A0A087Y5B3_POEFO Loading...

Leucine rich repeat neuronal 3

AlphaFold DB , UniProt , Accession A0A087Y5B3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 695 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	49.4	Very low	238 Å²	238	130.4 Å²	130.4	100%	1.172	66%	0.66	S	S	*	*				0	150.5	0	-74.2	175.9	69.8	0	0	108
2	K	37.6	Very low	49.9	Very low	190 Å²	190	129.1 Å²	129.1	83%	0.826	65%	0.654	S	S	*	*			trans	72.7	112.1	-171.4	-58.4	-165.8	174.6	-172.8	0	116.1
3	D	49.4	Very low	50	Low	152 Å²	152	122.4 Å²	122.4	81%	0.813	64%	0.637	S	S	*	*			cis	-150.5	109.4	-41	-89.4	-33.5	0	0	0	104.6
4	M	38.8	Very low	50	Low	162 Å²	162	121.1 Å²	121.1	80%	0.798	63%	0.631	S	S	*	*			trans	-104	127.6	173.6	-166.7	154	66.9	0	0	107.3	D8	M4-D8 HydrophobicContact CG-CB 4.4Å
5	S	50.5	Low	49.8	Very low	57 Å²	57	116.6 Å²	116.6	40%	0.399	62%	0.618	S	S	.	*			trans	-74.9	145.3	-164.7	-170.8	0	0	0	0	111	V7 D8	S5-V7 PolarHBondContact O-N 3.07Å; S5-V7 VanDerWaalsContact O-N 3.13Å; S5-V7 WeakPolarHBondContact OG-CB 3.47Å; S5-V7 PolarHBondContact OG-N 3.15Å; S5-D8 WeakPolarHBondContact CA-OD2 3.25Å; S5-D8 VanDerWaalsContact CB-OD2 3.23Å; S5-D8 WeakPolarHBondContact CB-OD2 3.5Å; S5-D8 PolarHBondContact N-OD2 3.06Å; S5-D8 WeakPolarHBondContact O-CB 3.3Å; S5-D8 PolarHBondContact O-N 3.1Å
6	F	52.8	Low	49.7	Very low	173 Å²	173	117.3 Å²	117.3	76%	0.759	62%	0.618	S	S	*	*	H	α-helix	trans	-56.5	-26.7	167.3	-171.8	-98.4	0	0	0	111.6	L10	F6-L10 PolarHBondContact O-N 3.26Å; F6-L10 VanDerWaalsContact O-N 3.09Å
7	V	56.4	Low	49.3	Very low	72 Å²	72	114.5 Å²	114.5	44%	0.436	62%	0.616	S	S	.	*	H	α-helix	trans	-64.5	-36.2	173.5	-179.7	0	0	0	0	112.2	S5 L10 F11	S5-V7 PolarHBondContact O-N 3.07Å; S5-V7 VanDerWaalsContact O-N 3.13Å; S5-V7 WeakPolarHBondContact OG-CB 3.47Å; S5-V7 PolarHBondContact OG-N 3.15Å; V7-L10 WeakPolarHBondContact O-CB 3.3Å; V7-L10 PolarHBondContact O-N 3.48Å; V7-F11 HydrophobicContact CG1-CD2 3.69Å; V7-F11 HydrophobicContact CG1-CE2 3.59Å; V7-F11 WeakPolarHBondContact O-CD2 3.39Å; V7-F11 PolarHBondContact O-N 3.46Å
8	D	51.9	Low	49	Very low	72 Å²	72	113.3 Å²	113.3	39%	0.385	62%	0.618	S	S	.	*	H	α-helix	trans	-69.3	-42.3	-177.8	-53	-37.8	0	0	0	110.5	M4 S5 L10 F11 I12	M4-D8 HydrophobicContact CG-CB 4.4Å; S5-D8 WeakPolarHBondContact CA-OD2 3.25Å; S5-D8 VanDerWaalsContact CB-OD2 3.23Å; S5-D8 WeakPolarHBondContact CB-OD2 3.5Å; S5-D8 PolarHBondContact N-OD2 3.06Å; S5-D8 WeakPolarHBondContact O-CB 3.3Å; S5-D8 PolarHBondContact O-N 3.1Å; D8-L10 VanDerWaalsContact C-N 3.31Å; D8-L10 PolarHBondContact O-N 2.84Å; D8-F11 PolarHBondContact O-N 2.9Å; D8-I12 WeakPolarHBondContact O-CG1 3.43Å; D8-I12 PolarHBondContact O-N 3.01Å
