolarHBondContact O-CB 3.23Å; D440-M443 WeakPolarHBondContact O-CG 3.35Å; D440-M443 PolarHBondContact O-N 3.27Å; D440-M443 WeakPolarHBondContact OD2-CE 3.48Å
441	I	89.1	Confident	89.2	Confident	89 Å²	89	47.7 Å²	47.7	46%	0.456	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	134.4	-179.1	-59.9	170.4	0	0	0	109.7	I491 V493 V518	I441-I491 CarbonylContact C-O 3.17Å; I441-I491 WeakPolarHBondContact CA-O 3.46Å; I441-V493 HydrophobicContact CD1-CG2 3.81Å; I441-V493 HydrophobicContact CG1-CG2 4.23Å; I441-V518 HydrophobicContact CG1-CG1 3.76Å
442	G	88.8	Confident	89.7	Confident	44 Å²	44	44.7 Å²	44.7	45%	0.454	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-9.3	179.7	0	0	0	0	0	115	D440 I491	D440-G442 PolarHBondContact O-N 2.86Å; G442-I491 PolarHBondContact N-O 3.37Å
443	M	91.5	Very high	90.2	Very high	80 Å²	80	44.7 Å²	44.7	39%	0.394	25%	0.25	S	C	.	.			trans	-64.4	153.7	174.5	-70.3	-177.4	170.5	0	0	112.1	L439 D440 Q490 I491	L439-M443 HydrophobicContact CB-SD 4.33Å; L439-M443 HydrophobicContact CD2-SD 4.15Å; D440-M443 HydrophobicContact CB-CE 3.79Å; D440-M443 HydrophobicContact CB-CG 4.38Å; D440-M443 HydrophobicContact CB-SD 4.05Å; D440-M443 PolarHBondContact N-SD 3.09Å; D440-M443 VanDerWaalsContact N-SD 3.36Å; D440-M443 WeakPolarHBondContact O-CB 3.23Å; D440-M443 WeakPolarHBondContact O-CG 3.35Å; D440-M443 PolarHBondContact O-N 3.27Å; D440-M443 WeakPolarHBondContact OD2-CE 3.48Å; M443-Q490 PolarHBondContact O-N 2.9Å; M443-I491 WeakPolarHBondContact O-CB 3.22Å; M443-I491 PolarHBondContact O-N 3.17Å
444	T	93.4	Very high	90.4	Very high	80 Å²	80	48.7 Å²	48.7	49%	0.491	27%	0.269	S	S	.	.			trans	-110.1	134.1	165.2	-65.2	0	0	0	0	107.9	R487 I488	T444-R487 HydrophobicContact CG2-CG 3.92Å; T444-I488 WeakPolarHBondContact CA-O 3.39Å
445	V	92	Very high	90.7	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.115	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.2	178.9	75.4	0	0	0	0	110.7	L437 L439 L447 R487 I488 I491	L437-V445 HydrophobicContact CD2-CG2 3.67Å; L439-V445 HydrophobicContact CD1-CB 3.95Å; L439-V445 HydrophobicContact CD1-CG1 4.01Å; L439-V445 HydrophobicContact CD1-CG2 4.15Å; V445-L447 HydrophobicContact CG1-CG 4.48Å; V445-L447 HydrophobicContact CG2-CD2 4.38Å; V445-R487 CarbonylContact O-C 3.59Å; V445-R487 WeakPolarHBondContact O-CA 3.26Å; V445-I488 HydrophobicContact CG1-CB 4.03Å; V445-I488 HydrophobicContact CG1-CD1 4.15Å; V445-I488 HydrophobicContact CG1-CG1 4.19Å; V445-I488 PolarHBondContact N-O 2.65Å; V445-I488 PolarHBondContact O-N 2.86Å; V445-I491 HydrophobicContact CB-CD1 4.11Å; V445-I491 HydrophobicContact CG1-CD1 3.59Å
446	D	92.1	Very high	91	Very high	57 Å²	57	47.7 Å²	47.7	31%	0.305	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.5	169.6	-69.7	-8.4	0	0	0	108.5	T485 R487	D446-T485 HydrophobicContact CB-CG2 3.88Å; D446-R487 VanDerWaalsContact OD1-CB 3.24Å; D446-R487 WeakPolarHBondContact OD1-CB 3.12Å; D446-R487 VanDerWaalsContact OD1-CG 3.29Å; D446-R487 WeakPolarHBondContact OD1-CG 3.48Å; D446-R487 IonicContact OD1-CZ 2.67Å; D446-R487 IonicContact OD1-NE 3.58Å; D446-R487 PolarHBondContact OD1-NE 2.8Å; D446-R487 IonicContact OD1-NH2 2.66Å; D446-R487 PolarHBondContact OD1-NH2 3.29Å; D446-R487 IonicContact OD2-CZ 2.64Å; D446-R487 IonicContact OD2-NE 3.42Å; D446-R487 IonicContact OD2-NH2 3.57Å; D446-R487 PolarHBondContact OD2-NH2 3.45Å
447	L	93	Very high	91.2	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	97.8	177.3	-64.8	173.1	0	0	0	109	F433 L437 V445 C449 W461 T485 L486 I488 T514 I516	F433-L447 HydrophobicContact CB-CD2 4.47Å; L437-L447 HydrophobicContact CD2-CD2 4.17Å; V445-L447 HydrophobicContact CG1-CG 4.48Å; V445-L447 HydrophobicContact CG2-CD2 4.38Å; L447-C449 PolarHBondContact O-N 2.83Å; L447-W461 HydrophobicContact CB-CH2 3.82Å; L447-W461 HydrophobicContact CB-CZ2 3.77Å; L447-W461 HydrophobicContact CD1-CH2 4.12Å; L447-W461 HydrophobicContact CD1-CZ3 4.31Å; L447-W461 WeakPolarHBondContact O-CZ2 3.44Å; L447-T485 CarbonylContact O-C 3.52Å; L447-T485 WeakPolarHBondContact O-CA 3.47Å; L447-L486 HydrophobicContact CB-CB 4.42Å; L447-L486 PolarHBondContact N-O 3.35Å; L447-L486 PolarHBondContact O-N 3.44Å; L447-I488 HydrophobicContact CD1-CD1 4.29Å; L447-T514 HydrophobicContact CD1-CG2 3.87Å; L447-T514 HydrophobicContact CD2-CG2 4.41Å; L447-I516 HydrophobicContact CD1-CD1 4.05Å
448	D	92.2	Very high	91.4	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.032	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	101.6	-178.3	-69.1	-65.9	0	0	0	110.9	K279 S432 R450 T485	K279-D448 IonicContact NZ-OD1 2.94Å; K279-D448 PolarHBondContact NZ-OD1 2.87Å; K279-D448 IonicContact NZ-OD2 3.98Å; K279-D448 PolarHBondContact NZ-OD2 3.25Å; S432-D448 CarbonylContact C-O 3.58Å; S432-D448 WeakPolarHBondContact CB-O 3.49Å; D448-R450 IonicContact OD1-CZ 3.4Å; D448-R450 IonicContact OD1-NH1 3.18Å; D448-R450 PolarHBondContact OD1-NH1 3.12Å; D448-R450 IonicContact OD1-NH2 3.91Å; D448-R450 PolarHBondContact OD1-NH2 3.14Å; D448-T485 WeakPolarHBondContact OD1-CB 3.47Å; D448-T485 WeakPolarHBondContact OD1-CG2 3.23Å; D448-T485 PolarHBondContact OD1-OG1 2.98Å
449	C	93.1	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.			trans	-88.7	108.1	169.8	-169.7	0	0	0	0	110.3	F433 L447 I459 W461 G484 C501	F433-C449 HydrophobicContact CD1-CB 4.46Å; F433-C449 HydrophobicContact CE1-CB 4.07Å; L447-C449 PolarHBondContact O-N 2.83Å; C449-I459 HydrophobicContact CB-CG2 4.15Å; C449-W461 HydrophobicContact CB-CZ2 3.67Å; C449-G484 WeakPolarHBondContact CB-O 3.31Å; C449-G484 PolarHBondContact N-O 2.95Å; C449-C501 HydrophobicContact CB-CB 3.77Å; C449-C501 WeakPolarHBondContact CB-SG 3.25Å; C449-C501 WeakPolarHBondContact SG-CB 3.44Å; C449-C501 CovalentContact SG-SG 2.02Å; C449-C501 PolarHBondContact SG-SG 2.86Å
450	R	92.6	Very high	91.7	Very high	1 Å²	1	45 Å²	45	0%	0.004	25%	0.246	C	C	.	.			trans	-108.3	123.4	178.9	-60	-60.3	-172.7	-104.3	-10.9	110	D306 Y329 I428 S429 S432 D448 E483 T485	D306-R450 IonicContact OD1-CZ 3.38Å; D306-R450 IonicContact OD1-NE 3.35Å; D306-R450 PolarHBondContact OD1-NE 3.14Å; D306-R450 IonicContact OD1-NH2 2.88Å; D306-R450 PolarHBondContact OD1-NH2 3.08Å; D306-R450 IonicContact OD2-CZ 2.68Å; D306-R450 IonicContact OD2-NH2 2.78Å; D306-R450 PolarHBondContact OD2-NH2 3.22Å; Y329-R450 HydrophobicContact CD1-CB 3.85Å; Y329-R450 HydrophobicContact CD1-CG 3.82Å; Y329-R450 HydrophobicContact CD2-CB 3.72Å; Y329-R450 HydrophobicContact CE1-CB 4.26Å; Y329-R450 HydrophobicContact CE1-CG 4.26Å; Y329-R450 HydrophobicContact CE2-CB 4.13Å; Y329-R450 HydrophobicContact CG-CB 3.55Å; Y329-R450 HydrophobicContact CG-CG 4Å; I428-R450 WeakPolarHBondContact CA-O 3.37Å; S429-R450 PolarHBondContact N-O 3.39Å; S432-R450 PolarHBondContact OG-O 2.74Å; D448-R450 IonicContact OD1-CZ 3.4Å; D448-R450 IonicContact OD1-NH1 3.18Å; D448-R450 PolarHBondContact OD1-NH1 3.12Å; D448-R450 IonicContact OD1-NH2 3.91Å; D448-R450 PolarHBondContact OD1-NH2 3.14Å; R450-E483 PolarHBondContact NH1-O 2.95Å; R450-T485 PolarHBondContact NH1-OG1 2.98Å
451	A	92.1	Very high	91.9	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.2	-176.6	0	0	0	0	0	112.8	Y329 M427 I428 P457 I459 A503	Y329-A451 WeakPolarHBondContact CE2-O 3.24Å; M427-A451 CarbonylContact O-C 3.53Å; M427-A451 VanDerWaalsContact O-CA 3.23Å; M427-A451 WeakPolarHBondContact O-CA 3.34Å; I428-A451 HydrophobicContact CG1-CB 4.15Å; A451-P457 HydrophobicContact CB-CG 3.97Å; A451-I459 HydrophobicContact CB-CD1 4.05Å; A451-A503 HydrophobicContact CB-CB 3.5Å
452	M	91.7	Very high	91.7	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.8	179.3	-57.8	-169.9	82.9	0	0	112	Y329 A353 Y355 R376 V380 P426 M427	Y329-M452 HydrophobicContact CD2-CG 3.82Å; Y329-M452 HydrophobicContact CD2-SD 4.23Å; Y329-M452 HydrophobicContact CE2-CG 3.77Å; A353-M452 HydrophobicContact CB-CE 3.73Å; A353-M452 HydrophobicContact CB-SD 3.96Å; Y355-M452 HydrophobicContact CD2-CE 3.69Å; Y355-M452 HydrophobicContact CE2-CE 3.53Å; Y355-M452 HydrophobicContact CE2-CG 4.4Å; Y355-M452 HydrophobicContact CG-CE 4.42Å; Y355-M452 WeakPolarHBondContact OH-CA 3.4Å; R376-M452 PolarHBondContact NH2-O 3.4Å; R376-M452 VanDerWaalsContact NH2-O 3.12Å; V380-M452 HydrophobicContact CG1-CE 4.29Å; P426-M452 WeakPolarHBondContact CA-O 3.33Å; M427-M452 PolarHBondContact N-O 3.25Å; M427-M452 PolarHBondContact O-N 2.88Å
453	S	91.8	Very high	91.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	170.2	176.8	62.3	0	0	0	0	112	Y355 P455 P457 N505	Y355-S453 WeakPolarHBondContact CE1-O 3.29Å; Y355-S453 PolarHBondContact OH-N 2.98Å; Y355-S453 PolarHBondContact OH-O 3.31Å; S453-P455 CarbonylContact C-O 3.57Å; S453-P455 WeakPolarHBondContact CB-O 3.4Å; S453-P455 PolarHBondContact OG-O 3.27Å; S453-P457 WeakPolarHBondContact OG-CB 3.41Å; S453-P457 WeakPolarHBondContact OG-CD 3.4Å; S453-P457 VanDerWaalsContact OG-CG 3.31Å; S453-P457 WeakPolarHBondContact OG-CG 3.42Å; S453-N505 WeakPolarHBondContact CB-ND2 3.36Å
454	Q	91.8	Very high	90.9	Very high	91 Å²	91	33.7 Å²	33.7	43%	0.425	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.7	162.2	178.9	69.3	-5	0	0	107.6	C379 E422 Q423 C424	C379-Q454 VanDerWaalsContact SG-CB 3.56Å; E422-Q454 VanDerWaalsContact O-CG 3.24Å; E422-Q454 WeakPolarHBondContact O-CG 3.44Å; Q423-Q454 CarbonylContact C-O 3.58Å; Q423-Q454 WeakPolarHBondContact CA-O 3.24Å; C424-Q454 PolarHBondContact N-O 3.14Å
455	P	92.6	Very high	89.8	Confident	50 Å²	50	33.8 Å²	33.8	33%	0.325	18%	0.182	S	C	.	.	S	Bend	cis	-56.4	163.3	-12.7	-19.8	33.5	0	0	0	112.3	Q423 S453 N505	Q423-P455 HydrophobicContact CG-CG 4.49Å; S453-P455 CarbonylContact C-O 3.57Å; S453-P455 WeakPolarHBondContact CB-O 3.4Å; S453-P455 PolarHBondContact OG-O 3.27Å; P455-N505 PolarHBondContact O-ND2 3.26Å
456	E	90.5	Very high	88.8	Confident	99 Å²	99	34 Å²	34	46%	0.463	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-55.2	143.6	177.7	-171.6	166.7	-168.1	0	0	111.6	R332	R332-E456 WeakPolarHBondContact CD-OE2 3.11Å; R332-E456 IonicContact CZ-OE2 3.63Å; R332-E456 IonicContact NE-OE2 2.67Å; R332-E456 IonicContact NH1-OE2 2.71Å; R332-E456 PolarHBondContact NH1-OE2 3.14Å
457	P	92.4	Very high	88.1	Confident	15 Å²	15	36.3 Å²	36.3	10%	0.097	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-96	139.1	-170.9	34.1	-24.8	0	0	0	112.1	P426 A451 S453 I459 A503 Q504 N505	P426-P457 HydrophobicContact CB-CB 4.11Å; A451-P457 HydrophobicContact CB-CG 3.97Å; S453-P457 WeakPolarHBondContact OG-CB 3.41Å; S453-P457 WeakPolarHBondContact OG-CD 3.4Å; S453-P457 VanDerWaalsContact OG-CG 3.31Å; S453-P457 WeakPolarHBondContact OG-CG 3.42Å; P457-I459 PolarHBondContact O-N 3.03Å; P457-A503 HydrophobicContact CB-CB 4.19Å; P457-A503 HydrophobicContact CG-CB 4.46Å; P457-Q504 CarbonylContact C-O 3.53Å; P457-Q504 VanDerWaalsContact CA-O 3.29Å; P457-Q504 WeakPolarHBondContact CA-O 3.3Å; P457-N505 HydrophobicContact CB-CB 4.49Å
458	D	91.7	Very high	87.7	Confident	129 Å²	129	40.9 Å²	40.9	69%	0.69	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	119	165.3	-70.2	-40.8	0	0	0	109.1	Q504	D458-Q504 PolarHBondContact N-O 2.93Å; D458-Q504 PolarHBondContact O-N 3.22Å
459	I	93.3	Very high	87.5	Confident	39 Å²	39	40.8 Å²	40.8	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.5	178.5	-57.7	-179.7	0	0	0	110	C449 A451 P457 V502 A503	C449-I459 HydrophobicContact CB-CG2 4.15Å; A451-I459 HydrophobicContact CB-CD1 4.05Å; P457-I459 PolarHBondContact O-N 3.03Å; I459-V502 WeakPolarHBondContact CA-O 3.48Å; I459-A503 HydrophobicContact CG1-CB 4.29Å
460	Y	91.4	Very high	87.2	Confident	40 Å²	40	44.4 Å²	44.4	16%	0.157	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.3	171.1	63.3	-92	0	0	0	111.3	V462 K468 V469 V502 Q504	Y460-V462 HydrophobicContact CD2-CG2 4.2Å; Y460-V462 HydrophobicContact CE2-CG2 4.01Å; Y460-K468 HydrophobicContact CD2-CD 4Å; Y460-K468 HydrophobicContact CD2-CG 3.63Å; Y460-K468 HydrophobicContact CE2-CD 4.23Å; Y460-K468 HydrophobicContact CE2-CG 4.14Å; Y460-K468 HydrophobicContact CG-CD 4.33Å; Y460-K468 HydrophobicContact CG-CG 4.2Å; Y460-V469 WeakPolarHBondContact CB-O 3.25Å; Y460-V502 HydrophobicContact CD1-CB 4.32Å; Y460-V502 HydrophobicContact CD2-CB 4.04Å; Y460-V502 HydrophobicContact CD2-CG2 4.29Å; Y460-V502 HydrophobicContact CE1-CB 3.91Å; Y460-V502 HydrophobicContact CE1-CG1 3.78Å; Y460-V502 HydrophobicContact CE2-CB 3.62Å; Y460-V502 HydrophobicContact CE2-CG1 4.1Å; Y460-V502 HydrophobicContact CE2-CG2 3.7Å; Y460-V502 HydrophobicContact CG-CB 4.4Å; Y460-V502 PolarHBondContact N-O 3.1Å; Y460-V502 PolarHBondContact O-N 3.34Å; Y460-V502 WeakPolarHBondContact OH-CG1 3.47Å; Y460-Q504 HydrophobicContact CE1-CB 4.41Å
461	W	92.1	Very high	86.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.2	177.9	-76.8	82.4	0	0	0	111.6	F433 L447 C449 K468 V469 G484 L486 T500 C501 T514	F433-W461 AromaticContact CD1-CH2 3.96Å; F433-W461 HydrophobicContact CD1-CH2 3.96Å; F433-W461 HydrophobicContact CD1-CZ2 4.19Å; F433-W461 HydrophobicContact CD2-CH2 4.5Å; F433-W461 AromaticContact CE1-CH2 3.69Å; F433-W461 HydrophobicContact CE1-CH2 3.69Å; F433-W461 AromaticContact CE1-CZ2 4Å; F433-W461 HydrophobicContact CE1-CZ2 4Å; F433-W461 HydrophobicContact CE2-CH2 4.25Å; F433-W461 HydrophobicContact CG-CH2 4.35Å; F433-W461 AromaticContact CZ-CH2 3.83Å; F433-W461 HydrophobicContact CZ-CH2 3.83Å; F433-W461 HydrophobicContact CZ-CZ3 4.44Å; L447-W461 HydrophobicContact CB-CH2 3.82Å; L447-W461 HydrophobicContact CB-CZ2 3.77Å; L447-W461 HydrophobicContact CD1-CH2 4.12Å; L447-W461 HydrophobicContact CD1-CZ3 4.31Å; L447-W461 WeakPolarHBondContact O-CZ2 3.44Å; C449-W461 HydrophobicContact CB-CZ2 3.67Å; W461-K468 CarbonylContact O-C 3.54Å; W461-K468 WeakPolarHBondContact O-CA 3.29Å; W461-V469 HydrophobicContact CB-CB 4.46Å; W461-V469 PolarHBondContact N-O 2.88Å; W461-V469 VanDerWaalsContact N-O 3.11Å; W461-V469 PolarHBondContact O-N 3.02Å; W461-G484 PolarHBondContact NE1-O 3.44Å; W461-L486 HydrophobicContact CB-CD1 4.46Å; W461-L486 HydrophobicContact CB-CD2 3.95Å; W461-L486 HydrophobicContact CD2-CB 3.87Å; W461-L486 HydrophobicContact CD2-CD2 3.82Å; W461-L486 HydrophobicContact CD2-CG 4.46Å; W461-L486 HydrophobicContact CE3-CD2 3.98Å; W461-L486 HydrophobicContact CG-CB 3.8Å; W461-L486 HydrophobicContact CG-CD2 3.85Å; W461-L486 HydrophobicContact CG-CG 4.28Å; W461-L486 HydrophobicContact CZ2-CB 4.31Å; W461-T500 CarbonylContact C-O 3.26Å; W461-T500 WeakPolarHBondContact CA-O 3.49Å; W461-T500 VanDerWaalsContact CE3-C 3.48Å; W461-C501 HydrophobicContact CD2-CB 3.89Å; W461-C501 HydrophobicContact CE3-CB 3.97Å; W461-C501 HydrophobicContact CH2-CB 3.89Å; W461-C501 HydrophobicContact CZ2-CB 3.8Å; W461-C501 HydrophobicContact CZ3-CB 3.96Å; W461-T514 HydrophobicContact CH2-CG2 4.48Å; W461-T514 HydrophobicContact CZ3-CG2 4.26Å
462	V	86.3	Confident	86.4	Confident	31 Å²	31	55.8 Å²	55.8	19%	0.188	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.8	172.2	-174	0	0	0	0	108.3	Y460 T500 V502	Y460-V462 HydrophobicContact CD2-CG2 4.2Å; Y460-V462 HydrophobicContact CE2-CG2 4.01Å; V462-T500 PolarHBondContact N-O 3.12Å; V462-T500 PolarHBondContact O-N 3.19Å; V462-V502 HydrophobicContact CG2-CG2 4.34Å
463	T	85.1	Confident	85.6	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	31%	0.311	C	S	.	.			trans	-71.8	162.3	177.2	57.3	0	0	0	0	112	V465 G466 N467 V469 Y478 Y499	T463-V465 PolarHBondContact O-N 3.47Å; T463-V465 WeakPolarHBondContact OG1-CG2 3.44Å; T463-G466 PolarHBondContact O-N 3.22Å; T463-N467 PolarHBondContact N-O 2.84Å; T463-N467 WeakPolarHBondContact OG1-CA 3.45Å; T463-N467 WeakPolarHBondContact OG1-CB 3.36Å; T463-N467 PolarHBondContact OG1-N 3.29Å; T463-N467 PolarHBondContact OG1-O 2.89Å; T463-V469 HydrophobicContact CG2-CG2 3.83Å; T463-Y478 HydrophobicContact CG2-CE1 4.22Å; T463-Y478 HydrophobicContact CG2-CE2 4.26Å; T463-Y499 HydrophobicContact CG2-CE1 4.1Å
464	P	77.8	Confident	84.5	Confident	37 Å²	37	65.7 Å²	65.7	24%	0.24	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.4	176.9	-27.1	34	0	0	0	114.3	Y499	P464-Y499 HydrophobicContact CG-CD2 3.89Å; P464-Y499 HydrophobicContact CG-CE1 4.39Å; P464-Y499 HydrophobicContact CG-CE2 3.52Å; P464-Y499 HydrophobicContact CG-CG 4.47Å
465	V	71.4	Confident	84	Confident	82 Å²	82	64.2 Å²	64.2	50%	0.497	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.3	178	-61.9	0	0	0	0	114.3	T463 N467	T463-V465 PolarHBondContact O-N 3.47Å; T463-V465 WeakPolarHBondContact OG1-CG2 3.44Å; V465-N467 HydrophobicContact CG2-CB 4.46Å
466	G	70	Confident	83.5	Confident	24 Å²	24	69.8 Å²	69.8	25%	0.247	38%	0.376	C	S	.	.			trans	99.2	1.5	177.8	0	0	0	0	0	116.5	T463 K468 N550	T463-G466 PolarHBondContact O-N 3.22Å; G466-K468 PolarHBondContact O-N 3.03Å; G466-N550 VanDerWaalsContact CA-CG 3.49Å; G466-N550 WeakPolarHBondContact CA-ND2 3.42Å; G466-N550 WeakPolarHBondContact CA-OD1 3.45Å; G466-N550 PolarHBondContact N-ND2 2.96Å
467	N	77.6	Confident	83.4	Confident	105 Å²	105	67.2 Å²	67.2	56%	0.561	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-68.8	127.3	172.8	-59.8	-24.7	0	0	0	109.4	T463 V465	T463-N467 PolarHBondContact N-O 2.84Å; T463-N467 WeakPolarHBondContact OG1-CA 3.45Å; T463-N467 WeakPolarHBondContact OG1-CB 3.36Å; T463-N467 PolarHBondContact OG1-N 3.29Å; T463-N467 PolarHBondContact OG1-O 2.89Å; V465-N467 HydrophobicContact CG2-CB 4.46Å
468	K	83.9	Confident	83.3	Confident	99 Å²	99	68.2 Å²	68.2	43%	0.43	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.2	169	-169.5	-172.7	-175.2	-169.2	0	108.8	Y460 W461 G466 M470	Y460-K468 HydrophobicContact CD2-CD 4Å; Y460-K468 HydrophobicContact CD2-CG 3.63Å; Y460-K468 HydrophobicContact CE2-CD 4.23Å; Y460-K468 HydrophobicContact CE2-CG 4.14Å; Y460-K468 HydrophobicContact CG-CD 4.33Å; Y460-K468 HydrophobicContact CG-CG 4.2Å; W461-K468 CarbonylContact O-C 3.54Å; W461-K468 WeakPolarHBondContact O-CA 3.29Å; G466-K468 PolarHBondContact O-N 3.03Å; K468-M470 HydrophobicContact CD-CG 4.08Å; K468-M470 HydrophobicContact CD-SD 3.79Å; K468-M470 WeakPolarHBondContact CE-SD 3.43Å; K468-M470 HydrophobicContact CG-CG 4.17Å; K468-M470 PolarHBondContact NZ-SD 3.12Å
469	V	88.8	Confident	83.3	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.024	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.3	173.8	-175.4	0	0	0	0	107.9	Y460 W461 T463 Y478 L480 L486	Y460-V469 WeakPolarHBondContact CB-O 3.25Å; W461-V469 HydrophobicContact CB-CB 4.46Å; W461-V469 PolarHBondContact N-O 2.88Å; W461-V469 VanDerWaalsContact N-O 3.11Å; W461-V469 PolarHBondContact O-N 3.02Å; T463-V469 HydrophobicContact CG2-CG2 3.83Å; V469-Y478 HydrophobicContact CG2-CG 4.48Å; V469-L480 HydrophobicContact CG1-CB 4.18Å; V469-L480 WeakPolarHBondContact O-CD2 3.31Å; V469-L486 HydrophobicContact CB-CD1 4.46Å; V469-L486 HydrophobicContact CG1-CD1 4.01Å
470	M	87.4	Confident	83.2	Confident	75 Å²	75	63 Å²	63	37%	0.369	34%	0.341	S	S	.	.			trans	-116.5	169.8	173.7	-66.4	177.9	58.7	0	0	109.4	K468 E472 T473	K468-M470 HydrophobicContact CD-CG 4.08Å; K468-M470 HydrophobicContact CD-SD 3.79Å; K468-M470 WeakPolarHBondContact CE-SD 3.43Å; K468-M470 HydrophobicContact CG-CG 4.17Å; K468-M470 PolarHBondContact NZ-SD 3.12Å; M470-E472 PolarHBondContact O-N 3.06Å; M470-T473 PolarHBondContact N-OG1 3.3Å; M470-T473 WeakPolarHBondContact O-CA 3.35Å; M470-T473 VanDerWaalsContact O-CB 3.26Å; M470-T473 WeakPolarHBondContact O-CB 3.38Å; M470-T473 PolarHBondContact O-N 3.03Å; M470-T473 PolarHBondContact O-OG1 3.36Å
471	V	84.1	Confident	83.1	Confident	69 Å²	69	63.1 Å²	63.1	42%	0.418	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.5	179.4	-178.7	0	0	0	0	111.9	T473 L480 T482	V471-T473 VanDerWaalsContact C-N 3.28Å; V471-T473 PolarHBondContact O-N 3.11Å; V471-L480 HydrophobicContact CG2-CD2 4.27Å; V471-L480 HydrophobicContact CG2-CG 4.18Å; V471-T482 HydrophobicContact CG1-CG2 4.25Å
472	E	82.1	Confident	82.7	Confident	174 Å²	174	68.1 Å²	68.1	81%	0.813	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.8	175.6	-59.2	175.9	179.7	0	0	113.6	M470 L474	M470-E472 PolarHBondContact O-N 3.06Å; E472-L474 VanDerWaalsContact C-N 3.32Å; E472-L474 PolarHBondContact O-N 3.37Å
473	T	75.1	Confident	82.6	Confident	60 Å²	60	68.5 Å²	68.5	37%	0.368	38%	0.378	S	S	.	.			trans	-82.8	74.4	-177.1	-45.6	0	0	0	0	110.6	M470 V471 S475	M470-T473 PolarHBondContact N-OG1 3.3Å; M470-T473 WeakPolarHBondContact O-CA 3.35Å; M470-T473 VanDerWaalsContact O-CB 3.26Å; M470-T473 WeakPolarHBondContact O-CB 3.38Å; M470-T473 PolarHBondContact O-N 3.03Å; M470-T473 PolarHBondContact O-OG1 3.36Å; V471-T473 VanDerWaalsContact C-N 3.28Å; V471-T473 PolarHBondContact O-N 3.11Å; T473-S475 PolarHBondContact O-N 3.29Å
474	L	69.4	Low	82.8	Confident	155 Å²	155	68.4 Å²	68.4	81%	0.812	38%	0.378	S	S	*	.			trans	-75	116.8	176.7	-65.1	174	0	0	0	111.2	E472	E472-L474 VanDerWaalsContact C-N 3.32Å; E472-L474 PolarHBondContact O-N 3.37Å
475	S	81.4	Confident	83.5	Confident	60 Å²	60	67.3 Å²	67.3	42%	0.42	37%	0.371	S	S	.	.			trans	-136.2	145.5	171.1	176.9	0	0	0	0	109.4	T473 K477 Y478	T473-S475 PolarHBondContact O-N 3.29Å; S475-K477 PolarHBondContact O-N 3.22Å; S475-K477 PolarHBondContact OG-N 3.44Å; S475-Y478 PolarHBondContact N-O 2.98Å; S475-Y478 CarbonylContact O-C 3.46Å; S475-Y478 PolarHBondContact O-N 2.98Å
476	D	81.9	Confident	84.6	Confident	166 Å²	166	63.4 Å²	63.4	89%	0.888	35%	0.347	S	S	*	.	S	Bend	trans	-56.5	-23.9	172.2	-57.7	-40.5	0	0	0	112.4
477	K	87.9	Confident	85.7	Confident	45 Å²	45	67.7 Å²	67.7	20%	0.196	36%	0.356	C	S	.	.	S	Bend	trans	-88.1	-41	-178.7	-173.8	58.2	174.1	-179.6	0	114	S475 I488 S489 Q490 D495	S475-K477 PolarHBondContact O-N 3.22Å; S475-K477 PolarHBondContact OG-N 3.44Å; K477-I488 WeakPolarHBondContact O-CA 3.5Å; K477-S489 VanDerWaalsContact CD-O 3.3Å; K477-S489 WeakPolarHBondContact CD-O 3.46Å; K477-S489 WeakPolarHBondContact CE-O 3.4Å; K477-S489 PolarHBondContact NZ-O 2.98Å; K477-S489 PolarHBondContact O-N 3.06Å; K477-Q490 PolarHBondContact NZ-O 3.13Å; K477-D495 WeakPolarHBondContact CE-OD1 3.5Å; K477-D495 WeakPolarHBondContact CE-OD2 3.09Å; K477-D495 IonicContact NZ-OD1 2.64Å; K477-D495 IonicContact NZ-OD2 2.58Å; K477-D495 PolarHBondContact NZ-OD2 3.08Å
478	Y	90.8	Very high	86.5	Confident	36 Å²	36	62.7 Å²	62.7	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.1	-170.6	-66.1	-71	0	0	0	110.1	T463 V469 S475 L486 I488 D495 Y499	T463-Y478 HydrophobicContact CG2-CE1 4.22Å; T463-Y478 HydrophobicContact CG2-CE2 4.26Å; V469-Y478 HydrophobicContact CG2-CG 4.48Å; S475-Y478 PolarHBondContact N-O 2.98Å; S475-Y478 CarbonylContact O-C 3.46Å; S475-Y478 PolarHBondContact O-N 2.98Å; Y478-L486 HydrophobicContact CD1-CD1 4.16Å; Y478-I488 HydrophobicContact CD1-CB 4.43Å; Y478-I488 HydrophobicContact CD1-CG1 3.99Å; Y478-I488 HydrophobicContact CD1-CG2 4.12Å; Y478-I488 HydrophobicContact CE1-CB 4.29Å; Y478-I488 HydrophobicContact CE1-CD1 4.15Å; Y478-I488 HydrophobicContact CE1-CG1 3.87Å; Y478-I488 HydrophobicContact CE1-CG2 3.66Å; Y478-D495 PolarHBondContact OH-OD1 3.28Å; Y478-Y499 AromaticContact CE1-CE1 3.73Å; Y478-Y499 HydrophobicContact CE1-CE1 3.73Å; Y478-Y499 PolarHBondContact OH-OH 3.11Å
479	S	90.9	Very high	86.9	Confident	44 Å²	44	59.4 Å²	59.4	31%	0.308	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.5	171.1	61.3	0	0	0	0	110.2	R487	S479-R487 PolarHBondContact N-O 3Å; S479-R487 VanDerWaalsContact N-O 3.1Å; S479-R487 PolarHBondContact O-N 2.84Å; S479-R487 WeakPolarHBondContact OG-CB 3.09Å
480	L	91.3	Very high	87	Confident	14 Å²	14	65.8 Å²	65.8	7%	0.073	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.5	178.7	-179	59.1	0	0	0	110	V469 V471 G484 T485 L486	V469-L480 HydrophobicContact CG1-CB 4.18Å; V469-L480 WeakPolarHBondContact O-CD2 3.31Å; V471-L480 HydrophobicContact CG2-CD2 4.27Å; V471-L480 HydrophobicContact CG2-CG 4.18Å; L480-G484 VanDerWaalsContact CD1-C 3.5Å; L480-T485 WeakPolarHBondContact CA-O 3.43Å; L480-T485 WeakPolarHBondContact CD1-O 3.2Å; L480-L486 HydrophobicContact CD1-CB 4.47Å
481	S	89	Confident	87.2	Confident	43 Å²	43	62.2 Å²	62.2	30%	0.301	33%	0.331	S	S	.	.			trans	-73.5	159.1	172.3	79.8	0	0	0	0	111.4	E483 G484 T485	S481-E483 PolarHBondContact O-N 3.04Å; S481-E483 VanDerWaalsContact O-N 3.15Å; S481-E483 PolarHBondContact OG-N 3.21Å; S481-G484 PolarHBondContact O-N 3.09Å; S481-G484 VanDerWaalsContact O-N 3.08Å; S481-G484 PolarHBondContact OG-N 3.15Å; S481-T485 PolarHBondContact N-O 3.32Å; S481-T485 WeakPolarHBondContact OG-CB 3.29Å; S481-T485 PolarHBondContact OG-N 2.76Å; S481-T485 PolarHBondContact OG-OG1 2.85Å
482	T	85.1	Confident	87.2	Confident	106 Å²	106	62.6 Å²	62.6	65%	0.65	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.4	171.9	52.1	0	0	0	0	113.3	V471 G484	V471-T482 HydrophobicContact CG1-CG2 4.25Å; T482-G484 VanDerWaalsContact C-N 3.34Å
483	E	83.3	Confident	87	Confident	38 Å²	38	56.9 Å²	56.9	18%	0.178	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	6.5	179.3	-51.9	-61.8	130.8	0	0	112.8	R307 N331 R450 S481	R307-E483 WeakPolarHBondContact CD-OE1 3.45Å; R307-E483 IonicContact NH1-OE1 2.64Å; N331-E483 PolarHBondContact ND2-OE2 3.04Å; R450-E483 PolarHBondContact NH1-O 2.95Å; S481-E483 PolarHBondContact O-N 3.04Å; S481-E483 VanDerWaalsContact O-N 3.15Å; S481-E483 PolarHBondContact OG-N 3.21Å
484	G	90.1	Very high	87.1	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.01	32%	0.324	C	S	.	.	S	Bend	trans	87.6	8.7	178.4	0	0	0	0	0	115.9	C449 W461 L480 S481 T482 L486	C449-G484 WeakPolarHBondContact CB-O 3.31Å; C449-G484 PolarHBondContact N-O 2.95Å; W461-G484 PolarHBondContact NE1-O 3.44Å; L480-G484 VanDerWaalsContact CD1-C 3.5Å; S481-G484 PolarHBondContact O-N 3.09Å; S481-G484 VanDerWaalsContact O-N 3.08Å; S481-G484 PolarHBondContact OG-N 3.15Å; T482-G484 VanDerWaalsContact C-N 3.34Å; G484-L486 PolarHBondContact O-N 2.83Å
485	T	92.3	Very high	87.8	Confident	14 Å²	14	55.4 Å²	55.4	9%	0.086	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	113.1	179.3	-47.9	0	0	0	0	111.5	D446 L447 D448 R450 L480 S481	D446-T485 HydrophobicContact CB-CG2 3.88Å; L447-T485 CarbonylContact O-C 3.52Å; L447-T485 WeakPolarHBondContact O-CA 3.47Å; D448-T485 WeakPolarHBondContact OD1-CB 3.47Å; D448-T485 WeakPolarHBondContact OD1-CG2 3.23Å; D448-T485 PolarHBondContact OD1-OG1 2.98Å; R450-T485 PolarHBondContact NH1-OG1 2.98Å; L480-T485 WeakPolarHBondContact CA-O 3.43Å; L480-T485 WeakPolarHBondContact CD1-O 3.2Å; S481-T485 PolarHBondContact N-O 3.32Å; S481-T485 WeakPolarHBondContact OG-CB 3.29Å; S481-T485 PolarHBondContact OG-N 2.76Å; S481-T485 PolarHBondContact OG-OG1 2.85Å
486	L	93.8	Very high	87.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.7	171	178	68	0	0	0	110	L447 W461 V469 Y478 L480 G484 I488 Y499	L447-L486 HydrophobicContact CB-CB 4.42Å; L447-L486 PolarHBondContact N-O 3.35Å; L447-L486 PolarHBondContact O-N 3.44Å; W461-L486 HydrophobicContact CB-CD1 4.46Å; W461-L486 HydrophobicContact CB-CD2 3.95Å; W461-L486 HydrophobicContact CD2-CB 3.87Å; W461-L486 HydrophobicContact CD2-CD2 3.82Å; W461-L486 HydrophobicContact CD2-CG 4.46Å; W461-L486 HydrophobicContact CE3-CD2 3.98Å; W461-L486 HydrophobicContact CG-CB 3.8Å; W461-L486 HydrophobicContact CG-CD2 3.85Å; W461-L486 HydrophobicContact CG-CG 4.28Å; W461-L486 HydrophobicContact CZ2-CB 4.31Å; V469-L486 HydrophobicContact CB-CD1 4.46Å; V469-L486 HydrophobicContact CG1-CD1 4.01Å; Y478-L486 HydrophobicContact CD1-CD1 4.16Å; L480-L486 HydrophobicContact CD1-CB 4.47Å; G484-L486 PolarHBondContact O-N 2.83Å; L486-I488 HydrophobicContact CD2-CD1 4.08Å; L486-I488 HydrophobicContact CD2-CG1 4.05Å; L486-I488 HydrophobicContact CG-CG1 4Å; L486-Y499 HydrophobicContact CD2-CD1 3.84Å; L486-Y499 HydrophobicContact CD2-CE1 4.33Å
487	R	93.7	Very high	87.8	Confident	113 Å²	113	45 Å²	45	43%	0.426	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129	167	172.2	170.5	-68.5	168.2	2.7	110.2	T444 V445 D446 S479	T444-R487 HydrophobicContact CG2-CG 3.92Å; V445-R487 CarbonylContact O-C 3.59Å; V445-R487 WeakPolarHBondContact O-CA 3.26Å; D446-R487 VanDerWaalsContact OD1-CB 3.24Å; D446-R487 WeakPolarHBondContact OD1-CB 3.12Å; D446-R487 VanDerWaalsContact OD1-CG 3.29Å; D446-R487 WeakPolarHBondContact OD1-CG 3.48Å; D446-R487 IonicContact OD1-CZ 2.67Å; D446-R487 IonicContact OD1-NE 3.58Å; D446-R487 PolarHBondContact OD1-NE 2.8Å; D446-R487 IonicContact OD1-NH2 2.66Å; D446-R487 PolarHBondContact OD1-NH2 3.29Å; D446-R487 IonicContact OD2-CZ 2.64Å; D446-R487 IonicContact OD2-NE 3.42Å; D446-R487 IonicContact OD2-NH2 3.57Å; D446-R487 PolarHBondContact OD2-NH2 3.45Å; S479-R487 PolarHBondContact N-O 3Å; S479-R487 VanDerWaalsContact N-O 3.1Å; S479-R487 PolarHBondContact O-N 2.84Å; S479-R487 WeakPolarHBondContact OG-CB 3.09Å