9	C	54.2	Low	48.7	Very low	81 Å²	81	114.2 Å²	114.2	55%	0.547	62%	0.621	S	S	.	*	H	α-helix	trans	-65.7	-32.6	171.4	-66.5	0	0	0	0	112.6	G13	C9-G13 PolarHBondContact O-N 3.32Å
10	L	53.1	Low	48.3	Very low	97 Å²	97	112.4 Å²	112.4	51%	0.508	62%	0.623	S	S	.	*	H	α-helix	trans	-67.4	-42.1	175.8	-161.5	72	0	0	0	111.7	F6 V7 D8 G13 L14	F6-L10 PolarHBondContact O-N 3.26Å; F6-L10 VanDerWaalsContact O-N 3.09Å; V7-L10 WeakPolarHBondContact O-CB 3.3Å; V7-L10 PolarHBondContact O-N 3.48Å; D8-L10 VanDerWaalsContact C-N 3.31Å; D8-L10 PolarHBondContact O-N 2.84Å; L10-G13 PolarHBondContact O-N 2.91Å; L10-L14 HydrophobicContact CG-CD1 4.26Å; L10-L14 WeakPolarHBondContact O-CB 3.47Å; L10-L14 WeakPolarHBondContact O-CG 3.36Å; L10-L14 PolarHBondContact O-N 3.35Å
11	F	52.7	Low	48	Very low	140 Å²	140	113.2 Å²	113.2	61%	0.614	63%	0.631	S	S	*	*	H	α-helix	trans	-68.1	-39.4	176	-84.7	-68.4	0	0	0	112.8	V7 D8 G13 L14 A15	V7-F11 HydrophobicContact CG1-CD2 3.69Å; V7-F11 HydrophobicContact CG1-CE2 3.59Å; V7-F11 WeakPolarHBondContact O-CD2 3.39Å; V7-F11 PolarHBondContact O-N 3.46Å; D8-F11 PolarHBondContact O-N 2.9Å; F11-G13 VanDerWaalsContact C-N 3.35Å; F11-L14 PolarHBondContact O-N 2.92Å; F11-A15 WeakPolarHBondContact O-CB 3.44Å; F11-A15 PolarHBondContact O-N 3.41Å
12	I	55.6	Low	47.6	Very low	115 Å²	115	106.3 Å²	106.3	59%	0.59	61%	0.612	S	S	*	*	H	α-helix	trans	-65.9	-39.5	173.7	-65.9	167.3	0	0	0	110.6	D8 A15 M16	D8-I12 WeakPolarHBondContact O-CG1 3.43Å; D8-I12 PolarHBondContact O-N 3.01Å; I12-A15 PolarHBondContact O-N 3.37Å; I12-M16 WeakPolarHBondContact O-CG 3.38Å; I12-M16 PolarHBondContact O-N 3.28Å
13	G	50.7	Low	47.6	Very low	42 Å²	42	102.5 Å²	102.5	43%	0.433	60%	0.604	S	S	.	*	H	α-helix	trans	-62.4	-43.1	173.9	0	0	0	0	0	113.1	C9 L10 F11 M16 A17	C9-G13 PolarHBondContact O-N 3.32Å; L10-G13 PolarHBondContact O-N 2.91Å; F11-G13 VanDerWaalsContact C-N 3.35Å; G13-M16 PolarHBondContact O-N 2.91Å; G13-A17 WeakPolarHBondContact O-CB 3.43Å; G13-A17 PolarHBondContact O-N 3.47Å
14	L	50.1	Low	47.1	Very low	105 Å²	105	104.8 Å²	104.8	55%	0.55	61%	0.61	S	S	.	*	H	α-helix	trans	-68.3	-38.3	176.4	-75.3	165.2	0	0	0	112.4	L10 F11 M16 A17 S18	L10-L14 HydrophobicContact CG-CD1 4.26Å; L10-L14 WeakPolarHBondContact O-CB 3.47Å; L10-L14 WeakPolarHBondContact O-CG 3.36Å; L10-L14 PolarHBondContact O-N 3.35Å; F11-L14 PolarHBondContact O-N 2.92Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 3.34Å; L14-A17 PolarHBondContact O-N 2.93Å; L14-S18 PolarHBondContact O-N 3.35Å; L14-S18 VanDerWaalsContact O-N 3.08Å; L14-S18 PolarHBondContact O-OG 2.83Å