488	I	93.4	Very high	87.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.7	174.3	-44.7	174.8	0	0	0	108	T444 V445 L447 K477 Y478 L486 I491 Y499 I516	T444-I488 WeakPolarHBondContact CA-O 3.39Å; V445-I488 HydrophobicContact CG1-CB 4.03Å; V445-I488 HydrophobicContact CG1-CD1 4.15Å; V445-I488 HydrophobicContact CG1-CG1 4.19Å; V445-I488 PolarHBondContact N-O 2.65Å; V445-I488 PolarHBondContact O-N 2.86Å; L447-I488 HydrophobicContact CD1-CD1 4.29Å; K477-I488 WeakPolarHBondContact O-CA 3.5Å; Y478-I488 HydrophobicContact CD1-CB 4.43Å; Y478-I488 HydrophobicContact CD1-CG1 3.99Å; Y478-I488 HydrophobicContact CD1-CG2 4.12Å; Y478-I488 HydrophobicContact CE1-CB 4.29Å; Y478-I488 HydrophobicContact CE1-CD1 4.15Å; Y478-I488 HydrophobicContact CE1-CG1 3.87Å; Y478-I488 HydrophobicContact CE1-CG2 3.66Å; L486-I488 HydrophobicContact CD2-CD1 4.08Å; L486-I488 HydrophobicContact CD2-CG1 4.05Å; L486-I488 HydrophobicContact CG-CG1 4Å; I488-I491 HydrophobicContact CB-CD1 4.32Å; I488-I491 HydrophobicContact CB-CG1 4.33Å; I488-I491 HydrophobicContact CG2-CD1 4.32Å; I488-I491 HydrophobicContact CG2-CG1 3.86Å; I488-Y499 HydrophobicContact CD1-CD1 4.11Å; I488-Y499 HydrophobicContact CD1-CE1 3.67Å; I488-Y499 HydrophobicContact CD1-CE2 4.25Å; I488-I516 HydrophobicContact CD1-CD1 3.69Å
489	S	93.2	Very high	87.5	Confident	31 Å²	31	48.5 Å²	48.5	22%	0.217	24%	0.243	C	C	.	.			trans	-86.7	147.2	-176.7	-61.3	0	0	0	0	112.3	K477 I491	K477-S489 VanDerWaalsContact CD-O 3.3Å; K477-S489 WeakPolarHBondContact CD-O 3.46Å; K477-S489 WeakPolarHBondContact CE-O 3.4Å; K477-S489 PolarHBondContact NZ-O 2.98Å; K477-S489 PolarHBondContact O-N 3.06Å; S489-I491 PolarHBondContact O-N 3.16Å
490	Q	91.4	Very high	87.4	Confident	138 Å²	138	48 Å²	48	65%	0.645	24%	0.238	S	C	*	.	S	Bend	trans	46.3	56.4	169.3	-61.4	-174	-5.7	0	0	114.3	M443 K477 Q492	M443-Q490 PolarHBondContact O-N 2.9Å; K477-Q490 PolarHBondContact NZ-O 3.13Å; Q490-Q492 PolarHBondContact O-N 3.2Å; Q490-Q492 PolarHBondContact O-NE2 3.41Å
491	I	90.3	Very high	87.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.			trans	-54.4	134.1	-173.6	-78.6	175.2	0	0	0	112.7	L439 I441 G442 M443 V445 I488 S489 V518	L439-I491 HydrophobicContact CD1-CD1 3.41Å; L439-I491 VanDerWaalsContact CD1-CD1 3.41Å; I441-I491 CarbonylContact C-O 3.17Å; I441-I491 WeakPolarHBondContact CA-O 3.46Å; G442-I491 PolarHBondContact N-O 3.37Å; M443-I491 WeakPolarHBondContact O-CB 3.22Å; M443-I491 PolarHBondContact O-N 3.17Å; V445-I491 HydrophobicContact CB-CD1 4.11Å; V445-I491 HydrophobicContact CG1-CD1 3.59Å; I488-I491 HydrophobicContact CB-CD1 4.32Å; I488-I491 HydrophobicContact CB-CG1 4.33Å; I488-I491 HydrophobicContact CG2-CD1 4.32Å; I488-I491 HydrophobicContact CG2-CG1 3.86Å; S489-I491 PolarHBondContact O-N 3.16Å; I491-V518 HydrophobicContact CG2-CB 4.26Å; I491-V518 HydrophobicContact CG2-CG1 3.85Å; I491-V518 HydrophobicContact CG2-CG2 3.34Å
492	Q	85.8	Confident	87.5	Confident	77 Å²	77	45.8 Å²	45.8	36%	0.36	22%	0.223	S	C	.	.			trans	-120	164.9	177.7	-59.4	-53.7	-44.5	0	0	110	Q490 E494 D495 V518	Q490-Q492 PolarHBondContact O-N 3.2Å; Q490-Q492 PolarHBondContact O-NE2 3.41Å; Q492-E494 PolarHBondContact O-N 2.92Å; Q492-E494 VanDerWaalsContact O-N 3.14Å; Q492-D495 PolarHBondContact N-OD2 2.92Å; Q492-D495 WeakPolarHBondContact O-CB 3.46Å; Q492-D495 PolarHBondContact O-N 2.96Å; Q492-V518 WeakPolarHBondContact O-CG2 3.44Å
493	V	77.5	Confident	87.9	Confident	53 Å²	53	40.8 Å²	40.8	32%	0.321	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-55	-35.8	178.3	178.5	0	0	0	0	111.8	I441 D495 S496 V518 L523	I441-V493 HydrophobicContact CD1-CG2 3.81Å; I441-V493 HydrophobicContact CG1-CG2 4.23Å; V493-D495 PolarHBondContact O-N 3.22Å; V493-S496 VanDerWaalsContact O-CB 3.23Å; V493-S496 WeakPolarHBondContact O-CB 3.28Å; V493-S496 PolarHBondContact O-N 2.85Å; V493-S496 PolarHBondContact O-OG 3.42Å; V493-V518 HydrophobicContact CG2-CG1 4.42Å; V493-L523 VanDerWaalsContact O-CD1 3.22Å; V493-L523 WeakPolarHBondContact O-CD1 3.21Å
494	E	77.2	Confident	88.1	Confident	166 Å²	166	43 Å²	43	78%	0.776	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-61.8	-22.9	177.3	-68.1	156.7	-118.7	0	0	114.7	Q492 S496	Q492-E494 PolarHBondContact O-N 2.92Å; Q492-E494 VanDerWaalsContact O-N 3.14Å; E494-S496 VanDerWaalsContact C-N 3.27Å
495	D	84	Confident	88.2	Confident	19 Å²	19	43.9 Å²	43.9	10%	0.102	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-81.1	-5.9	175.2	-57.7	-63.3	0	0	0	112.6	K477 Y478 Q492 V493 G497 Y499	K477-D495 WeakPolarHBondContact CE-OD1 3.5Å; K477-D495 WeakPolarHBondContact CE-OD2 3.09Å; K477-D495 IonicContact NZ-OD1 2.64Å; K477-D495 IonicContact NZ-OD2 2.58Å; K477-D495 PolarHBondContact NZ-OD2 3.08Å; Y478-D495 PolarHBondContact OH-OD1 3.28Å; Q492-D495 PolarHBondContact N-OD2 2.92Å; Q492-D495 WeakPolarHBondContact O-CB 3.46Å; Q492-D495 PolarHBondContact O-N 2.96Å; V493-D495 PolarHBondContact O-N 3.22Å; D495-G497 PolarHBondContact O-N 2.85Å; D495-Y499 VanDerWaalsContact O-CE2 3.3Å; D495-Y499 WeakPolarHBondContact O-CE2 3.36Å; D495-Y499 PolarHBondContact O-OH 3.03Å
496	S	82.7	Confident	88	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.021	24%	0.235	C	C	.	.			trans	-61.4	137.7	177.3	-55.6	0	0	0	0	110.8	V493 E494 V518 T521	V493-S496 VanDerWaalsContact O-CB 3.23Å; V493-S496 WeakPolarHBondContact O-CB 3.28Å; V493-S496 PolarHBondContact O-N 2.85Å; V493-S496 PolarHBondContact O-OG 3.42Å; E494-S496 VanDerWaalsContact C-N 3.27Å; S496-V518 WeakPolarHBondContact OG-CB 3.45Å; S496-V518 WeakPolarHBondContact OG-CG2 3.35Å; S496-V518 PolarHBondContact OG-N 2.65Å; S496-T521 PolarHBondContact OG-O 2.98Å
497	G	81	Confident	87.8	Confident	5 Å²	5	51.9 Å²	51.9	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.5	-159.8	178.4	0	0	0	0	0	113.5	D495 A515 I516	D495-G497 PolarHBondContact O-N 2.85Å; G497-A515 CarbonylContact O-C 3.54Å; G497-A515 WeakPolarHBondContact O-CA 3.22Å; G497-I516 PolarHBondContact N-O 3.22Å; G497-I516 PolarHBondContact O-N 3.14Å
498	R	83.2	Confident	87.5	Confident	154 Å²	154	47.7 Å²	47.7	58%	0.581	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.7	-178.8	-69.2	-175.2	123.4	-118.1	-7.3	110.5	V513 T514 A515	R498-V513 HydrophobicContact CB-CG1 3.76Å; R498-V513 HydrophobicContact CG-CG1 4.21Å; R498-T514 WeakPolarHBondContact CA-O 3.23Å; R498-A515 HydrophobicContact CG-CB 4.49Å
499	Y	87.8	Confident	87.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.3	172.3	-72.2	-99.7	0	0	0	108.9	T463 P464 Y478 L486 I488 D495 V513 T514 I516	T463-Y499 HydrophobicContact CG2-CE1 4.1Å; P464-Y499 HydrophobicContact CG-CD2 3.89Å; P464-Y499 HydrophobicContact CG-CE1 4.39Å; P464-Y499 HydrophobicContact CG-CE2 3.52Å; P464-Y499 HydrophobicContact CG-CG 4.47Å; Y478-Y499 AromaticContact CE1-CE1 3.73Å; Y478-Y499 HydrophobicContact CE1-CE1 3.73Å; Y478-Y499 PolarHBondContact OH-OH 3.11Å; L486-Y499 HydrophobicContact CD2-CD1 3.84Å; L486-Y499 HydrophobicContact CD2-CE1 4.33Å; I488-Y499 HydrophobicContact CD1-CD1 4.11Å; I488-Y499 HydrophobicContact CD1-CE1 3.67Å; I488-Y499 HydrophobicContact CD1-CE2 4.25Å; D495-Y499 VanDerWaalsContact O-CE2 3.3Å; D495-Y499 WeakPolarHBondContact O-CE2 3.36Å; D495-Y499 PolarHBondContact O-OH 3.03Å; Y499-V513 WeakPolarHBondContact O-CA 3.24Å; Y499-V513 WeakPolarHBondContact O-CG1 3.25Å; Y499-T514 PolarHBondContact N-O 2.68Å; Y499-T514 PolarHBondContact O-N 3.36Å; Y499-I516 HydrophobicContact CD2-CB 4.31Å; Y499-I516 HydrophobicContact CD2-CD1 3.47Å; Y499-I516 VanDerWaalsContact CD2-CD1 3.47Å; Y499-I516 HydrophobicContact CD2-CG1 3.77Å; Y499-I516 HydrophobicContact CE2-CB 4.26Å; Y499-I516 HydrophobicContact CE2-CD1 3.52Å; Y499-I516 HydrophobicContact CE2-CG1 4.06Å; Y499-I516 HydrophobicContact CG-CD1 4.22Å
500	T	88.5	Confident	86.8	Confident	33 Å²	33	51 Å²	51	20%	0.202	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.1	-179	-55.8	0	0	0	0	109.2	W461 V462 V502 R512 V513	W461-T500 CarbonylContact C-O 3.26Å; W461-T500 WeakPolarHBondContact CA-O 3.49Å; W461-T500 VanDerWaalsContact CE3-C 3.48Å; V462-T500 PolarHBondContact N-O 3.12Å; V462-T500 PolarHBondContact O-N 3.19Å; T500-V502 HydrophobicContact CG2-CG2 4.01Å; T500-R512 CarbonylContact C-O 3.54Å; T500-R512 WeakPolarHBondContact CA-O 3.28Å; T500-V513 HydrophobicContact CG2-CG2 4.04Å
501	C	93.4	Very high	86.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138	160.6	-179.3	0	0	0	0	109	I428 F433 C449 W461 T511 R512	I428-C501 HydrophobicContact CD1-CB 4.18Å; F433-C501 HydrophobicContact CE1-CB 3.98Å; F433-C501 HydrophobicContact CZ-CB 4.04Å; C449-C501 HydrophobicContact CB-CB 3.77Å; C449-C501 WeakPolarHBondContact CB-SG 3.25Å; C449-C501 WeakPolarHBondContact SG-CB 3.44Å; C449-C501 CovalentContact SG-SG 2.02Å; C449-C501 PolarHBondContact SG-SG 2.86Å; W461-C501 HydrophobicContact CD2-CB 3.89Å; W461-C501 HydrophobicContact CE3-CB 3.97Å; W461-C501 HydrophobicContact CH2-CB 3.89Å; W461-C501 HydrophobicContact CZ2-CB 3.8Å; W461-C501 HydrophobicContact CZ3-CB 3.96Å; C501-T511 VanDerWaalsContact O-CA 3.29Å; C501-T511 WeakPolarHBondContact O-CA 3.45Å; C501-R512 PolarHBondContact N-O 3.14Å; C501-R512 PolarHBondContact O-N 2.85Å
502	V	90.4	Very high	86.5	Confident	11 Å²	11	49.7 Å²	49.7	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.2	170.2	-174.9	0	0	0	0	108.3	I459 Y460 V462 T500 A509 D510 T511	I459-V502 WeakPolarHBondContact CA-O 3.48Å; Y460-V502 HydrophobicContact CD1-CB 4.32Å; Y460-V502 HydrophobicContact CD2-CB 4.04Å; Y460-V502 HydrophobicContact CD2-CG2 4.29Å; Y460-V502 HydrophobicContact CE1-CB 3.91Å; Y460-V502 HydrophobicContact CE1-CG1 3.78Å; Y460-V502 HydrophobicContact CE2-CB 3.62Å; Y460-V502 HydrophobicContact CE2-CG1 4.1Å; Y460-V502 HydrophobicContact CE2-CG2 3.7Å; Y460-V502 HydrophobicContact CG-CB 4.4Å; Y460-V502 PolarHBondContact N-O 3.1Å; Y460-V502 PolarHBondContact O-N 3.34Å; Y460-V502 WeakPolarHBondContact OH-CG1 3.47Å; V462-V502 HydrophobicContact CG2-CG2 4.34Å; T500-V502 HydrophobicContact CG2-CG2 4.01Å; V502-A509 HydrophobicContact CG1-CB 4.21Å; V502-D510 WeakPolarHBondContact CA-O 3.44Å; V502-T511 HydrophobicContact CB-CG2 4.37Å; V502-T511 HydrophobicContact CG1-CG2 4.06Å; V502-T511 HydrophobicContact CG2-CG2 3.93Å
503	A	92.6	Very high	86.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.6	169.6	0	0	0	0	0	108	P426 I428 A451 P457 I459 A509 D510	P426-A503 HydrophobicContact CB-CB 4.07Å; P426-A503 WeakPolarHBondContact CG-O 3.45Å; I428-A503 HydrophobicContact CD1-CB 4.25Å; I428-A503 HydrophobicContact CG1-CB 3.85Å; A451-A503 HydrophobicContact CB-CB 3.5Å; P457-A503 HydrophobicContact CB-CB 4.19Å; P457-A503 HydrophobicContact CG-CB 4.46Å; I459-A503 HydrophobicContact CG1-CB 4.29Å; A503-A509 CarbonylContact O-C 3.37Å; A503-A509 WeakPolarHBondContact O-CA 3.47Å; A503-D510 PolarHBondContact N-O 2.98Å; A503-D510 PolarHBondContact O-N 3.25Å
504	Q	88.9	Confident	87	Confident	86 Å²	86	45.2 Å²	45.2	40%	0.402	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.2	-171.7	179	172.7	-0.4	0	0	111.4	P457 D458 Y460 G508 A509	P457-Q504 CarbonylContact C-O 3.53Å; P457-Q504 VanDerWaalsContact CA-O 3.29Å; P457-Q504 WeakPolarHBondContact CA-O 3.3Å; D458-Q504 PolarHBondContact N-O 2.93Å; D458-Q504 PolarHBondContact O-N 3.22Å; Y460-Q504 HydrophobicContact CE1-CB 4.41Å; Q504-G508 WeakPolarHBondContact CA-O 3.15Å; Q504-A509 HydrophobicContact CB-CB 3.96Å; Q504-A509 HydrophobicContact CG-CB 4.11Å
505	N	90.3	Very high	87.5	Confident	18 Å²	18	37.9 Å²	37.9	10%	0.096	22%	0.217	C	C	.	.			trans	-131.7	-167.9	168.6	76.8	-3.8	0	0	0	110.8	C424 P426 S453 P455 P457 E507 G508	C424-N505 PolarHBondContact O-ND2 2.88Å; P426-N505 WeakPolarHBondContact CD-OD1 3.31Å; S453-N505 WeakPolarHBondContact CB-ND2 3.36Å; P455-N505 PolarHBondContact O-ND2 3.26Å; P457-N505 HydrophobicContact CB-CB 4.49Å; N505-E507 VanDerWaalsContact C-N 3.28Å; N505-E507 PolarHBondContact O-N 3.49Å; N505-E507 PolarHBondContact OD1-N 3.14Å; N505-G508 PolarHBondContact N-O 3.17Å; N505-G508 PolarHBondContact O-N 2.94Å; N505-G508 PolarHBondContact OD1-N 2.84Å; N505-G508 PolarHBondContact OD1-O 3.4Å
506	A	89.1	Confident	87.7	Confident	82 Å²	82	37 Å²	37	68%	0.678	21%	0.212	S	C	*	.	S	Bend	trans	-63.2	-30.1	-179.6	0	0	0	0	0	113.9
507	E	89.8	Confident	87.9	Confident	100 Å²	100	41.7 Å²	41.7	47%	0.467	23%	0.229	S	C	.	.	S	Bend	trans	-83.5	-25.1	-177.2	-61.9	-58.5	109.9	0	0	112.7	Q423 L425 N505	Q423-E507 HydrophobicContact CB-CG 3.78Å; L425-E507 HydrophobicContact CD2-CB 4.05Å; L425-E507 WeakPolarHBondContact CD2-O 3.35Å; L425-E507 HydrophobicContact CG-CB 4.49Å; N505-E507 VanDerWaalsContact C-N 3.28Å; N505-E507 PolarHBondContact O-N 3.49Å; N505-E507 PolarHBondContact OD1-N 3.14Å
508	G	87.2	Confident	88.1	Confident	25 Å²	25	41.5 Å²	41.5	26%	0.258	23%	0.227	S	C	.	.			trans	160.3	-155.1	178.9	0	0	0	0	0	113.6	Q504 N505	Q504-G508 WeakPolarHBondContact CA-O 3.15Å; N505-G508 PolarHBondContact N-O 3.17Å; N505-G508 PolarHBondContact O-N 2.94Å; N505-G508 PolarHBondContact OD1-N 2.84Å; N505-G508 PolarHBondContact OD1-O 3.4Å
509	A	85.9	Confident	87.9	Confident	55 Å²	55	39.2 Å²	39.2	46%	0.455	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.3	-179.1	0	0	0	0	0	112.2	V502 A503 Q504	V502-A509 HydrophobicContact CG1-CB 4.21Å; A503-A509 CarbonylContact O-C 3.37Å; A503-A509 WeakPolarHBondContact O-CA 3.47Å; Q504-A509 HydrophobicContact CB-CB 3.96Å; Q504-A509 HydrophobicContact CG-CB 4.11Å
510	D	86.3	Confident	86.7	Confident	46 Å²	46	42.1 Å²	42.1	25%	0.246	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.1	169.3	-179.3	34.3	0	0	0	109.7	P426 M427 I428 V502 A503	P426-D510 HydrophobicContact CB-CB 4.48Å; P426-D510 HydrophobicContact CG-CB 4.34Å; P426-D510 VanDerWaalsContact O-CB 3.3Å; P426-D510 WeakPolarHBondContact O-CB 3.45Å; M427-D510 WeakPolarHBondContact CA-OD2 3.46Å; I428-D510 PolarHBondContact N-OD2 2.94Å; V502-D510 WeakPolarHBondContact CA-O 3.44Å; A503-D510 PolarHBondContact N-O 2.98Å; A503-D510 PolarHBondContact O-N 3.25Å
511	T	87.9	Confident	85.3	Confident	79 Å²	79	43.6 Å²	43.6	49%	0.485	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.6	-173.2	68.9	0	0	0	0	111.7	C501 V502	C501-T511 VanDerWaalsContact O-CA 3.29Å; C501-T511 WeakPolarHBondContact O-CA 3.45Å; V502-T511 HydrophobicContact CB-CG2 4.37Å; V502-T511 HydrophobicContact CG1-CG2 4.06Å; V502-T511 HydrophobicContact CG2-CG2 3.93Å
512	R	86.3	Confident	83.3	Confident	32 Å²	32	46.2 Å²	46.2	12%	0.121	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.1	171.6	-74.9	-165.2	64.9	-141	-1.5	111	I428 S429 H430 F433 N435 T500 C501	I428-R512 HydrophobicContact CB-CB 4.47Å; I428-R512 HydrophobicContact CB-CG 4.04Å; I428-R512 HydrophobicContact CD1-CB 4.11Å; I428-R512 HydrophobicContact CD1-CG 4.27Å; I428-R512 HydrophobicContact CG2-CB 4.24Å; I428-R512 HydrophobicContact CG2-CG 4.18Å; S429-R512 PolarHBondContact O-NH1 3.15Å; H430-R512 PolarHBondContact O-NH1 3.06Å; H430-R512 PolarHBondContact O-NH2 3.32Å; F433-R512 HydrophobicContact CE1-CB 4.47Å; F433-R512 HydrophobicContact CE2-CB 4.16Å; F433-R512 HydrophobicContact CZ-CB 3.59Å; N435-R512 PolarHBondContact OD1-NH2 3.28Å; T500-R512 CarbonylContact C-O 3.54Å; T500-R512 WeakPolarHBondContact CA-O 3.28Å; C501-R512 PolarHBondContact N-O 3.14Å; C501-R512 PolarHBondContact O-N 2.85Å
513	V	85.8	Confident	81.5	Confident	35 Å²	35	50 Å²	50	21%	0.212	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.6	-172.6	-170.6	0	0	0	0	110.4	R498 Y499 T500	R498-V513 HydrophobicContact CB-CG1 3.76Å; R498-V513 HydrophobicContact CG-CG1 4.21Å; Y499-V513 WeakPolarHBondContact O-CA 3.24Å; Y499-V513 WeakPolarHBondContact O-CG1 3.25Å; T500-V513 HydrophobicContact CG2-CG2 4.04Å
514	T	89.4	Confident	79.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.1	165.2	-171.9	0	0	0	0	110.8	F433 P434 N435 L447 W461 R498 Y499 I516	F433-T514 HydrophobicContact CD2-CG2 4.31Å; F433-T514 HydrophobicContact CE2-CG2 4.41Å; P434-T514 VanDerWaalsContact O-CB 3.26Å; P434-T514 WeakPolarHBondContact O-CB 3.43Å; P434-T514 PolarHBondContact O-OG1 3.21Å; N435-T514 WeakPolarHBondContact O-CA 3.22Å; L447-T514 HydrophobicContact CD1-CG2 3.87Å; L447-T514 HydrophobicContact CD2-CG2 4.41Å; W461-T514 HydrophobicContact CH2-CG2 4.48Å; W461-T514 HydrophobicContact CZ3-CG2 4.26Å; R498-T514 WeakPolarHBondContact CA-O 3.23Å; Y499-T514 PolarHBondContact N-O 2.68Å; Y499-T514 PolarHBondContact O-N 3.36Å; T514-I516 HydrophobicContact CG2-CG1 4.47Å
515	A	86.8	Confident	77	Confident	13 Å²	13	54 Å²	54	11%	0.107	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	108.3	174.4	0	0	0	0	0	110.1	N435 H436 L437 G497 R498 L522	N435-A515 PolarHBondContact O-N 3.35Å; H436-A515 WeakPolarHBondContact CA-O 3.46Å; L437-A515 PolarHBondContact N-O 3.24Å; G497-A515 CarbonylContact O-C 3.54Å; G497-A515 WeakPolarHBondContact O-CA 3.22Å; R498-A515 HydrophobicContact CG-CB 4.49Å; A515-L522 HydrophobicContact CB-CD1 4.5Å
516	I	89.5	Confident	74.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.2	174.4	-55.6	-174.7	0	0	0	109.1	L437 L439 L447 I488 G497 Y499 T514 V518	L437-I516 WeakPolarHBondContact O-CA 3.46Å; L439-I516 HydrophobicContact CD1-CG2 3.9Å; L447-I516 HydrophobicContact CD1-CD1 4.05Å; I488-I516 HydrophobicContact CD1-CD1 3.69Å; G497-I516 PolarHBondContact N-O 3.22Å; G497-I516 PolarHBondContact O-N 3.14Å; Y499-I516 HydrophobicContact CD2-CB 4.31Å; Y499-I516 HydrophobicContact CD2-CD1 3.47Å; Y499-I516 VanDerWaalsContact CD2-CD1 3.47Å; Y499-I516 HydrophobicContact CD2-CG1 3.77Å; Y499-I516 HydrophobicContact CE2-CB 4.26Å; Y499-I516 HydrophobicContact CE2-CD1 3.52Å; Y499-I516 HydrophobicContact CE2-CG1 4.06Å; Y499-I516 HydrophobicContact CG-CD1 4.22Å; T514-I516 HydrophobicContact CG2-CG1 4.47Å; I516-V518 HydrophobicContact CG2-CG2 4.19Å
517	R	85.4	Confident	72.8	Confident	101 Å²	101	61.5 Å²	61.5	38%	0.381	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126	172.5	-66.8	180	178.7	161.7	-1.7	109.5	L437 N438 L439 T521 L522	L437-R517 PolarHBondContact O-N 3.33Å; N438-R517 WeakPolarHBondContact CA-O 3.26Å; L439-R517 PolarHBondContact N-O 3.22Å; R517-T521 CarbonylContact C-O 3.54Å; R517-T521 WeakPolarHBondContact CA-O 3.48Å; R517-T521 WeakPolarHBondContact CB-O 3.48Å; R517-L522 HydrophobicContact CG-CB 3.98Å; R517-L522 HydrophobicContact CG-CD1 3.68Å; R517-L522 HydrophobicContact CG-CG 4.43Å
518	V	86.7	Confident	71.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.5	179.9	-174.1	0	0	0	0	109.4	L439 I441 I491 Q492 V493 S496 I516 G520 T521	L439-V518 CarbonylContact O-C 3.52Å; L439-V518 VanDerWaalsContact O-CA 3.29Å; L439-V518 WeakPolarHBondContact O-CA 3.47Å; I441-V518 HydrophobicContact CG1-CG1 3.76Å; I491-V518 HydrophobicContact CG2-CB 4.26Å; I491-V518 HydrophobicContact CG2-CG1 3.85Å; I491-V518 HydrophobicContact CG2-CG2 3.34Å; Q492-V518 WeakPolarHBondContact O-CG2 3.44Å; V493-V518 HydrophobicContact CG2-CG1 4.42Å; S496-V518 WeakPolarHBondContact OG-CB 3.45Å; S496-V518 WeakPolarHBondContact OG-CG2 3.35Å; S496-V518 PolarHBondContact OG-N 2.65Å; I516-V518 HydrophobicContact CG2-CG2 4.19Å; V518-G520 PolarHBondContact O-N 3.18Å; V518-T521 PolarHBondContact N-O 3.15Å; V518-T521 VanDerWaalsContact N-O 3.07Å; V518-T521 PolarHBondContact O-N 3.3Å; V518-T521 PolarHBondContact O-OG1 3.03Å
519	N	77.9	Confident	69.8	Low	106 Å²	106	57.3 Å²	57.3	57%	0.567	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.1	-175.3	-167.4	18.1	0	0	0	112.7	L439 T521	L439-N519 PolarHBondContact O-N 2.82Å; N519-T521 PolarHBondContact O-N 2.8Å
520	G	62.3	Low	68.8	Low	62 Å²	62	59 Å²	59	64%	0.639	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-8.2	-176.8	0	0	0	0	0	115.9	V518	V518-G520 PolarHBondContact O-N 3.18Å
521	T	58.7	Low	68.4	Low	63 Å²	63	57.2 Å²	57.2	39%	0.387	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-84.7	132.5	177.7	65.8	0	0	0	0	111.2	S496 R517 V518 N519	S496-T521 PolarHBondContact OG-O 2.98Å; R517-T521 CarbonylContact C-O 3.54Å; R517-T521 WeakPolarHBondContact CA-O 3.48Å; R517-T521 WeakPolarHBondContact CB-O 3.48Å; V518-T521 PolarHBondContact N-O 3.15Å; V518-T521 VanDerWaalsContact N-O 3.07Å; V518-T521 PolarHBondContact O-N 3.3Å; V518-T521 PolarHBondContact O-OG1 3.03Å; N519-T521 PolarHBondContact O-N 2.8Å
522	L	53.3	Low	68.1	Low	56 Å²	56	58.6 Å²	58.6	29%	0.293	32%	0.316	S	S	.	.			trans	-98.9	118.9	159.3	-169.2	74.6	0	0	0	106.1	A515 R517 D524	A515-L522 HydrophobicContact CB-CD1 4.5Å; R517-L522 HydrophobicContact CG-CB 3.98Å; R517-L522 HydrophobicContact CG-CD1 3.68Å; R517-L522 HydrophobicContact CG-CG 4.43Å; L522-D524 HydrophobicContact CD2-CB 4.29Å; L522-D524 PolarHBondContact O-N 2.83Å
523	L	52.1	Low	67.9	Low	89 Å²	89	59.6 Å²	59.6	47%	0.466	33%	0.326	S	S	.	.			trans	-70.5	82.9	158.2	-75.4	171.8	0	0	0	106.9	V493	V493-L523 VanDerWaalsContact O-CD1 3.22Å; V493-L523 WeakPolarHBondContact O-CD1 3.21Å
524	D	41.9	Very low	67.8	Low	95 Å²	95	63.5 Å²	63.5	51%	0.508	34%	0.34	S	S	.	.			trans	-62.4	139.8	177.3	-153.9	17.1	0	0	0	108.4	L522 T526	L522-D524 HydrophobicContact CD2-CB 4.29Å; L522-D524 PolarHBondContact O-N 2.83Å; D524-T526 HydrophobicContact CB-CG2 4.26Å; D524-T526 PolarHBondContact O-N 3.26Å; D524-T526 PolarHBondContact O-OG1 2.96Å
525	S	44.4	Very low	67.5	Low	75 Å²	75	68.9 Å²	68.9	52%	0.524	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-71.9	20.7	-173.4	62.2	0	0	0	0	113.7	Q527 L528	S525-Q527 PolarHBondContact O-N 2.8Å; S525-Q527 VanDerWaalsContact O-N 3.07Å; S525-L528 WeakPolarHBondContact O-CB 3.48Å; S525-L528 VanDerWaalsContact O-CD1 3.25Å; S525-L528 WeakPolarHBondContact O-CD1 3.09Å; S525-L528 WeakPolarHBondContact O-CG 3.42Å; S525-L528 PolarHBondContact O-N 2.95Å
526	T	42.3	Very low	67.4	Low	116 Å²	116	69.8 Å²	69.8	71%	0.712	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65.5	-7.9	179.3	54.8	0	0	0	0	113.9	D524	D524-T526 HydrophobicContact CB-CG2 4.26Å; D524-T526 PolarHBondContact O-N 3.26Å; D524-T526 PolarHBondContact O-OG1 2.96Å
527	Q	49.1	Very low	67.3	Low	142 Å²	142	73.3 Å²	73.3	66%	0.664	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-100.9	39.8	163.2	-67.4	-170	19.4	0	0	113.5	S525 M529	S525-Q527 PolarHBondContact O-N 2.8Å; S525-Q527 VanDerWaalsContact O-N 3.07Å; Q527-M529 PolarHBondContact O-N 2.83Å; Q527-M529 VanDerWaalsContact O-N 3.14Å
528	L	54.8	Low	67.1	Low	25 Å²	25	70.2 Å²	70.2	13%	0.131	38%	0.378	C	S	.	.	S	Bend	trans	-57.2	-20.6	170.3	-91.9	153.1	0	0	0	114.1	S525 N548 V551 Q608	S525-L528 WeakPolarHBondContact O-CB 3.48Å; S525-L528 VanDerWaalsContact O-CD1 3.25Å; S525-L528 WeakPolarHBondContact O-CD1 3.09Å; S525-L528 WeakPolarHBondContact O-CG 3.42Å; S525-L528 PolarHBondContact O-N 2.95Å; L528-N548 HydrophobicContact CD2-CB 3.88Å; L528-N548 PolarHBondContact O-N 3.5Å; L528-N548 VanDerWaalsContact O-N 3.14Å; L528-V551 HydrophobicContact CD2-CG2 4.21Å; L528-Q608 VanDerWaalsContact CD1-NE2 3.28Å
529	M	58.6	Low	66.9	Low	13 Å²	13	74.7 Å²	74.7	6%	0.064	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	125.5	177.6	-174.3	178.1	-72.4	0	0	112	Q527 V547 L598 V600 S610	Q527-M529 PolarHBondContact O-N 2.83Å; Q527-M529 VanDerWaalsContact O-N 3.14Å; M529-V547 HydrophobicContact CE-CB 4.4Å; M529-V547 HydrophobicContact CE-CG1 4.01Å; M529-V547 HydrophobicContact CE-CG2 3.57Å; M529-L598 HydrophobicContact CE-CD2 4.48Å; M529-L598 HydrophobicContact CG-CD2 4.43Å; M529-L598 HydrophobicContact SD-CB 4.38Å; M529-L598 HydrophobicContact SD-CD2 3.65Å; M529-L598 HydrophobicContact SD-CG 3.87Å; M529-V600 HydrophobicContact CE-CB 3.76Å; M529-V600 HydrophobicContact CE-CG1 4.47Å; M529-V600 HydrophobicContact CE-CG2 3.27Å; M529-V600 HydrophobicContact SD-CG2 3.97Å; M529-S610 WeakPolarHBondContact O-CB 3.45Å; M529-S610 PolarHBondContact O-OG 2.64Å
530	K	64.6	Low	67.2	Low	91 Å²	91	70.1 Å²	70.1	40%	0.396	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.3	171.8	-166.8	161.9	177.1	-180	0	110.6	Y532 W545 S610	K530-Y532 HydrophobicContact CB-CE2 3.87Å; K530-Y532 HydrophobicContact CD-CE1 3.93Å; K530-Y532 HydrophobicContact CG-CE1 3.95Å; K530-Y532 HydrophobicContact CG-CE2 4.06Å; K530-Y532 VanDerWaalsContact O-CD2 3.31Å; K530-Y532 WeakPolarHBondContact O-CD2 3.48Å; K530-Y532 VanDerWaalsContact O-CE2 3.22Å; K530-Y532 WeakPolarHBondContact O-CE2 3.39Å; K530-W545 WeakPolarHBondContact O-CA 3.15Å; K530-S610 WeakPolarHBondContact CA-OG 3.28Å
531	V	78.4	Confident	68.3	Low	7 Å²	7	67.2 Å²	67.2	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	135	172	-176.6	0	0	0	0	108.7	V543 W545 L598 S610 V612	V531-V543 HydrophobicContact CG1-CB 3.94Å; V531-V543 HydrophobicContact CG1-CG1 4.25Å; V531-W545 HydrophobicContact CG2-CB 4.38Å; V531-L598 HydrophobicContact CG2-CB 3.45Å; V531-L598 VanDerWaalsContact CG2-CB 3.45Å; V531-L598 HydrophobicContact CG2-CD2 4Å; V531-L598 HydrophobicContact CG2-CG 4.4Å; V531-S610 PolarHBondContact N-OG 3.11Å; V531-V612 HydrophobicContact CB-CG1 4.31Å; V531-V612 HydrophobicContact CG1-CG1 3.86Å
532	Y	81.4	Confident	69.6	Low	109 Å²	109	66.1 Å²	66.1	43%	0.427	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.6	177.2	-56.3	-87.8	0	0	0	109.3	K530 V543 S544	K530-Y532 HydrophobicContact CB-CE2 3.87Å; K530-Y532 HydrophobicContact CD-CE1 3.93Å; K530-Y532 HydrophobicContact CG-CE1 3.95Å; K530-Y532 HydrophobicContact CG-CE2 4.06Å; K530-Y532 VanDerWaalsContact O-CD2 3.31Å; K530-Y532 WeakPolarHBondContact O-CD2 3.48Å; K530-Y532 VanDerWaalsContact O-CE2 3.22Å; K530-Y532 WeakPolarHBondContact O-CE2 3.39Å; Y532-V543 CarbonylContact O-C 3.58Å; Y532-V543 VanDerWaalsContact O-CA 3.3Å; Y532-V543 WeakPolarHBondContact O-CA 3.45Å; Y532-S544 PolarHBondContact N-O 3.31Å; Y532-S544 PolarHBondContact O-N 2.79Å
533	V	83.1	Confident	71.1	Confident	52 Å²	52	63.5 Å²	63.5	32%	0.315	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.2	171.4	-179.5	0	0	0	0	108	T536 I541 V543 V612 V614	V533-T536 HydrophobicContact CG1-CG2 3.53Å; V533-I541 HydrophobicContact CG1-CG2 4.07Å; V533-V543 HydrophobicContact CG2-CG1 4.35Å; V533-V612 HydrophobicContact CG2-CG1 3.88Å; V533-V612 HydrophobicContact CG2-CG2 3.9Å; V533-V614 HydrophobicContact CG1-CG2 3.95Å; V533-V614 HydrophobicContact CG2-CB 3.93Å; V533-V614 HydrophobicContact CG2-CG1 4.41Å; V533-V614 HydrophobicContact CG2-CG2 3.97Å
534	K	82.8	Confident	72.6	Confident	118 Å²	118	60.3 Å²	60.3	51%	0.513	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-35	-178.3	-173.1	174.6	175	-177	0	112	L542 E582	K534-L542 HydrophobicContact CB-CD2 4.21Å; K534-L542 HydrophobicContact CB-CG 4.2Å; K534-L542 HydrophobicContact CD-CD2 3.88Å; K534-L542 HydrophobicContact CD-CG 4.46Å; K534-L542 HydrophobicContact CG-CD2 4.14Å; K534-L542 PolarHBondContact N-O 3.24Å; K534-E582 WeakPolarHBondContact CD-OE1 3.28Å; K534-E582 IonicContact NZ-OE1 3.84Å; K534-E582 PolarHBondContact NZ-OE1 2.86Å; K534-E582 IonicContact NZ-OE2 3.64Å; K534-E582 PolarHBondContact NZ-OE2 2.91Å
535	K	82.9	Confident	74.4	Confident	113 Å²	113	56.4 Å²	56.4	49%	0.491	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	140.4	176	-160.4	-173.7	-174.5	-165.4	0	111.1	E537 L542	K535-E537 HydrophobicContact CD-CG 4.34Å; K535-E537 WeakPolarHBondContact CE-OE1 3.38Å; K535-E537 IonicContact NZ-OE1 2.66Å; K535-E537 PolarHBondContact NZ-OE1 3.4Å; K535-L542 HydrophobicContact CB-CB 4.02Å; K535-L542 HydrophobicContact CB-CD2 4.46Å; K535-L542 PolarHBondContact N-O 3.09Å; K535-L542 PolarHBondContact O-N 2.93Å
536	T	85.2	Confident	75.4	Confident	31 Å²	31	60.6 Å²	60.6	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.3	168.3	55.8	0	0	0	0	110.9	V533 V614 K617	V533-T536 HydrophobicContact CG1-CG2 3.53Å; T536-V614 HydrophobicContact CG2-CG2 3.45Å; T536-V614 VanDerWaalsContact CG2-CG2 3.45Å; T536-K617 WeakPolarHBondContact O-CD 3.38Å; T536-K617 VanDerWaalsContact O-CE 3.23Å; T536-K617 WeakPolarHBondContact O-CE 3.47Å; T536-K617 PolarHBondContact O-NZ 2.73Å; T536-K617 WeakPolarHBondContact OG1-CE 3.01Å
537	E	86.7	Confident	76.3	Confident	75 Å²	75	57.5 Å²	57.5	35%	0.35	28%	0.276	S	S	.	.			trans	-127.9	-173.1	175.2	-56.4	-175.3	159.9	0	0	109.5	K535 S540 K617	K535-E537 HydrophobicContact CD-CG 4.34Å; K535-E537 WeakPolarHBondContact CE-OE1 3.38Å; K535-E537 IonicContact NZ-OE1 2.66Å; K535-E537 PolarHBondContact NZ-OE1 3.4Å; E537-S540 WeakPolarHBondContact CB-OG 3.49Å; E537-S540 VanDerWaalsContact CD-OG 3.26Å; E537-S540 WeakPolarHBondContact CG-OG 3.45Å; E537-S540 PolarHBondContact N-O 2.7Å; E537-S540 PolarHBondContact OE2-OG 3.4Å; E537-K617 PolarHBondContact O-N 2.87Å
538	S	81.4	Confident	76.5	Confident	37 Å²	37	54.2 Å²	54.2	26%	0.259	26%	0.263	S	S	.	.	S	Bend	trans	-75	-28.9	-179.6	54.4	0	0	0	0	113.6	P590 K617	S538-P590 WeakPolarHBondContact O-CA 3.41Å; S538-P590 WeakPolarHBondContact O-CG 3.34Å; S538-K617 WeakPolarHBondContact CA-O 3.33Å
539	H	82.6	Confident	76.2	Confident	93 Å²	93	56.3 Å²	56.3	43%	0.431	28%	0.279	S	S	.	.	S	Bend	trans	-132.4	8.6	-178.8	-59.3	84.2	0	0	0	113.3	T586 H587 L588 P590	H539-T586 CarbonylContact O-C 3.08Å; H539-H587 PolarHBondContact O-N 3.12Å; H539-H587 VanDerWaalsContact O-N 3.15Å; H539-L588 WeakPolarHBondContact CA-O 3.16Å; H539-L588 PolarHBondContact CD2-O 3.17Å; H539-L588 VanDerWaalsContact CD2-O 3.29Å; H539-L588 PolarHBondContact O-N 2.92Å; H539-L588 VanDerWaalsContact O-N 3.1Å; H539-P590 WeakPolarHBondContact NE2-CG 3.49Å
540	S	84.9	Confident	75.6	Confident	11 Å²	11	59.1 Å²	59.1	8%	0.077	30%	0.295	C	S	.	.			trans	-141.9	152.7	-179.2	87.3	0	0	0	0	113	E537 L585	E537-S540 WeakPolarHBondContact CB-OG 3.49Å; E537-S540 VanDerWaalsContact CD-OG 3.26Å; E537-S540 WeakPolarHBondContact CG-OG 3.45Å; E537-S540 PolarHBondContact N-O 2.7Å; E537-S540 PolarHBondContact OE2-OG 3.4Å; S540-L585 CarbonylContact C-O 3.57Å; S540-L585 WeakPolarHBondContact CA-O 3.36Å
541	I	85.8	Confident	74.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	119	172.8	-59.4	172.5	0	0	0	108.4	V533 V543 L585 L588 Y594 V614 T616	V533-I541 HydrophobicContact CG1-CG2 4.07Å; I541-V543 HydrophobicContact CG2-CG1 3.96Å; I541-L585 HydrophobicContact CB-CB 4.49Å; I541-L585 PolarHBondContact N-O 3.03Å; I541-L585 WeakPolarHBondContact O-CB 3.48Å; I541-L585 PolarHBondContact O-N 3.1Å; I541-L588 HydrophobicContact CB-CD1 4.06Å; I541-L588 HydrophobicContact CD1-CD1 3.51Å; I541-L588 HydrophobicContact CG1-CD1 3.59Å; I541-Y594 HydrophobicContact CD1-CD2 4.3Å; I541-V614 HydrophobicContact CD1-CB 4.3Å; I541-V614 HydrophobicContact CD1-CG1 3.64Å; I541-V614 HydrophobicContact CD1-CG2 3.77Å; I541-V614 HydrophobicContact CG1-CG2 4.3Å; I541-V614 HydrophobicContact CG2-CG1 4.3Å; I541-V614 HydrophobicContact CG2-CG2 4.03Å; I541-T616 HydrophobicContact CD1-CG2 3.92Å; I541-T616 HydrophobicContact CG1-CG2 4.07Å
542	L	84.8	Confident	73.2	Confident	41 Å²	41	60.3 Å²	60.3	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.8	172	-177.3	66.9	0	0	0	109.2	K534 K535 E582 N584	K534-L542 HydrophobicContact CB-CD2 4.21Å; K534-L542 HydrophobicContact CB-CG 4.2Å; K534-L542 HydrophobicContact CD-CD2 3.88Å; K534-L542 HydrophobicContact CD-CG 4.46Å; K534-L542 HydrophobicContact CG-CD2 4.14Å; K534-L542 PolarHBondContact N-O 3.24Å; K535-L542 HydrophobicContact CB-CB 4.02Å; K535-L542 HydrophobicContact CB-CD2 4.46Å; K535-L542 PolarHBondContact N-O 3.09Å; K535-L542 PolarHBondContact O-N 2.93Å; L542-E582 HydrophobicContact CD1-CB 4.5Å; L542-N584 HydrophobicContact CD1-CB 3.99Å
543	V	86.6	Confident	71.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	148.4	173.9	-66.1	0	0	0	0	111.1	V531 Y532 V533 I541 W545 M563 E582 Y583 L585 V596	V531-V543 HydrophobicContact CG1-CB 3.94Å; V531-V543 HydrophobicContact CG1-CG1 4.25Å; Y532-V543 CarbonylContact O-C 3.58Å; Y532-V543 VanDerWaalsContact O-CA 3.3Å; Y532-V543 WeakPolarHBondContact O-CA 3.45Å; V533-V543 HydrophobicContact CG2-CG1 4.35Å; I541-V543 HydrophobicContact CG2-CG1 3.96Å; V543-W545 HydrophobicContact CG2-CZ3 4.31Å; V543-M563 HydrophobicContact CG2-CE 3.63Å; V543-M563 HydrophobicContact CG2-SD 4.48Å; V543-E582 CarbonylContact O-C 3.56Å; V543-E582 VanDerWaalsContact O-CA 3.3Å; V543-E582 WeakPolarHBondContact O-CA 3.32Å; V543-Y583 WeakPolarHBondContact CG2-O 3.46Å; V543-Y583 PolarHBondContact N-O 2.76Å; V543-Y583 PolarHBondContact O-N 2.55Å; V543-L585 HydrophobicContact CG2-CD1 4.38Å; V543-V596 HydrophobicContact CG1-CG1 4.13Å; V543-V596 HydrophobicContact CG2-CG1 4.44Å
544	S	83.1	Confident	69.2	Low	23 Å²	23	63.1 Å²	63.1	16%	0.161	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.8	175.2	61.7	0	0	0	0	110.8	Y532 H581	Y532-S544 PolarHBondContact N-O 3.31Å; Y532-S544 PolarHBondContact O-N 2.79Å; S544-H581 CarbonylContact C-O 3.54Å; S544-H581 VanDerWaalsContact CA-O 3.27Å; S544-H581 WeakPolarHBondContact CA-O 3.2Å
545	W	78.7	Confident	67.2	Low	12 Å²	12	65.5 Å²	65.5	5%	0.045	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	156.8	179.1	57.2	90.7	0	0	0	111.8	K530 V531 V543 M563 V576 V580 H581 L598	K530-W545 WeakPolarHBondContact O-CA 3.15Å; V531-W545 HydrophobicContact CG2-CB 4.38Å; V543-W545 HydrophobicContact CG2-CZ3 4.31Å; W545-M563 HydrophobicContact CE3-CE 3.96Å; W545-M563 HydrophobicContact CH2-CE 4.04Å; W545-M563 HydrophobicContact CZ3-CE 3.46Å; W545-M563 VanDerWaalsContact CZ3-CE 3.46Å; W545-V576 HydrophobicContact CH2-CG1 3.98Å; W545-V576 HydrophobicContact CZ2-CG1 4.01Å; W545-V580 HydrophobicContact CH2-CG1 4.48Å; W545-V580 WeakPolarHBondContact CZ2-O 3.32Å; W545-V580 PolarHBondContact NE1-O 3.49Å; W545-H581 PolarHBondContact N-O 3.17Å; W545-L598 HydrophobicContact CB-CD2 3.96Å; W545-L598 HydrophobicContact CD2-CD2 3.45Å; W545-L598 VanDerWaalsContact CD2-CD2 3.45Å; W545-L598 HydrophobicContact CE3-CD2 3.99Å; W545-L598 HydrophobicContact CG-CD2 3.43Å; W545-L598 VanDerWaalsContact CG-CD2 3.43Å; W545-L598 HydrophobicContact CZ2-CD2 4.42Å
546	K	66.7	Low	65.2	Low	163 Å²	163	62.7 Å²	62.7	71%	0.709	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.4	167.5	-65.3	-174	177.3	-174.6	0	108.1
547	V	60.3	Low	63.2	Low	52 Å²	52	70.7 Å²	70.7	32%	0.315	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.2	175.9	-169.2	0	0	0	0	107.5	M529 S549	M529-V547 HydrophobicContact CE-CB 4.4Å; M529-V547 HydrophobicContact CE-CG1 4.01Å; M529-V547 HydrophobicContact CE-CG2 3.57Å; V547-S549 PolarHBondContact O-N 3.31Å
548	N	53.3	Low	61.1	Low	73 Å²	73	77.4 Å²	77.4	39%	0.39	40%	0.403	S	S	.	.			trans	-74.7	117.5	172.5	-105.2	15.4	0	0	0	109.1	L528 N550	L528-N548 HydrophobicContact CD2-CB 3.88Å; L528-N548 PolarHBondContact O-N 3.5Å; L528-N548 VanDerWaalsContact O-N 3.14Å; N548-N550 VanDerWaalsContact C-N 3.28Å; N548-N550 PolarHBondContact O-N 2.83Å
549	S	47.8	Very low	59.6	Low	68 Å²	68	76.4 Å²	76.4	48%	0.476	40%	0.396	S	S	.	.			trans	-74.3	-6.2	-163.3	43	0	0	0	0	116	V547 V551 M552	V547-S549 PolarHBondContact O-N 3.31Å; S549-V551 PolarHBondContact O-N 2.97Å; S549-M552 PolarHBondContact O-N 2.61Å
550	N	46.3	Very low	58.3	Low	73 Å²	73	74.6 Å²	74.6	39%	0.39	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	0.7	-174.3	-73.9	-5	0	0	0	116.8	G466 N548	G466-N550 VanDerWaalsContact CA-CG 3.49Å; G466-N550 WeakPolarHBondContact CA-ND2 3.42Å; G466-N550 WeakPolarHBondContact CA-OD1 3.45Å; G466-N550 PolarHBondContact N-ND2 2.96Å; N548-N550 VanDerWaalsContact C-N 3.28Å; N548-N550 PolarHBondContact O-N 2.83Å
551	V	46.1	Very low	57.1	Low	80 Å²	80	74.5 Å²	74.5	49%	0.485	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	1	178.4	-164.5	0	0	0	0	112.1	L528 S549 N602	L528-V551 HydrophobicContact CD2-CG2 4.21Å; S549-V551 PolarHBondContact O-N 2.97Å; V551-N602 PolarHBondContact O-ND2 2.68Å
552	M	46.2	Very low	56.1	Low	43 Å²	43	76.2 Å²	76.2	21%	0.212	40%	0.404	C	S	.	.	S	Bend	trans	-138.8	23.2	-168.7	-83.3	-161.7	167.3	0	0	116.4	S549 L556 V600 N602	S549-M552 PolarHBondContact O-N 2.61Å; M552-L556 HydrophobicContact CB-CD1 3.91Å; M552-L556 HydrophobicContact CE-CD1 4.48Å; M552-L556 HydrophobicContact CG-CD1 3.8Å; M552-L556 HydrophobicContact SD-CD1 4.07Å; M552-V600 HydrophobicContact CE-CG1 3.75Å; M552-V600 HydrophobicContact SD-CG1 4.37Å; M552-N602 HydrophobicContact CE-CB 3.93Å
553	T	42.3	Very low	55.3	Low	121 Å²	121	74.3 Å²	74.3	74%	0.742	39%	0.394	S	S	*	.			trans	-120.7	62.2	176	58.9	0	0	0	0	114.3
554	S	38.2	Very low	54.8	Low	99 Å²	99	77.9 Å²	77.9	69%	0.692	41%	0.409	S	S	*	.	S	Bend	trans	-142.3	101.6	151.4	50.3	0	0	0	0	110.3	L556	S554-L556 PolarHBondContact O-N 3.12Å
555	N	41.3	Very low	54.3	Low	167 Å²	167	77 Å²	77	89%	0.893	40%	0.403	S	S	*	.	S	Bend	trans	61.2	37.3	169.1	-64	-25.3	0	0	0	119	K557	N555-K557 PolarHBondContact O-N 3.19Å
556	L	41.8	Very low	54	Low	55 Å²	55	78.8 Å²	78.8	29%	0.288	41%	0.413	S	S	.	.			trans	-77.8	113.2	166.3	-88.7	159	0	0	0	111.7	M552 S554 I603	M552-L556 HydrophobicContact CB-CD1 3.91Å; M552-L556 HydrophobicContact CE-CD1 4.48Å; M552-L556 HydrophobicContact CG-CD1 3.8Å; M552-L556 HydrophobicContact SD-CD1 4.07Å; S554-L556 PolarHBondContact O-N 3.12Å; L556-I603 HydrophobicContact CD2-CD1 3.92Å; L556-I603 HydrophobicContact CD2-CG1 3.98Å; L556-I603 HydrophobicContact CG-CD1 4.04Å
557	K	42.2	Very low	54.2	Low	198 Å²	198	72 Å²	72	86%	0.861	39%	0.385	S	S	*	.	S	Bend	trans	-83.7	-22.9	166.9	-73.5	-170.7	176.7	-178.4	0	113.3	N555	N555-K557 PolarHBondContact O-N 3.19Å
558	W	42.2	Very low	54.5	Low	217 Å²	217	75.3 Å²	75.3	82%	0.822	41%	0.407	S	S	*	.			trans	-164.7	126.8	172.6	19.6	-94.2	0	0	0	110.6
559	S	50	Low	54.9	Low	15 Å²	15	79.6 Å²	79.6	11%	0.105	43%	0.425	C	S	.	.			trans	-114.1	146.1	155.9	39.2	0	0	0	0	108.3	V578	S559-V578 VanDerWaalsContact N-CG2 3.3Å; S559-V578 WeakPolarHBondContact O-CG2 3.32Å; S559-V578 WeakPolarHBondContact OG-CG2 3.06Å
560	S	55.8	Low	55.6	Low	56 Å²	56	81.1 Å²	81.1	39%	0.392	43%	0.426	S	S	.	.			trans	-107.5	111.1	-178.8	62.5	0	0	0	0	109.9
561	A	59.3	Low	56.8	Low	8 Å²	8	81.3 Å²	81.3	7%	0.066	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.7	167.5	0	0	0	0	0	108.2	R575 V576 L598 T599 V600	A561-R575 CarbonylContact O-C 3.58Å; A561-R575 WeakPolarHBondContact O-CA 3.44Å; A561-V576 HydrophobicContact CB-CB 4.37Å; A561-V576 PolarHBondContact N-O 2.67Å; A561-V576 VanDerWaalsContact N-O 3.14Å; A561-V576 PolarHBondContact O-N 2.85Å; A561-L598 HydrophobicContact CB-CD1 3.85Å; A561-T599 CarbonylContact C-O 3.54Å; A561-T599 WeakPolarHBondContact CA-O 3.03Å; A561-V600 HydrophobicContact CB-CG2 3.71Å
562	T	65.4	Low	58	Low	37 Å²	37	83.2 Å²	83.2	23%	0.227	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.1	176	-56.6	0	0	0	0	109.1	A574 T599	T562-A574 CarbonylContact C-O 3.57Å; T562-A574 WeakPolarHBondContact CA-O 3.38Å; T562-T599 PolarHBondContact N-O 2.81Å; T562-T599 PolarHBondContact O-N 2.92Å; T562-T599 PolarHBondContact O-OG1 2.69Å
563	M	68.4	Low	59.4	Low	1 Å²	1	85.3 Å²	85.3	1%	0.005	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.1	172.3	-168.1	71	76.1	0	0	108.2	V543 W545 T573 A574 L585 V596 C597 L598	V543-M563 HydrophobicContact CG2-CE 3.63Å; V543-M563 HydrophobicContact CG2-SD 4.48Å; W545-M563 HydrophobicContact CE3-CE 3.96Å; W545-M563 HydrophobicContact CH2-CE 4.04Å; W545-M563 HydrophobicContact CZ3-CE 3.46Å; W545-M563 VanDerWaalsContact CZ3-CE 3.46Å; M563-T573 CarbonylContact O-C 3.11Å; M563-T573 VanDerWaalsContact O-CA 3.27Å; M563-T573 WeakPolarHBondContact O-CA 3.08Å; M563-A574 PolarHBondContact N-O 3.22Å; M563-A574 PolarHBondContact O-N 2.89Å; M563-L585 HydrophobicContact CG-CD2 4.23Å; M563-V596 HydrophobicContact CG-CG1 4.23Å; M563-V596 HydrophobicContact SD-CG1 3.56Å; M563-V596 VanDerWaalsContact SD-CG1 3.56Å; M563-C597 CarbonylContact C-O 3.57Å; M563-C597 WeakPolarHBondContact CA-O 3.44Å; M563-L598 HydrophobicContact CE-CB 4.29Å; M563-L598 HydrophobicContact CE-CD1 3.82Å; M563-L598 HydrophobicContact CE-CG 4.47Å; M563-L598 HydrophobicContact SD-CB 4.03Å; M563-L598 HydrophobicContact SD-CD1 4.13Å
564	K	75.3	Confident	60.8	Low	74 Å²	74	79.9 Å²	79.9	32%	0.322	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.1	171.3	-173.9	-170.9	-176.9	-161.5	0	109.2	D566 T571 Y572 T573 C597	K564-D566 WeakPolarHBondContact CE-OD2 3.39Å; K564-D566 VanDerWaalsContact NZ-CG 3.3Å; K564-D566 IonicContact NZ-OD1 3.32Å; K564-D566 IonicContact NZ-OD2 3.9Å; K564-D566 PolarHBondContact NZ-OD2 3.17Å; K564-T571 HydrophobicContact CD-CG2 4.36Å; K564-T571 HydrophobicContact CG-CG2 4.17Å; K564-Y572 CarbonylContact C-O 3.49Å; K564-Y572 WeakPolarHBondContact CA-O 3.42Å; K564-T573 HydrophobicContact CB-CG2 4.19Å; K564-T573 HydrophobicContact CG-CG2 3.98Å; K564-C597 PolarHBondContact N-O 3.45Å; K564-C597 PolarHBondContact O-N 3.01Å
565	I	72.6	Confident	62.5	Low	6 Å²	6	84.9 Å²	84.9	3%	0.031	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.9	161.8	-44	175.5	0	0	0	107.4	T571 Y572 L585 L588 Y594 E595 V596	I565-T571 WeakPolarHBondContact O-CA 3.49Å; I565-T571 WeakPolarHBondContact O-CG2 3.4Å; I565-Y572 HydrophobicContact CD1-CD1 4.02Å; I565-Y572 HydrophobicContact CG1-CD1 4.34Å; I565-Y572 PolarHBondContact N-O 3.44Å; I565-Y572 PolarHBondContact O-N 3.18Å; I565-L585 HydrophobicContact CD1-CB 4.22Å; I565-L585 HydrophobicContact CD1-CD1 3.98Å; I565-L585 HydrophobicContact CD1-CD2 3.88Å; I565-L585 HydrophobicContact CD1-CG 4.24Å; I565-L585 HydrophobicContact CG1-CD1 4.11Å; I565-L585 HydrophobicContact CG1-CD2 4.2Å; I565-L588 HydrophobicContact CD1-CD2 3.93Å; I565-Y594 HydrophobicContact CG2-CD1 3.56Å; I565-Y594 HydrophobicContact CG2-CE1 4.49Å; I565-Y594 HydrophobicContact CG2-CG 4.05Å; I565-E595 CarbonylContact C-O 3.57Å; I565-E595 WeakPolarHBondContact CA-O 3.37Å; I565-V596 HydrophobicContact CG2-CG2 4.44Å
566	D	71.6	Confident	63.8	Low	48 Å²	48	77.1 Å²	77.1	26%	0.257	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.6	168.7	-125.2	-5.8	0	0	0	111.9	K564 T571 E595	K564-D566 WeakPolarHBondContact CE-OD2 3.39Å; K564-D566 VanDerWaalsContact NZ-CG 3.3Å; K564-D566 IonicContact NZ-OD1 3.32Å; K564-D566 IonicContact NZ-OD2 3.9Å; K564-D566 PolarHBondContact NZ-OD2 3.17Å; D566-T571 WeakPolarHBondContact OD1-CG2 3.36Å; D566-T571 PolarHBondContact OD1-OG1 3.2Å; D566-E595 PolarHBondContact N-O 2.77Å; D566-E595 PolarHBondContact O-N 3.35Å
567	N	71.4	Confident	64.9	Low	20 Å²	20	78 Å²	78	11%	0.107	38%	0.384	C	S	.	.			trans	-154.7	144.6	175.1	169.9	-63.4	0	0	0	106.8	H569 I570 T592 E593 Y594	N567-H569 PolarHBondContact O-N 3.43Å; N567-H569 PolarHBondContact OD1-N 2.96Å; N567-I570 PolarHBondContact N-O 2.86Å; N567-I570 PolarHBondContact O-N 3.1Å; N567-T592 WeakPolarHBondContact ND2-CG2 2.9Å; N567-E593 PolarHBondContact ND2-O 2.78Å; N567-Y594 HydrophobicContact CB-CD1 3.69Å; N567-Y594 HydrophobicContact CB-CE1 3.83Å
568	P	68.2	Low	65.7	Low	122 Å²	122	72.1 Å²	72.1	79%	0.792	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-12.7	-177.5	19.7	-33.9	0	0	0	116.4
569	H	61.3	Low	66.5	Low	163 Å²	163	67.8 Å²	67.8	76%	0.755	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-27	178	-60.7	-52.7	0	0	0	115.3	N567	N567-H569 PolarHBondContact O-N 3.43Å; N567-H569 PolarHBondContact OD1-N 2.96Å
570	I	62.3	Low	67.3	Low	100 Å²	100	69.3 Å²	69.3	51%	0.513	37%	0.366	S	S	.	.			trans	-147.8	124.5	-176.2	-55.7	179.6	0	0	0	110	N567	N567-I570 PolarHBondContact N-O 2.86Å; N567-I570 PolarHBondContact O-N 3.1Å
571	T	71.5	Confident	68.1	Low	78 Å²	78	71 Å²	71	48%	0.479	37%	0.367	S	S	.	.			trans	-104.7	133	168.8	-52	0	0	0	0	109.5	K564 I565 D566	K564-T571 HydrophobicContact CD-CG2 4.36Å; K564-T571 HydrophobicContact CG-CG2 4.17Å; I565-T571 WeakPolarHBondContact O-CA 3.49Å; I565-T571 WeakPolarHBondContact O-CG2 3.4Å; D566-T571 WeakPolarHBondContact OD1-CG2 3.36Å; D566-T571 PolarHBondContact OD1-OG1 3.2Å
572	Y	70.1	Confident	69.2	Low	120 Å²	120	74.6 Å²	74.6	47%	0.471	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.7	177.6	178.9	-99.7	0	0	0	111.1	K564 I565 A574	K564-Y572 CarbonylContact C-O 3.49Å; K564-Y572 WeakPolarHBondContact CA-O 3.42Å; I565-Y572 HydrophobicContact CD1-CD1 4.02Å; I565-Y572 HydrophobicContact CG1-CD1 4.34Å; I565-Y572 PolarHBondContact N-O 3.44Å; I565-Y572 PolarHBondContact O-N 3.18Å; Y572-A574 HydrophobicContact CE1-CB 3.75Å
573	T	76.9	Confident	69.9	Low	87 Å²	87	75.9 Å²	75.9	53%	0.534	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.1	177.1	55.6	0	0	0	0	111.9	M563 K564	M563-T573 CarbonylContact O-C 3.11Å; M563-T573 VanDerWaalsContact O-CA 3.27Å; M563-T573 WeakPolarHBondContact O-CA 3.08Å; K564-T573 HydrophobicContact CB-CG2 4.19Å; K564-T573 HydrophobicContact CG-CG2 3.98Å
574	A	72.3	Confident	70.7	Confident	7 Å²	7	79.5 Å²	79.5	6%	0.058	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146	172	0	0	0	0	0	111.1	T562 M563 Y572 Y583	T562-A574 CarbonylContact C-O 3.57Å; T562-A574 WeakPolarHBondContact CA-O 3.38Å; M563-A574 PolarHBondContact N-O 3.22Å; M563-A574 PolarHBondContact O-N 2.89Å; Y572-A574 HydrophobicContact CE1-CB 3.75Å; A574-Y583 HydrophobicContact CB-CE1 4.17Å; A574-Y583 WeakPolarHBondContact CB-OH 3.23Å
575	R	71.9	Confident	71	Confident	204 Å²	204	76.2 Å²	76.2	77%	0.77	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.7	167.9	-70.1	-177.4	-178.4	164.5	1.3	109.4	A561	A561-R575 CarbonylContact O-C 3.58Å; A561-R575 WeakPolarHBondContact O-CA 3.44Å
576	V	69.9	Low	71.4	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.024	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.8	-177	-169.6	0	0	0	0	109.5	W545 A561 V580 Y583	W545-V576 HydrophobicContact CH2-CG1 3.98Å; W545-V576 HydrophobicContact CZ2-CG1 4.01Å; A561-V576 HydrophobicContact CB-CB 4.37Å; A561-V576 PolarHBondContact N-O 2.67Å; A561-V576 VanDerWaalsContact N-O 3.14Å; A561-V576 PolarHBondContact O-N 2.85Å; V576-V580 HydrophobicContact CG1-CB 3.67Å; V576-V580 HydrophobicContact CG1-CG1 3.59Å; V576-V580 HydrophobicContact CG1-CG2 4.43Å; V576-Y583 HydrophobicContact CG1-CD2 4.13Å; V576-Y583 HydrophobicContact CG2-CD2 3.77Å; V576-Y583 HydrophobicContact CG2-CE2 3.91Å; V576-Y583 HydrophobicContact CG2-CG 4.21Å
577	P	64.4	Low	71.8	Confident	73 Å²	73	85.7 Å²	85.7	47%	0.474	44%	0.437	S	S	.	.			trans	-61.1	161.7	171.1	-24.8	36.4	0	0	0	114	D579 V580	P577-D579 WeakPolarHBondContact CB-OD1 3.45Å; P577-V580 HydrophobicContact CB-CG2 4.21Å; P577-V580 HydrophobicContact CG-CG2 4.36Å; P577-V580 PolarHBondContact O-N 2.83Å
578	V	59.1	Low	72.3	Confident	74 Å²	74	85.5 Å²	85.5	45%	0.448	44%	0.435	S	S	.	.	S	Bend	trans	-69.8	-36	-174.1	-163.8	0	0	0	0	113.1	S559 V580	S559-V578 VanDerWaalsContact N-CG2 3.3Å; S559-V578 WeakPolarHBondContact O-CG2 3.32Å; S559-V578 WeakPolarHBondContact OG-CG2 3.06Å; V578-V580 VanDerWaalsContact C-N 3.3Å
579	D	59.2	Low	72.8	Confident	127 Å²	127	84.7 Å²	84.7	68%	0.679	42%	0.421	S	S	*	.	S	Bend	trans	-73.8	-21.5	-178	53.4	-53.5	0	0	0	112.7	P577 H581	P577-D579 WeakPolarHBondContact CB-OD1 3.45Å; D579-H581 PolarHBondContact O-ND1 3.28Å
580	V	66.3	Low	73.9	Confident	46 Å²	46	78.9 Å²	78.9	28%	0.279	40%	0.398	S	S	.	.			trans	-80.6	123.3	176.9	176.9	0	0	0	0	109.8	W545 V576 P577 V578 E582	W545-V580 HydrophobicContact CH2-CG1 4.48Å; W545-V580 WeakPolarHBondContact CZ2-O 3.32Å; W545-V580 PolarHBondContact NE1-O 3.49Å; V576-V580 HydrophobicContact CG1-CB 3.67Å; V576-V580 HydrophobicContact CG1-CG1 3.59Å; V576-V580 HydrophobicContact CG1-CG2 4.43Å; P577-V580 HydrophobicContact CB-CG2 4.21Å; P577-V580 HydrophobicContact CG-CG2 4.36Å; P577-V580 PolarHBondContact O-N 2.83Å; V578-V580 VanDerWaalsContact C-N 3.3Å; V580-E582 WeakPolarHBondContact CG1-O 3.44Å
581	H	72.5	Confident	74.9	Confident	91 Å²	91	77.2 Å²	77.2	42%	0.421	40%	0.395	S	S	.	.			trans	-113.2	-3.5	-179.6	-70.5	72.6	0	0	0	113.4	S544 W545 D579	S544-H581 CarbonylContact C-O 3.54Å; S544-H581 VanDerWaalsContact CA-O 3.27Å; S544-H581 WeakPolarHBondContact CA-O 3.2Å; W545-H581 PolarHBondContact N-O 3.17Å; D579-H581 PolarHBondContact O-ND1 3.28Å
582	E	81.8	Confident	75.4	Confident	84 Å²	84	74.9 Å²	74.9	39%	0.393	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.7	177.1	-50.3	-161.1	162.9	0	0	110.2	K534 L542 V543 V580	K534-E582 WeakPolarHBondContact CD-OE1 3.28Å; K534-E582 IonicContact NZ-OE1 3.84Å; K534-E582 PolarHBondContact NZ-OE1 2.86Å; K534-E582 IonicContact NZ-OE2 3.64Å; K534-E582 PolarHBondContact NZ-OE2 2.91Å; L542-E582 HydrophobicContact CD1-CB 4.5Å; V543-E582 CarbonylContact O-C 3.56Å; V543-E582 VanDerWaalsContact O-CA 3.3Å; V543-E582 WeakPolarHBondContact O-CA 3.32Å; V580-E582 WeakPolarHBondContact CG1-O 3.44Å
583	Y	80.9	Confident	76.1	Confident	64 Å²	64	74.3 Å²	74.3	25%	0.251	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	133.2	-179.8	-163	-98.2	0	0	0	111.3	V543 A574 V576 L585	V543-Y583 WeakPolarHBondContact CG2-O 3.46Å; V543-Y583 PolarHBondContact N-O 2.76Å; V543-Y583 PolarHBondContact O-N 2.55Å; A574-Y583 HydrophobicContact CB-CE1 4.17Å; A574-Y583 WeakPolarHBondContact CB-OH 3.23Å; V576-Y583 HydrophobicContact CG1-CD2 4.13Å; V576-Y583 HydrophobicContact CG2-CD2 3.77Å; V576-Y583 HydrophobicContact CG2-CE2 3.91Å; V576-Y583 HydrophobicContact CG2-CG 4.21Å; Y583-L585 HydrophobicContact CD1-CD2 3.58Å; Y583-L585 HydrophobicContact CD1-CG 4.22Å; Y583-L585 HydrophobicContact CE1-CD2 3.7Å
584	N	84.5	Confident	76.4	Confident	78 Å²	78	70.7 Å²	70.7	42%	0.417	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113	179.6	-168	8.8	0	0	0	110.2	L542	L542-N584 HydrophobicContact CD1-CB 3.99Å
585	L	82.1	Confident	77	Confident	5 Å²	5	73.5 Å²	73.5	3%	0.026	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.8	176.2	-57.3	167.9	0	0	0	108	S540 I541 V543 M563 I565 Y583 L588 V596	S540-L585 CarbonylContact C-O 3.57Å; S540-L585 WeakPolarHBondContact CA-O 3.36Å; I541-L585 HydrophobicContact CB-CB 4.49Å; I541-L585 PolarHBondContact N-O 3.03Å; I541-L585 WeakPolarHBondContact O-CB 3.48Å; I541-L585 PolarHBondContact O-N 3.1Å; V543-L585 HydrophobicContact CG2-CD1 4.38Å; M563-L585 HydrophobicContact CG-CD2 4.23Å; I565-L585 HydrophobicContact CD1-CB 4.22Å; I565-L585 HydrophobicContact CD1-CD1 3.98Å; I565-L585 HydrophobicContact CD1-CD2 3.88Å; I565-L585 HydrophobicContact CD1-CG 4.24Å; I565-L585 HydrophobicContact CG1-CD1 4.11Å; I565-L585 HydrophobicContact CG1-CD2 4.2Å; Y583-L585 HydrophobicContact CD1-CD2 3.58Å; Y583-L585 HydrophobicContact CD1-CG 4.22Å; Y583-L585 HydrophobicContact CE1-CD2 3.7Å; L585-L588 HydrophobicContact CB-CD1 4.11Å; L585-V596 HydrophobicContact CD1-CB 4.46Å; L585-V596 HydrophobicContact CD1-CG1 3.73Å; L585-V596 HydrophobicContact CD1-CG2 3.78Å
586	T	82.2	Confident	77.5	Confident	74 Å²	74	63.9 Å²	63.9	45%	0.454	34%	0.335	S	S	.	.			trans	-113.6	172.7	-176.1	58.2	0	0	0	0	112	H539 L588	H539-T586 CarbonylContact O-C 3.08Å; T586-L588 VanDerWaalsContact C-N 3.25Å; T586-L588 PolarHBondContact O-N 3.02Å
587	H	79.3	Confident	78.1	Confident	179 Å²	179	63.8 Å²	63.8	83%	0.829	33%	0.334	S	S	*	.	S	Bend	trans	62	26.5	-179.6	-52.2	-78.7	0	0	0	114.9	H539	H539-H587 PolarHBondContact O-N 3.12Å; H539-H587 VanDerWaalsContact O-N 3.15Å
588	L	81.3	Confident	78.8	Confident	15 Å²	15	60.3 Å²	60.3	8%	0.079	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-79.2	155.6	175	-59.2	174.6	0	0	0	111	H539 I541 I565 L585 T586 Y594 T616	H539-L588 WeakPolarHBondContact CA-O 3.16Å; H539-L588 PolarHBondContact CD2-O 3.17Å; H539-L588 VanDerWaalsContact CD2-O 3.29Å; H539-L588 PolarHBondContact O-N 2.92Å; H539-L588 VanDerWaalsContact O-N 3.1Å; I541-L588 HydrophobicContact CB-CD1 4.06Å; I541-L588 HydrophobicContact CD1-CD1 3.51Å; I541-L588 HydrophobicContact CG1-CD1 3.59Å; I565-L588 HydrophobicContact CD1-CD2 3.93Å; L585-L588 HydrophobicContact CB-CD1 4.11Å; T586-L588 VanDerWaalsContact C-N 3.25Å; T586-L588 PolarHBondContact O-N 3.02Å; L588-Y594 HydrophobicContact CB-CE2 3.97Å; L588-Y594 HydrophobicContact CD2-CD1 4.41Å; L588-Y594 HydrophobicContact CD2-CE1 4.04Å; L588-Y594 HydrophobicContact CD2-CE2 4.21Å; L588-Y594 HydrophobicContact CG-CE2 4.46Å; L588-T616 HydrophobicContact CB-CG2 3.93Å; L588-T616 HydrophobicContact CD1-CG2 4.22Å
589	Q	80.1	Confident	79.5	Confident	106 Å²	106	58.5 Å²	58.5	50%	0.495	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-80.7	142.7	175.7	-68.3	-172.9	-18.7	0	0	110.5	T592 Y594 T616	Q589-T592 WeakPolarHBondContact O-CB 3.46Å; Q589-Y594 PolarHBondContact N-OH 3.11Å; Q589-T616 WeakPolarHBondContact O-CB 3.29Å; Q589-T616 PolarHBondContact O-OG1 2.04Å
590	P	84.4	Confident	80	Confident	40 Å²	40	53.5 Å²	53.5	26%	0.26	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	154.5	175.3	-20.6	32.7	0	0	0	113.6	S538 H539 T592 T616 K617 A619	S538-P590 WeakPolarHBondContact O-CA 3.41Å; S538-P590 WeakPolarHBondContact O-CG 3.34Å; H539-P590 WeakPolarHBondContact NE2-CG 3.49Å; P590-T592 PolarHBondContact O-N 3.13Å; P590-T592 VanDerWaalsContact O-N 3.11Å; P590-T592 PolarHBondContact O-OG1 3.32Å; P590-T616 VanDerWaalsContact C-OG1 3.3Å; P590-T616 WeakPolarHBondContact CA-OG1 3.49Å; P590-K617 WeakPolarHBondContact CB-O 3.34Å; P590-A619 HydrophobicContact CB-CB 3.72Å; P590-A619 HydrophobicContact CG-CB 3.52Å
591	S	82.2	Confident	79.7	Confident	66 Å²	66	53.6 Å²	53.6	46%	0.462	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	30.2	178.6	-67.2	0	0	0	0	115	T616 K617 H618	S591-T616 WeakPolarHBondContact CA-O 3.41Å; S591-T616 PolarHBondContact N-O 2.76Å; S591-T616 PolarHBondContact N-OG1 2.83Å; S591-T616 VanDerWaalsContact N-OG1 3.08Å; S591-K617 PolarHBondContact N-O 2.87Å; S591-K617 VanDerWaalsContact N-O 3.15Å; S591-H618 WeakPolarHBondContact OG-CA 3.03Å; S591-H618 WeakPolarHBondContact OG-CB 3.48Å; S591-H618 PolarHBondContact OG-ND1 2.77Å
592	T	81.8	Confident	78.9	Confident	28 Å²	28	50.6 Å²	50.6	17%	0.172	27%	0.265	C	S	.	.			trans	-118.6	136.5	-173.1	-58.9	0	0	0	0	110.2	N567 Q589 P590 Y594 T615 T616	N567-T592 WeakPolarHBondContact ND2-CG2 2.9Å; Q589-T592 WeakPolarHBondContact O-CB 3.46Å; P590-T592 PolarHBondContact O-N 3.13Å; P590-T592 VanDerWaalsContact O-N 3.11Å; P590-T592 PolarHBondContact O-OG1 3.32Å; T592-Y594 HydrophobicContact CG2-CD2 4.4Å; T592-Y594 HydrophobicContact CG2-CE1 4.27Å; T592-Y594 HydrophobicContact CG2-CE2 3.71Å; T592-Y594 WeakPolarHBondContact O-CD2 3.45Å; T592-T615 WeakPolarHBondContact O-CA 3.4Å; T592-T616 PolarHBondContact N-OG1 2.94Å; T592-T616 PolarHBondContact O-N 2.9Å; T592-T616 PolarHBondContact O-OG1 2.95Å
593	E	85.1	Confident	77.2	Confident	108 Å²	108	52.1 Å²	52.1	51%	0.505	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.2	175.5	-169.8	177.9	-179.5	0	0	111.3	N567 N613	N567-E593 PolarHBondContact ND2-O 2.78Å; E593-N613 PolarHBondContact OE1-ND2 2.79Å
594	Y	82.2	Confident	75.7	Confident	11 Å²	11	56.4 Å²	56.4	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.2	179.1	-66.8	-79.1	0	0	0	110.1	I541 I565 N567 L588 Q589 T592 N613 V614 T616	I541-Y594 HydrophobicContact CD1-CD2 4.3Å; I565-Y594 HydrophobicContact CG2-CD1 3.56Å; I565-Y594 HydrophobicContact CG2-CE1 4.49Å; I565-Y594 HydrophobicContact CG2-CG 4.05Å; N567-Y594 HydrophobicContact CB-CD1 3.69Å; N567-Y594 HydrophobicContact CB-CE1 3.83Å; L588-Y594 HydrophobicContact CB-CE2 3.97Å; L588-Y594 HydrophobicContact CD2-CD1 4.41Å; L588-Y594 HydrophobicContact CD2-CE1 4.04Å; L588-Y594 HydrophobicContact CD2-CE2 4.21Å; L588-Y594 HydrophobicContact CG-CE2 4.46Å; Q589-Y594 PolarHBondContact N-OH 3.11Å; T592-Y594 HydrophobicContact CG2-CD2 4.4Å; T592-Y594 HydrophobicContact CG2-CE1 4.27Å; T592-Y594 HydrophobicContact CG2-CE2 3.71Å; T592-Y594 WeakPolarHBondContact O-CD2 3.45Å; Y594-N613 WeakPolarHBondContact O-CA 3.48Å; Y594-V614 PolarHBondContact N-O 2.96Å; Y594-V614 PolarHBondContact O-N 2.68Å; Y594-T616 HydrophobicContact CD2-CG2 4.1Å; Y594-T616 HydrophobicContact CE2-CG2 3.84Å
595	E	84.8	Confident	74.1	Confident	67 Å²	67	60.8 Å²	60.8	31%	0.313	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.3	162.8	-173.4	-170.3	-144.6	0	0	107.8	I565 D566 C611	I565-E595 CarbonylContact C-O 3.57Å; I565-E595 WeakPolarHBondContact CA-O 3.37Å; D566-E595 PolarHBondContact N-O 2.77Å; D566-E595 PolarHBondContact O-N 3.35Å; E595-C611 HydrophobicContact CG-CB 4.16Å
596	V	84.3	Confident	72.8	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.7	175.9	-179.5	0	0	0	0	108.9	V543 M563 I565 L585 C611 V612 V614	V543-V596 HydrophobicContact CG1-CG1 4.13Å; V543-V596 HydrophobicContact CG2-CG1 4.44Å; M563-V596 HydrophobicContact CG-CG1 4.23Å; M563-V596 HydrophobicContact SD-CG1 3.56Å; M563-V596 VanDerWaalsContact SD-CG1 3.56Å; I565-V596 HydrophobicContact CG2-CG2 4.44Å; L585-V596 HydrophobicContact CD1-CB 4.46Å; L585-V596 HydrophobicContact CD1-CG1 3.73Å; L585-V596 HydrophobicContact CD1-CG2 3.78Å; V596-C611 CarbonylContact O-C 3.5Å; V596-C611 VanDerWaalsContact O-CA 3.29Å; V596-C611 WeakPolarHBondContact O-CA 3.38Å; V596-V612 HydrophobicContact CB-CG1 4.22Å; V596-V612 PolarHBondContact N-O 3.01Å; V596-V612 PolarHBondContact O-N 3.16Å; V596-V614 HydrophobicContact CG2-CG1 3.69Å
597	C	81.5	Confident	71.8	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.014	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.8	-178.5	-68.2	0	0	0	0	112	M563 K564 K609 S610 C611	M563-C597 CarbonylContact C-O 3.57Å; M563-C597 WeakPolarHBondContact CA-O 3.44Å; K564-C597 PolarHBondContact N-O 3.45Å; K564-C597 PolarHBondContact O-N 3.01Å; C597-K609 HydrophobicContact CB-CG 4.46Å; C597-K609 WeakPolarHBondContact SG-CE 3.47Å; C597-K609 PolarHBondContact SG-NZ 2.68Å; C597-S610 CarbonylContact C-O 3.28Å; C597-S610 WeakPolarHBondContact CA-O 3.37Å; C597-C611 HydrophobicContact CB-CB 4.14Å; C597-C611 WeakPolarHBondContact CB-SG 3.25Å; C597-C611 WeakPolarHBondContact SG-CB 3.15Å; C597-C611 CovalentContact SG-SG 2.04Å; C597-C611 PolarHBondContact SG-SG 3.08Å
598	L	80.2	Confident	71.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.9	166.4	-172.9	57.7	0	0	0	109.4	M529 V531 W545 A561 M563 V600 K609 S610	M529-L598 HydrophobicContact CE-CD2 4.48Å; M529-L598 HydrophobicContact CG-CD2 4.43Å; M529-L598 HydrophobicContact SD-CB 4.38Å; M529-L598 HydrophobicContact SD-CD2 3.65Å; M529-L598 HydrophobicContact SD-CG 3.87Å; V531-L598 HydrophobicContact CG2-CB 3.45Å; V531-L598 VanDerWaalsContact CG2-CB 3.45Å; V531-L598 HydrophobicContact CG2-CD2 4Å; V531-L598 HydrophobicContact CG2-CG 4.4Å; W545-L598 HydrophobicContact CB-CD2 3.96Å; W545-L598 HydrophobicContact CD2-CD2 3.45Å; W545-L598 VanDerWaalsContact CD2-CD2 3.45Å; W545-L598 HydrophobicContact CE3-CD2 3.99Å; W545-L598 HydrophobicContact CG-CD2 3.43Å; W545-L598 VanDerWaalsContact CG-CD2 3.43Å; W545-L598 HydrophobicContact CZ2-CD2 4.42Å; A561-L598 HydrophobicContact CB-CD1 3.85Å; M563-L598 HydrophobicContact CE-CB 4.29Å; M563-L598 HydrophobicContact CE-CD1 3.82Å; M563-L598 HydrophobicContact CE-CG 4.47Å; M563-L598 HydrophobicContact SD-CB 4.03Å; M563-L598 HydrophobicContact SD-CD1 4.13Å; L598-V600 HydrophobicContact CG-CG2 4.44Å; L598-K609 WeakPolarHBondContact O-CA 3.41Å; L598-S610 PolarHBondContact N-O 2.77Å; L598-S610 PolarHBondContact O-N 2.8Å
599	T	73.8	Confident	70.9	Confident	37 Å²	37	69 Å²	69	23%	0.227	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.9	167.9	55.1	0	0	0	0	111.1	A561 T562 Q608 K609	A561-T599 CarbonylContact C-O 3.54Å; A561-T599 WeakPolarHBondContact CA-O 3.03Å; T562-T599 PolarHBondContact N-O 2.81Å; T562-T599 PolarHBondContact O-N 2.92Å; T562-T599 PolarHBondContact O-OG1 2.69Å; T599-Q608 CarbonylContact C-O 3.39Å; T599-Q608 VanDerWaalsContact CA-O 3.24Å; T599-Q608 WeakPolarHBondContact CA-O 3.37Å; T599-K609 HydrophobicContact CG2-CB 3.93Å; T599-K609 HydrophobicContact CG2-CD 4.38Å; T599-K609 HydrophobicContact CG2-CG 3.75Å
600	V	68.7	Low	70.9	Confident	21 Å²	21	64.9 Å²	64.9	13%	0.127	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.2	173.8	176.8	0	0	0	0	109.6	M529 M552 A561 L598 T607 Q608	M529-V600 HydrophobicContact CE-CB 3.76Å; M529-V600 HydrophobicContact CE-CG1 4.47Å; M529-V600 HydrophobicContact CE-CG2 3.27Å; M529-V600 HydrophobicContact SD-CG2 3.97Å; M552-V600 HydrophobicContact CE-CG1 3.75Å; M552-V600 HydrophobicContact SD-CG1 4.37Å; A561-V600 HydrophobicContact CB-CG2 3.71Å; L598-V600 HydrophobicContact CG-CG2 4.44Å; V600-T607 WeakPolarHBondContact O-CA 3.27Å; V600-Q608 PolarHBondContact N-O 2.81Å; V600-Q608 PolarHBondContact O-N 3.01Å
601	S	60.2	Low	70.8	Confident	49 Å²	49	65.4 Å²	65.4	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.3	179.3	-48.4	0	0	0	0	109.6
602	N	55	Low	70.9	Confident	28 Å²	28	63.9 Å²	63.9	15%	0.15	33%	0.327	C	S	.	.			trans	-86.9	169.1	171.5	-159.7	5.2	0	0	0	111.8	V551 M552 H604 Q605 Q606	V551-N602 PolarHBondContact O-ND2 2.68Å; M552-N602 HydrophobicContact CE-CB 3.93Å; N602-H604 PolarHBondContact O-N 3.28Å; N602-Q605 WeakPolarHBondContact O-CA 3.26Å; N602-Q605 PolarHBondContact O-N 3.18Å; N602-Q606 PolarHBondContact N-O 3.3Å
603	I	47.3	Very low	71.2	Confident	115 Å²	115	67.3 Å²	67.3	59%	0.59	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.9	177.3	-60	173.1	0	0	0	111.5	L556 Q605	L556-I603 HydrophobicContact CD2-CD1 3.92Å; L556-I603 HydrophobicContact CD2-CG1 3.98Å; L556-I603 HydrophobicContact CG-CD1 4.04Å; I603-Q605 PolarHBondContact O-N 3.13Å
604	H	48.2	Very low	71.2	Confident	155 Å²	155	62.6 Å²	62.6	72%	0.718	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	19.8	175.6	-56.4	-61.5	0	0	0	114.6	N602 Q606	N602-H604 PolarHBondContact O-N 3.28Å; H604-Q606 PolarHBondContact O-N 3.13Å
605	Q	51.4	Low	71.4	Confident	170 Å²	170	65.9 Å²	65.9	79%	0.794	34%	0.344	S	S	*	.			trans	58.6	2.5	179.9	-60.6	-175.5	-6.4	0	0	117	N602 I603 T607	N602-Q605 WeakPolarHBondContact O-CA 3.26Å; N602-Q605 PolarHBondContact O-N 3.18Å; I603-Q605 PolarHBondContact O-N 3.13Å; Q605-T607 PolarHBondContact O-N 2.81Å
606	Q	54.8	Low	71.4	Confident	142 Å²	142	62.9 Å²	62.9	66%	0.664	33%	0.331	S	S	*	.			trans	-61.4	126.8	167.2	-71.3	-178.6	-18.7	0	0	109.6	N602 H604	N602-Q606 PolarHBondContact N-O 3.3Å; H604-Q606 PolarHBondContact O-N 3.13Å
607	T	60.6	Low	71.5	Confident	100 Å²	100	68.3 Å²	68.3	61%	0.613	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.9	179.8	50.9	0	0	0	0	110.3	V600 Q605	V600-T607 WeakPolarHBondContact O-CA 3.27Å; Q605-T607 PolarHBondContact O-N 2.81Å
608	Q	65.3	Low	71.3	Confident	80 Å²	80	75 Å²	75	37%	0.374	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137	169.5	-67	-167.8	-20.8	0	0	109.2	L528 T599 V600	L528-Q608 VanDerWaalsContact CD1-NE2 3.28Å; T599-Q608 CarbonylContact C-O 3.39Å; T599-Q608 VanDerWaalsContact CA-O 3.24Å; T599-Q608 WeakPolarHBondContact CA-O 3.37Å; V600-Q608 PolarHBondContact N-O 2.81Å; V600-Q608 PolarHBondContact O-N 3.01Å
609	K	76.6	Confident	70.5	Confident	124 Å²	124	76.8 Å²	76.8	54%	0.539	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.2	178.7	-173.9	-177	-167.4	-123.2	0	109.2	C597 L598 T599 C611	C597-K609 HydrophobicContact CB-CG 4.46Å; C597-K609 WeakPolarHBondContact SG-CE 3.47Å; C597-K609 PolarHBondContact SG-NZ 2.68Å; L598-K609 WeakPolarHBondContact O-CA 3.41Å; T599-K609 HydrophobicContact CG2-CB 3.93Å; T599-K609 HydrophobicContact CG2-CD 4.38Å; T599-K609 HydrophobicContact CG2-CG 3.75Å; K609-C611 WeakPolarHBondContact CE-SG 3.38Å; K609-C611 PolarHBondContact NZ-SG 3.36Å
610	S	80.2	Confident	69.4	Low	19 Å²	19	78.4 Å²	78.4	13%	0.133	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127	175.1	-164.9	0	0	0	0	108.8	M529 K530 V531 C597 L598	M529-S610 WeakPolarHBondContact O-CB 3.45Å; M529-S610 PolarHBondContact O-OG 2.64Å; K530-S610 WeakPolarHBondContact CA-OG 3.28Å; V531-S610 PolarHBondContact N-OG 3.11Å; C597-S610 CarbonylContact C-O 3.28Å; C597-S610 WeakPolarHBondContact CA-O 3.37Å; L598-S610 PolarHBondContact N-O 2.77Å; L598-S610 PolarHBondContact O-N 2.8Å
611	C	82.6	Confident	68.2	Low	50 Å²	50	87 Å²	87	34%	0.338	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.3	-172.1	-58.6	0	0	0	0	112.3	E595 V596 C597 K609	E595-C611 HydrophobicContact CG-CB 4.16Å; V596-C611 CarbonylContact O-C 3.5Å; V596-C611 VanDerWaalsContact O-CA 3.29Å; V596-C611 WeakPolarHBondContact O-CA 3.38Å; C597-C611 HydrophobicContact CB-CB 4.14Å; C597-C611 WeakPolarHBondContact CB-SG 3.25Å; C597-C611 WeakPolarHBondContact SG-CB 3.15Å; C597-C611 CovalentContact SG-SG 2.04Å; C597-C611 PolarHBondContact SG-SG 3.08Å; K609-C611 WeakPolarHBondContact CE-SG 3.38Å; K609-C611 PolarHBondContact NZ-SG 3.36Å
612	V	84.4	Confident	67.2	Low	35 Å²	35	89.6 Å²	89.6	21%	0.212	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	131.6	174	64	0	0	0	0	110.4	V531 V533 V596	V531-V612 HydrophobicContact CB-CG1 4.31Å; V531-V612 HydrophobicContact CG1-CG1 3.86Å; V533-V612 HydrophobicContact CG2-CG1 3.88Å; V533-V612 HydrophobicContact CG2-CG2 3.9Å; V596-V612 HydrophobicContact CB-CG1 4.22Å; V596-V612 PolarHBondContact N-O 3.01Å; V596-V612 PolarHBondContact O-N 3.16Å
613	N	87.3	Confident	66.4	Low	99 Å²	99	93.9 Å²	93.9	53%	0.529	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	139.2	172.7	-73.5	29.6	0	0	0	110	E593 Y594	E593-N613 PolarHBondContact OE1-ND2 2.79Å; Y594-N613 WeakPolarHBondContact O-CA 3.48Å
614	V	86.1	Confident	65.8	Low	10 Å²	10	96.7 Å²	96.7	6%	0.061	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	133	-174	51.6	0	0	0	0	111.2	V533 T536 I541 Y594 V596	V533-V614 HydrophobicContact CG1-CG2 3.95Å; V533-V614 HydrophobicContact CG2-CB 3.93Å; V533-V614 HydrophobicContact CG2-CG1 4.41Å; V533-V614 HydrophobicContact CG2-CG2 3.97Å; T536-V614 HydrophobicContact CG2-CG2 3.45Å; T536-V614 VanDerWaalsContact CG2-CG2 3.45Å; I541-V614 HydrophobicContact CD1-CB 4.3Å; I541-V614 HydrophobicContact CD1-CG1 3.64Å; I541-V614 HydrophobicContact CD1-CG2 3.77Å; I541-V614 HydrophobicContact CG1-CG2 4.3Å; I541-V614 HydrophobicContact CG2-CG1 4.3Å; I541-V614 HydrophobicContact CG2-CG2 4.03Å; Y594-V614 PolarHBondContact N-O 2.96Å; Y594-V614 PolarHBondContact O-N 2.68Å; V596-V614 HydrophobicContact CG2-CG1 3.69Å
615	T	86.5	Confident	65.2	Low	79 Å²	79	96.5 Å²	96.5	49%	0.485	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.5	176.6	-37	0	0	0	0	110	T592	T592-T615 WeakPolarHBondContact O-CA 3.4Å
616	T	85.7	Confident	64.2	Low	5 Å²	5	92.7 Å²	92.7	3%	0.031	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-67.5	151.4	171.1	51.7	0	0	0	0	111	I541 L588 Q589 P590 S591 T592 Y594	I541-T616 HydrophobicContact CD1-CG2 3.92Å; I541-T616 HydrophobicContact CG1-CG2 4.07Å; L588-T616 HydrophobicContact CB-CG2 3.93Å; L588-T616 HydrophobicContact CD1-CG2 4.22Å; Q589-T616 WeakPolarHBondContact O-CB 3.29Å; Q589-T616 PolarHBondContact O-OG1 2.04Å; P590-T616 VanDerWaalsContact C-OG1 3.3Å; P590-T616 WeakPolarHBondContact CA-OG1 3.49Å; S591-T616 WeakPolarHBondContact CA-O 3.41Å; S591-T616 PolarHBondContact N-O 2.76Å; S591-T616 PolarHBondContact N-OG1 2.83Å; S591-T616 VanDerWaalsContact N-OG1 3.08Å; T592-T616 PolarHBondContact N-OG1 2.94Å; T592-T616 PolarHBondContact O-N 2.9Å; T592-T616 PolarHBondContact O-OG1 2.95Å; Y594-T616 HydrophobicContact CD2-CG2 4.1Å; Y594-T616 HydrophobicContact CE2-CG2 3.84Å
617	K	85.3	Confident	63.7	Low	114 Å²	114	93.7 Å²	93.7	50%	0.496	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-71.8	160.5	178.3	-69.5	178.5	177.8	154.5	0	111	T536 E537 S538 P590 S591	T536-K617 WeakPolarHBondContact O-CD 3.38Å; T536-K617 VanDerWaalsContact O-CE 3.23Å; T536-K617 WeakPolarHBondContact O-CE 3.47Å; T536-K617 PolarHBondContact O-NZ 2.73Å; T536-K617 WeakPolarHBondContact OG1-CE 3.01Å; E537-K617 PolarHBondContact O-N 2.87Å; S538-K617 WeakPolarHBondContact CA-O 3.33Å; P590-K617 WeakPolarHBondContact CB-O 3.34Å; S591-K617 PolarHBondContact N-O 2.87Å; S591-K617 VanDerWaalsContact N-O 3.15Å
618	H	77.5	Confident	62.6	Low	143 Å²	143	96.7 Å²	96.7	66%	0.662	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-67.4	139.3	172.8	-163.5	64.1	0	0	0	110.8	S591 A620	S591-H618 WeakPolarHBondContact OG-CA 3.03Å; S591-H618 WeakPolarHBondContact OG-CB 3.48Å; S591-H618 PolarHBondContact OG-ND1 2.77Å; H618-A620 VanDerWaalsContact C-N 3.32Å; H618-A620 PolarHBondContact O-N 2.81Å
619	A	62.5	Low	61.4	Low	38 Å²	38	96.4 Å²	96.4	31%	0.314	53%	0.534	S	S	.	.			trans	-81.8	78.6	175.1	0	0	0	0	0	110.4	P590 F621	P590-A619 HydrophobicContact CB-CB 3.72Å; P590-A619 HydrophobicContact CG-CB 3.52Å; A619-F621 PolarHBondContact O-N 2.9Å
620	A	52.2	Low	59.7	Low	71 Å²	71	96 Å²	96	59%	0.587	54%	0.543	S	S	*	.			trans	-66	117.2	165	0	0	0	0	0	109	H618 T622	H618-A620 VanDerWaalsContact C-N 3.32Å; H618-A620 PolarHBondContact O-N 2.81Å; A620-T622 VanDerWaalsContact C-N 3.28Å; A620-T622 PolarHBondContact O-N 2.77Å
621	F	43.3	Very low	57.9	Low	200 Å²	200	102.1 Å²	102.1	88%	0.877	57%	0.574	S	S	*	*			trans	-83	73.1	178.5	-145.9	-79.7	0	0	0	109.9	A619	A619-F621 PolarHBondContact O-N 2.9Å
622	T	38	Very low	56.5	Low	104 Å²	104	105.1 Å²	105.1	64%	0.638	59%	0.591	S	S	*	*			trans	-86.4	111.6	175.6	46.2	0	0	0	0	110.2	A620 E624	A620-T622 VanDerWaalsContact C-N 3.28Å; A620-T622 PolarHBondContact O-N 2.77Å; T622-E624 PolarHBondContact O-N 3.41Å
623	V	38.1	Very low	55	Low	118 Å²	118	107 Å²	107	72%	0.715	61%	0.61	S	S	*	*			trans	-72.5	93.1	167.4	178.5	0	0	0	0	108	I625	V623-I625 HydrophobicContact CG1-CG1 4.49Å; V623-I625 PolarHBondContact O-N 3.33Å
624	E	35.6	Very low	53.3	Low	174 Å²	174	108.6 Å²	108.6	81%	0.813	62%	0.618	S	S	*	*			trans	-77.9	105.3	167.8	-73.1	-171.5	155.8	0	0	109.3	T622 S626	T622-E624 PolarHBondContact O-N 3.41Å; E624-S626 PolarHBondContact O-N 3.25Å; E624-S626 VanDerWaalsContact O-N 3.17Å
625	I	35.2	Very low	51.9	Low	152 Å²	152	111.9 Å²	111.9	78%	0.779	65%	0.646	S	S	*	*			trans	-66.5	109.1	164.3	-64.3	171.9	0	0	0	106.3	V623 D627	V623-I625 HydrophobicContact CG1-CG1 4.49Å; V623-I625 PolarHBondContact O-N 3.33Å; I625-D627 PolarHBondContact O-N 3.22Å
626	S	31.1	Very low	50.4	Low	89 Å²	89	111.2 Å²	111.2	62%	0.622	65%	0.649	S	S	*	*			trans	-66	101.9	175.6	-178.4	0	0	0	0	110	E624 Q628	E624-S626 PolarHBondContact O-N 3.25Å; E624-S626 VanDerWaalsContact O-N 3.17Å; S626-Q628 PolarHBondContact O-N 3.32Å
627	D	43.4	Very low	49	Very low	163 Å²	163	115.2 Å²	115.2	87%	0.872	67%	0.673	S	S	*	*			trans	-78.3	70.8	167.3	-164.7	17.8	0	0	0	109.4	I625	I625-D627 PolarHBondContact O-N 3.22Å
628	Q	38.7	Very low	47.7	Very low	164 Å²	164	115.3 Å²	115.3	77%	0.766	68%	0.677	S	S	*	*			trans	-94.9	109.8	172.1	-98.9	-172.5	-19.8	0	0	110.4	S626 T630	S626-Q628 PolarHBondContact O-N 3.32Å; Q628-T630 PolarHBondContact O-N 3.13Å
629	G	39.8	Very low	46.9	Very low	73 Å²	73	111 Å²	111	75%	0.753	67%	0.67	S	S	*	*			trans	-51.7	128.4	175.9	0	0	0	0	0	112.9	N631	G629-N631 PolarHBondContact O-N 3.08Å
630	T	39.7	Very low	46.9	Very low	117 Å²	117	113.3 Å²	113.3	72%	0.718	68%	0.681	S	S	*	*			trans	-75.6	108.3	-172.7	53.4	0	0	0	0	112.9	Q628 T632	Q628-T630 PolarHBondContact O-N 3.13Å; T630-T632 PolarHBondContact O-N 2.8Å
631	N	42.6	Very low	47.3	Very low	146 Å²	146	114 Å²	114	78%	0.781	67%	0.673	S	S	*	*			trans	-85.6	84.5	163.5	-90.3	-19.2	0	0	0	110.6	G629 A633	G629-N631 PolarHBondContact O-N 3.08Å; N631-A633 PolarHBondContact O-N 3.3Å; N631-A633 VanDerWaalsContact O-N 3.08Å
632	T	54.8	Low	48.1	Very low	114 Å²	114	111.3 Å²	111.3	70%	0.699	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-4.9	-171.6	46.9	0	0	0	0	116	T630	T630-T632 PolarHBondContact O-N 2.8Å
633	A	52.4	Low	49.4	Very low	75 Å²	75	108 Å²	108	62%	0.62	65%	0.649	S	S	*	*	H	α-helix	trans	-79	-34.6	-178.1	0	0	0	0	0	114.4	N631	N631-A633 PolarHBondContact O-N 3.3Å; N631-A633 VanDerWaalsContact O-N 3.08Å
634	L	52.2	Low	50.7	Low	132 Å²	132	108.1 Å²	108.1	69%	0.691	64%	0.644	S	S	*	*	H	α-helix	trans	-76.2	-31.7	-171.8	-79.7	160.3	0	0	0	113.6	A636 M638	L634-A636 VanDerWaalsContact C-N 3.35Å; L634-A636 PolarHBondContact O-N 3.02Å; L634-M638 PolarHBondContact O-N 3.05Å
635	A	55	Low	52.2	Low	78 Å²	78	104.7 Å²	104.7	65%	0.645	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-34.5	179.2	0	0	0	0	0	112.9	G639	A635-G639 PolarHBondContact O-N 3.06Å
636	A	55.9	Low	53.6	Low	66 Å²	66	101.3 Å²	101.3	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-70.8	-34	-178.4	0	0	0	0	0	113.1	L634	L634-A636 VanDerWaalsContact C-N 3.35Å; L634-A636 PolarHBondContact O-N 3.02Å
637	V	56.6	Low	55.1	Low	88 Å²	88	103.4 Å²	103.4	53%	0.533	62%	0.624	S	S	.	*	H	α-helix	trans	-76.2	-37.3	-180	-178	0	0	0	0	111.4	T640 I641	V637-T640 PolarHBondContact O-OG1 3.29Å; V637-T640 VanDerWaalsContact O-OG1 3.08Å; V637-I641 HydrophobicContact CG1-CD1 4.31Å
638	M	56.5	Low	56	Low	117 Å²	117	98.5 Å²	98.5	58%	0.576	61%	0.606	S	S	*	*	H	α-helix	trans	-65.9	-40	175.7	-72.6	-77.5	-88.4	0	0	112.1	L634 T640 I641 F642	L634-M638 PolarHBondContact O-N 3.05Å; M638-T640 PolarHBondContact O-N 2.76Å; M638-I641 PolarHBondContact O-N 3.12Å; M638-F642 WeakPolarHBondContact O-CD2 3.23Å; M638-F642 PolarHBondContact O-N 2.69Å
639	G	60.9	Low	57.2	Low	51 Å²	51	93.9 Å²	93.9	53%	0.526	59%	0.592	S	S	.	*	H	α-helix	trans	-63.3	-35.3	-178.8	0	0	0	0	0	114.7	A635 G643	A635-G639 PolarHBondContact O-N 3.06Å; G639-G643 PolarHBondContact O-N 3.05Å
640	T	62.4	Low	58.2	Low	88 Å²	88	96.3 Å²	96.3	54%	0.54	59%	0.585	S	S	.	*	H	α-helix	trans	-75	-36.1	-179.5	53.7	0	0	0	0	112.5	V637 M638 G643 I644	V637-T640 PolarHBondContact O-OG1 3.29Å; V637-T640 VanDerWaalsContact O-OG1 3.08Å; M638-T640 PolarHBondContact O-N 2.76Å; T640-G643 PolarHBondContact O-N 3.43Å; T640-I644 PolarHBondContact O-N 2.92Å; T640-I644 WeakPolarHBondContact O-CG1 3.37Å
641	I	61.2	Low	59.2	Low	84 Å²	84	93.6 Å²	93.6	43%	0.431	57%	0.574	S	S	.	*	H	α-helix	trans	-65.4	-44.2	178.1	-66.3	170.9	0	0	0	111.1	V637 M638 G643 I644 I645	V637-I641 HydrophobicContact CG1-CD1 4.31Å; M638-I641 PolarHBondContact O-N 3.12Å; I641-G643 VanDerWaalsContact C-N 3.33Å; I641-G643 PolarHBondContact O-N 3.14Å; I641-I644 PolarHBondContact O-N 3.03Å; I641-I645 HydrophobicContact CG2-CD1 3.82Å; I641-I645 WeakPolarHBondContact O-CG1 3.34Å; I641-I645 PolarHBondContact O-N 2.99Å
642	F	59.4	Low	60.3	Low	144 Å²	144	90.8 Å²	90.8	63%	0.632	56%	0.562	S	S	*	*	H	α-helix	trans	-64.1	-35.1	176.3	-88.2	-80.7	0	0	0	113.1	M638 S646	M638-F642 WeakPolarHBondContact O-CD2 3.23Å; M638-F642 PolarHBondContact O-N 2.69Å; F642-S646 WeakPolarHBondContact O-CB 3.47Å; F642-S646 PolarHBondContact O-N 3.05Å; F642-S646 VanDerWaalsContact O-N 3.13Å
643	G	66.1	Low	60.8	Low	36 Å²	36	92.5 Å²	92.5	37%	0.371	56%	0.557	S	S	.	*	H	α-helix	trans	-62.2	-42.3	175.1	0	0	0	0	0	113.4	G639 T640 I641 L647	G639-G643 PolarHBondContact O-N 3.05Å; T640-G643 PolarHBondContact O-N 3.43Å; I641-G643 VanDerWaalsContact C-N 3.33Å; I641-G643 PolarHBondContact O-N 3.14Å; G643-L647 PolarHBondContact O-N 2.87Å
644	I	66.2	Low	61	Low	119 Å²	119	94.6 Å²	94.6	61%	0.61	56%	0.556	S	S	*	*	H	α-helix	trans	-68.7	-42.1	-179.4	-65.8	166.6	0	0	0	111.2	T640 I641 S646 L647 A648	T640-I644 PolarHBondContact O-N 2.92Å; T640-I644 WeakPolarHBondContact O-CG1 3.37Å; I641-I644 PolarHBondContact O-N 3.03Å; I644-S646 PolarHBondContact O-N 2.97Å; I644-L647 PolarHBondContact O-N 3.41Å; I644-A648 PolarHBondContact O-N 3.19Å; I644-A648 VanDerWaalsContact O-N 3.12Å
645	I	66	Low	61.1	Low	103 Å²	103	92.4 Å²	92.4	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-67.2	-36.3	-179.9	-64.8	168.5	0	0	0	111.6	I641 S649	I641-I645 HydrophobicContact CG2-CD1 3.82Å; I641-I645 WeakPolarHBondContact O-CG1 3.34Å; I641-I645 PolarHBondContact O-N 2.99Å; I645-S649 PolarHBondContact O-N 3.01Å; I645-S649 PolarHBondContact O-OG 2.87Å
646	S	63.9	Low	61	Low	81 Å²	81	97.1 Å²	97.1	57%	0.566	56%	0.558	S	S	*	*	H	α-helix	trans	-67.4	-36.5	176.7	-166.8	0	0	0	0	112.8	F642 I644 S649 M650	F642-S646 WeakPolarHBondContact O-CB 3.47Å; F642-S646 PolarHBondContact O-N 3.05Å; F642-S646 VanDerWaalsContact O-N 3.13Å; I644-S646 PolarHBondContact O-N 2.97Å; S646-S649 PolarHBondContact O-OG 3.25Å; S646-S649 VanDerWaalsContact O-OG 3.08Å; S646-M650 PolarHBondContact O-N 2.04Å
647	L	62.8	Low	60.4	Low	133 Å²	133	103.1 Å²	103.1	70%	0.696	57%	0.567	S	S	*	*	H	α-helix	trans	-72.7	-39.5	176.7	-72.1	168	0	0	0	112.7	G643 I644 M650 A651	G643-L647 PolarHBondContact O-N 2.87Å; I644-L647 PolarHBondContact O-N 3.41Å; L647-M650 PolarHBondContact O-N 3.38Å; L647-A651 PolarHBondContact O-N 2.77Å
648	A	63.9	Low	59.9	Low	59 Å²	59	110.3 Å²	110.3	49%	0.488	59%	0.585	S	S	.	*	H	α-helix	trans	-64.9	-41.2	178	0	0	0	0	0	112.6	I644 A651 V652	I644-A648 PolarHBondContact O-N 3.19Å; I644-A648 VanDerWaalsContact O-N 3.12Å; A648-A651 PolarHBondContact O-N 3.46Å; A648-V652 WeakPolarHBondContact O-CG2 3.48Å; A648-V652 PolarHBondContact O-N 2.94Å
649	S	63.9	Low	58.9	Low	68 Å²	68	114.5 Å²	114.5	48%	0.476	60%	0.599	S	S	.	*	H	α-helix	trans	-67.9	-34.7	179.5	48.1	0	0	0	0	112.9	I645 S646 V652 Y653	I645-S649 PolarHBondContact O-N 3.01Å; I645-S649 PolarHBondContact O-OG 2.87Å; S646-S649 PolarHBondContact O-OG 3.25Å; S646-S649 VanDerWaalsContact O-OG 3.08Å; S649-V652 PolarHBondContact O-N 2.87Å; S649-Y653 PolarHBondContact O-N 3.34Å
650	M	60.9	Low	57.9	Low	123 Å²	123	123.8 Å²	123.8	61%	0.606	62%	0.619	S	S	*	*	H	α-helix	trans	-64.6	-39.4	174.5	-157	68.2	137.1	0	0	112.5	S646 L647 Y653 I654	S646-M650 PolarHBondContact O-N 2.04Å; L647-M650 PolarHBondContact O-N 3.38Å; M650-Y653 PolarHBondContact O-N 2.78Å; M650-I654 WeakPolarHBondContact O-CG1 3.31Å; M650-I654 PolarHBondContact O-N 3.05Å; M650-I654 VanDerWaalsContact O-N 3.15Å
651	A	58.8	Low	56.4	Low	61 Å²	61	129 Å²	129	50%	0.504	63%	0.634	S	S	.	*	H	α-helix	trans	-67.8	-37.7	176.8	0	0	0	0	0	113	L647 A648 S655	L647-A651 PolarHBondContact O-N 2.77Å; A648-A651 PolarHBondContact O-N 3.46Å; A651-S655 PolarHBondContact O-N 2.63Å; A651-S655 PolarHBondContact O-OG 2.6Å
652	V	65.8	Low	54.9	Low	87 Å²	87	130.8 Å²	130.8	53%	0.527	64%	0.644	S	S	.	*	H	α-helix	trans	-68.7	-35.9	174.2	175.4	0	0	0	0	111.4	A648 S649 S655 K656	A648-V652 WeakPolarHBondContact O-CG2 3.48Å; A648-V652 PolarHBondContact O-N 2.94Å; S649-V652 PolarHBondContact O-N 2.87Å; V652-S655 WeakPolarHBondContact CA-OG 3.46Å; V652-S655 VanDerWaalsContact O-OG 3.08Å; V652-S655 PolarHBondContact O-OG 2.8Å; V652-K656 WeakPolarHBondContact O-CB 3.49Å; V652-K656 PolarHBondContact O-N 2.95Å; V652-K656 VanDerWaalsContact O-N 3.14Å
653	Y	66.4	Low	53.6	Low	150 Å²	150	133.2 Å²	133.2	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-66.1	-42.2	177.3	-174	-101.3	0	0	0	112.7	S649 M650	S649-Y653 PolarHBondContact O-N 3.34Å; M650-Y653 PolarHBondContact O-N 2.78Å
654	I	56.8	Low	51.9	Low	118 Å²	118	137.5 Å²	137.5	61%	0.605	67%	0.665	S	S	*	*	H	α-helix	trans	-68.2	-42.1	179.3	-66.8	168.4	0	0	0	111.1	M650 K656 R657	M650-I654 WeakPolarHBondContact O-CG1 3.31Å; M650-I654 PolarHBondContact O-N 3.05Å; M650-I654 VanDerWaalsContact O-N 3.15Å; I654-K656 PolarHBondContact O-N 3.09Å; I654-R657 PolarHBondContact O-N 2.9Å
655	S	53.2	Low	50.4	Low	86 Å²	86	140.2 Å²	140.2	60%	0.601	68%	0.675	S	S	*	*	H	α-helix	trans	-68	-31.1	178.7	51	0	0	0	0	113.8	A651 V652 R657	A651-S655 PolarHBondContact O-N 2.63Å; A651-S655 PolarHBondContact O-OG 2.6Å; V652-S655 WeakPolarHBondContact CA-OG 3.46Å; V652-S655 VanDerWaalsContact O-OG 3.08Å; V652-S655 PolarHBondContact O-OG 2.8Å; S655-R657 PolarHBondContact O-N 2.98Å
656	K	52.9	Low	48.9	Very low	177 Å²	177	139.5 Å²	139.5	77%	0.77	68%	0.679	S	S	*	*	H	α-helix	trans	-76.2	-15.1	177.2	-121.6	172.8	-177.4	174.2	0	114.7	V652 I654 W658	V652-K656 WeakPolarHBondContact O-CB 3.49Å; V652-K656 PolarHBondContact O-N 2.95Å; V652-K656 VanDerWaalsContact O-N 3.14Å; I654-K656 PolarHBondContact O-N 3.09Å; K656-W658 VanDerWaalsContact C-N 3.33Å; K656-W658 PolarHBondContact O-N 3.13Å
657	R	44.3	Very low	47.3	Very low	192 Å²	192	142 Å²	142	73%	0.725	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-4.6	-176.4	-160.8	168.3	178.1	170.3	-1.3	114.4	I654 S655	I654-R657 PolarHBondContact O-N 2.9Å; S655-R657 PolarHBondContact O-N 2.98Å
658	W	45.5	Very low	45.6	Very low	240 Å²	240	144.5 Å²	144.5	91%	0.909	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	2.2	-173.1	-109.1	39.2	0	0	0	117	K656	K656-W658 VanDerWaalsContact C-N 3.33Å; K656-W658 PolarHBondContact O-N 3.13Å
659	K	36.5	Very low	44.1	Very low	204 Å²	204	150.9 Å²	150.9	89%	0.887	71%	0.707	S	S	*	*			trans	-133.5	85.7	172	-77.9	-173.9	176.3	177	0	112.9
660	R	38.4	Very low	42.3	Very low	247 Å²	247	157.9 Å²	157.9	93%	0.932	72%	0.724	S	S	*	*			trans	-117.9	114.7	153.1	-98.6	-170.9	175.6	-176.9	-0.1	109
661	K	31.1	Very low	40.7	Very low	196 Å²	196	159.7 Å²	159.7	85%	0.852	73%	0.733	S	S	*	*			trans	-155.6	134.4	150.4	-112.3	-178.9	-178	179.9	0	111
662	N	30.3	Very low	39.5	Very low	122 Å²	122	165 Å²	165	65%	0.652	75%	0.748	S	S	*	*			trans	88.1	115.5	149.9	-68.1	10.2	0	0	0	122.3
663	Y	32.6	Very low	37.8	Very low	196 Å²	196	170.1 Å²	170.1	77%	0.769	76%	0.763	S	S	*	*			trans	59.8	150.8	135.7	-74	-105.9	0	0	0	118.9
664	N	30.6	Very low	36	Very low	126 Å²	126	168.9 Å²	168.9	67%	0.674	77%	0.771	S	S	*	*			cis	166.1	135.7	-23.4	-114.6	3.6	0	0	0	104.4
665	H	33.8	Very low	34.8	Very low	176 Å²	176	168.3 Å²	168.3	82%	0.815	78%	0.777	S	S	*	*			trans	155.4	122.4	146.2	-97.2	-102.5	0	0	0	107.7
666	S	35.3	Very low	33.8	Very low	87 Å²	87	169.1 Å²	169.1	61%	0.608	78%	0.783	S	S	*	*				74.9	128.9	57.7	-179.8	0	0	0	0	111.5
667	L	29.2	Very low	32.8	Very low	134 Å²	134	168.3 Å²	168.3	70%	0.702	79%	0.786	S	S	*	*			cis	-169	167.3	-10.7	-128.9	129.4	0	0	0	107.5
668	K	27.8	Very low	32.2	Very low	186 Å²	186	164.7 Å²	164.7	81%	0.809	79%	0.787	S	S	*	*			trans	31.9	121.2	153	-90	169.4	-172.7	177.2	0	119.1
669	K	31.2	Very low	31.4	Very low	192 Å²	192	160.7 Å²	160.7	84%	0.835	78%	0.783	S	S	*	*				-143.9	124	121.5	-109.3	-173.4	-179.8	178.9	0	111.5
670	Y	27.7	Very low	31.1	Very low	215 Å²	215	158.5 Å²	158.5	84%	0.843	78%	0.781	S	S	*	*			trans	56.8	102.4	164.4	-71.6	-85.5	0	0	0	120.3
671	M	27.2	Very low	30.7	Very low	161 Å²	161	154.2 Å²	154.2	79%	0.793	77%	0.771	S	S	*	*			trans	-93.1	170.2	145.3	-71.9	-178.7	65	0	0	110.4
672	Q	32.8	Very low	30.6	Very low	174 Å²	174	152.8 Å²	152.8	81%	0.813	77%	0.772	S	S	*	*			trans	81	98.7	156.2	-70.8	166	-11.7	0	0	119.5
673	K	30.1	Very low	30.7	Very low	194 Å²	194	156.7 Å²	156.7	84%	0.843	78%	0.779	S	S	*	*				-154	110.8	104.5	-101.8	177.4	-178.7	-176.9	0	108.5
674	T	28.1	Very low	30.5	Very low	124 Å²	124	152.3 Å²	152.3	76%	0.761	78%	0.775	S	S	*	*				60.6	129.1	112.6	58.9	0	0	0	0	114.8
675	S	31.6	Very low	30.9	Very low	105 Å²	105	151.7 Å²	151.7	73%	0.734	78%	0.778	S	S	*	*			cis	-169.8	156.3	12.1	39.4	0	0	0	0	113.2
676	S	33.3	Very low	30.7	Very low	104 Å²	104	151 Å²	151	73%	0.727	78%	0.779	S	S	*	*			trans	57.2	124.9	146.8	62.7	0	0	0	0	122.6
677	I	31.7	Very low	30.3	Very low	159 Å²	159	154.6 Å²	154.6	82%	0.815	79%	0.79	S	S	*	*			trans	144.4	139.9	138.4	-75.9	167.1	0	0	0	109.3
678	P	31.6	Very low	30.2	Very low	116 Å²	116	154.7 Å²	154.7	75%	0.753	79%	0.791	S	S	*	*			trans	-93.4	148.9	-146.1	35.2	-34.6	0	0	0	115
679	L	28.5	Very low	30.3	Very low	156 Å²	156	152.2 Å²	152.2	82%	0.817	79%	0.786	S	S	*	*			trans	-86.8	129.1	160.8	-97	80.6	0	0	0	110
680	N	29.8	Very low	30.1	Very low	159 Å²	159	154.4 Å²	154.4	85%	0.85	79%	0.789	S	S	*	*			trans	-135.9	65.8	158.9	-159.3	41.4	0	0	0	109
681	E	29.9	Very low	30	Very low	157 Å²	157	153.5 Å²	153.5	73%	0.734	79%	0.792	S	S	*	*			trans	-98.9	112.4	165.9	-73.6	-166.9	156	0	0	109
682	L	29.9	Very low	30	Very low	166 Å²	166	150.6 Å²	150.6	87%	0.869	79%	0.794	S	S	*	*			trans	-127.1	107.2	163.4	-136.8	88.4	0	0	0	108.1
683	Y	30.8	Very low	29.7	Very low	204 Å²	204	150 Å²	150	80%	0.8	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.6	150.3	173.8	-101	-97.4	0	0	0	111.9
684	P	29.6	Very low	29.6	Very low	104 Å²	104	146.6 Å²	146.6	68%	0.675	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-95.1	157.4	145.1	34.4	-27.3	0	0	0	111.4
685	P	39.4	Very low	29.6	Very low	113 Å²	113	149.2 Å²	149.2	73%	0.734	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-103.4	147	-157	37.9	-35.5	0	0	0	117.5
686	L	29.2	Very low	29.4	Very low	160 Å²	160	154.1 Å²	154.1	84%	0.838	81%	0.809	S	S	*	*			trans	37	129.6	134.4	-62.7	166.4	0	0	0	121.7
687	I	27.6	Very low	29.1	Very low	163 Å²	163	157 Å²	157	84%	0.836	81%	0.811	S	S	*	*			trans	-108	136	152.6	-73.6	174.1	0	0	0	108.7
688	N	26.9	Very low	28.9	Very low	137 Å²	137	156.8 Å²	156.8	73%	0.733	80%	0.804	S	S	*	*			trans	-100	156.7	160.5	-83	-23.3	0	0	0	107.8
689	L	28.4	Very low	28.7	Very low	133 Å²	133	158 Å²	158	70%	0.696	80%	0.799	S	S	*	*			cis	166	161.1	-8.7	-164.6	156.9	0	0	0	102.7
690	W	28	Very low	28.5	Very low	238 Å²	238	157 Å²	157	90%	0.902	80%	0.8	S	S	*	*			trans	118.3	108.4	161.4	-71.2	53.6	0	0	0	115.4
691	E	25.4	Very low	28.3	Very low	196 Å²	196	154.1 Å²	154.1	92%	0.916	79%	0.792	S	S	*	*			trans	-89.2	164	156.5	-67	170.5	131.8	0	0	109.4
692	A	28.1	Very low	28	Very low	100 Å²	100	151.8 Å²	151.8	83%	0.826	79%	0.793	S	S	*	*			trans	-136.1	133.1	173	0	0	0	0	0	110.6
693	D	26.7	Very low	27.8	Very low	161 Å²	161	149.4 Å²	149.4	86%	0.861	79%	0.79	S	S	*	*			trans	-71.5	157.8	-175.6	-64.2	-65.9	0	0	0	114.6
694	S	27.4	Very low	27.7	Very low	123 Å²	123	145 Å²	145	86%	0.86	79%	0.789	S	S	*	*			trans	-148.4	119.6	147.1	58.4	0	0	0	0	111
695	E	27.5	Very low	27.5	Very low	179 Å²	179	148.5 Å²	148.5	84%	0.836	80%	0.797	S	S	*	*			trans	-86.1	156.3	-179.4	-58.6	174.3	122.8	0	0	112.8
696	K	27.4	Very low	27	Very low	208 Å²	208	150.3 Å²	150.3	90%	0.904	81%	0.806	S	S	*	*			trans	-168.5	82.6	134.6	-107.9	171.9	-174.6	-178.5	0	115
697	E	27	Very low	27.1	Very low	164 Å²	164	152.4 Å²	152.4	77%	0.766	81%	0.808	S	S	*	*				43.6	139.3	125.4	-123	-173.2	-139.5	0	0	125.4
698	K	28.5	Very low	27.6	Very low	155 Å²	155	150.5 Å²	150.5	67%	0.674	81%	0.806	S	S	*	*			trans	87.2	136.9	155.4	-58.8	-174.4	175.1	-109.3	0	120.1
699	E	26.2	Very low	27.7	Very low	141 Å²	141	147.7 Å²	147.7	66%	0.659	81%	0.81	S	S	*	*			cis	-163.5	143.7	-9.6	-117.2	172.1	-143.7	0	0	111.1
700	V	25.5	Very low	27.7	Very low	137 Å²	137	150.6 Å²	150.6	83%	0.83	82%	0.82	S	S	*	*			trans	65.5	138.5	148.6	178.3	0	0	0	0	118.4
701	S	25.4	Very low	27.7	Very low	97 Å²	97	145 Å²	145	68%	0.678	81%	0.812	S	S	*	*			cis	-151	157	19.5	52.4	0	0	0	0	115
702	S	23.8	Very low	27.8	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	81%	0.806	S	S	*	*			trans	3.5	142.8	149.3	58.6	0	0	0	0	120.2
703	S	25.2	Very low	27.9	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	80%	0.8	S	S	*	*			cis	-167	-169.9	9	56.1	0	0	0	0	108.4
704	S	27.9	Very low	28	Very low	112 Å²	112	141.4 Å²	141.4	78%	0.783	79%	0.794	S	S	*	*			cis	-152.8	-162.4	13.9	64	0	0	0	0	112.2
705	E	26.3	Very low	28	Very low	178 Å²	178	146.4 Å²	146.4	83%	0.832	79%	0.794	S	S	*	*			trans	-105.7	144	-179	-60.3	178.8	109.4	0	0	114.1
706	T	29	Very low	28.1	Very low	151 Å²	151	142.3 Å²	142.3	93%	0.926	79%	0.785	S	S	*	*			trans	-157.6	144	132.1	-6	0	0	0	0	111.5
707	K	31.4	Very low	28.1	Very low	203 Å²	203	141 Å²	141	88%	0.883	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-97.5	163.4	-173.8	-100.4	-178.6	179.5	172.5	0	113.3
708	P	37.2	Very low	28.1	Very low	123 Å²	123	143.6 Å²	143.6	80%	0.799	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-89.2	156	-155.5	34.5	-37.8	0	0	0	116
709	G	28.9	Very low	27.9	Very low	79 Å²	79	144.4 Å²	144.4	81%	0.814	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-83.2	140.9	169.7	0	0	0	0	0	113.3
710	Q	29.1	Very low	28.3	Very low	193 Å²	193	153.1 Å²	153.1	90%	0.902	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.6	149.6	-171.2	-171.2	171.7	-11.9	0	0	115.2
711	V	28	Very low	28.4	Very low	120 Å²	120	153.9 Å²	153.9	73%	0.727	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71.5	142.5	172.1	176.2	0	0	0	0	111.2	T713	V711-T713 HydrophobicContact CG1-CG2 3.75Å
712	D	27.1	Very low	28.6	Very low	149 Å²	149	156.9 Å²	156.9	80%	0.797	82%	0.822	S	S	*	*			trans	-123.9	144.4	154.2	-161.2	-4.6	0	0	0	110.6
713	T	30.6	Very low	28.8	Very low	113 Å²	113	159.6 Å²	159.6	69%	0.693	83%	0.825	S	S	*	*			trans	-133.2	105.6	-171.3	48.2	0	0	0	0	111.4	V711	V711-T713 HydrophobicContact CG1-CG2 3.75Å
714	T	27.8	Very low	29	Very low	120 Å²	120	162.2 Å²	162.2	74%	0.736	83%	0.826	S	S	*	*			trans	-135.9	107.4	160.8	44.1	0	0	0	0	108.4
715	R	29.2	Very low	29.1	Very low	228 Å²	228	165.3 Å²	165.3	86%	0.86	83%	0.829	S	S	*	*				64.1	121.7	93.9	-86.1	-174.7	175.9	-174.3	-0.7	111.8
716	S	28.4	Very low	29.3	Very low	93 Å²	93	164.5 Å²	164.5	65%	0.65	83%	0.829	S	S	*	*			cis	-169.2	150.7	40	-82	0	0	0	0	113.9
717	Y	27.5	Very low	29.3	Very low	182 Å²	182	165.4 Å²	165.4	71%	0.714	82%	0.822	S	S	*	*			trans	26.1	143.8	139	-57.6	-91	0	0	0	121.1
718	Y	27.7	Very low	29.1	Very low	217 Å²	217	162.5 Å²	162.5	85%	0.851	82%	0.817	S	S	*	*			cis	-151.6	162.7	43.7	-90.7	-83.3	0	0	0	115
719	M	23.6	Very low	28.5	Very low	172 Å²	172	165.8 Å²	165.8	85%	0.847	82%	0.818	S	S	*	*			trans	-77.1	148.8	166.8	-65.7	158.1	142.9	0	0	112.3
720	W	33.9	Very low	28.4	Very low	324 Å²	324	173.7 Å²	173.7	100%	1.227	82%	0.819	S	S	*	*				-140.1	0	115.6	-94.3	92.4	0	0	0	108.7

Retrieved 720 of 720 residues in 2537.2 ms (Link to these results)

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