15	A	46.8	Very low	47.4	Very low	53 Å²	53	103 Å²	103	44%	0.438	61%	0.608	S	S	.	*	H	α-helix	trans	-64.7	-35.8	174.9	0	0	0	0	0	112.6	F11 I12 S18	F11-A15 WeakPolarHBondContact O-CB 3.44Å; F11-A15 PolarHBondContact O-N 3.41Å; I12-A15 PolarHBondContact O-N 3.37Å; A15-S18 WeakPolarHBondContact CA-OG 3.42Å; A15-S18 PolarHBondContact O-OG 2.84Å
16	M	48.8	Very low	47.1	Very low	127 Å²	127	102.1 Å²	102.1	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-76.6	-27.4	173.2	-67.6	-63.4	-66.3	0	0	112.7	I12 G13 L14 S18 L19	I12-M16 WeakPolarHBondContact O-CG 3.38Å; I12-M16 PolarHBondContact O-N 3.28Å; G13-M16 PolarHBondContact O-N 2.91Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 3.34Å; M16-S18 VanDerWaalsContact C-N 3.31Å; M16-L19 PolarHBondContact O-N 3.43Å; M16-L19 HydrophobicContact SD-CD1 4.21Å
17	A	43.3	Very low	47.3	Very low	71 Å²	71	100.2 Å²	100.2	59%	0.587	61%	0.613	S	S	*	*	H	α-helix	trans	-70.6	-25.2	172	0	0	0	0	0	112.9	G13 L14 L19	G13-A17 WeakPolarHBondContact O-CB 3.43Å; G13-A17 PolarHBondContact O-N 3.47Å; L14-A17 PolarHBondContact O-N 2.93Å; A17-L19 PolarHBondContact O-N 2.71Å
18	S	43.8	Very low	48.2	Very low	93 Å²	93	101 Å²	101	65%	0.65	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	3.8	169	46.2	0	0	0	0	114.8	L14 A15 M16	L14-S18 PolarHBondContact O-N 3.35Å; L14-S18 VanDerWaalsContact O-N 3.08Å; L14-S18 PolarHBondContact O-OG 2.83Å; A15-S18 WeakPolarHBondContact CA-OG 3.42Å; A15-S18 PolarHBondContact O-OG 2.84Å; M16-S18 VanDerWaalsContact C-N 3.31Å
19	L	43.5	Very low	50	Low	129 Å²	129	99.5 Å²	99.5	68%	0.675	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	32.1	171.4	-86.4	153.6	0	0	0	112.5	M16 A17	M16-L19 PolarHBondContact O-N 3.43Å; M16-L19 HydrophobicContact SD-CD1 4.21Å; A17-L19 PolarHBondContact O-N 2.71Å
20	A	39.8	Very low	51.8	Low	79 Å²	79	96.6 Å²	96.6	65%	0.653	59%	0.59	S	S	*	*	S	Bend	trans	-58.6	141.7	147.6	0	0	0	0	0	108.6	A22	A20-A22 PolarHBondContact O-N 2.83Å
21	V	42.8	Very low	53.4	Low	130 Å²	130	102.1 Å²	102.1	79%	0.788	61%	0.61	S	S	*	*			trans	-69.7	92.9	-168.4	-179.2	0	0	0	0	111.2	T23	V21-T23 VanDerWaalsContact C-N 3.27Å; V21-T23 HydrophobicContact CG1-CG2 4.08Å; V21-T23 PolarHBondContact O-N 3.27Å; V21-T23 VanDerWaalsContact O-N 3.13Å
22	A	36.3	Very low	55.3	Low	93 Å²	93	100.9 Å²	100.9	77%	0.769	61%	0.609	S	S	*	*			trans	-74.1	86.5	154.3	0	0	0	0	0	107.8	A20	A20-A22 PolarHBondContact O-N 2.83Å
23	T	38.3	Very low	57.1	Low	109 Å²	109	96.1 Å²	96.1	67%	0.669	59%	0.586	S	S	*	*			trans	-52.4	139.1	155.2	28.6	0	0	0	0	108.1	V21 V25	V21-T23 VanDerWaalsContact C-N 3.27Å; V21-T23 HydrophobicContact CG1-CG2 4.08Å; V21-T23 PolarHBondContact O-N 3.27Å; V21-T23 VanDerWaalsContact O-N 3.13Å; T23-V25 PolarHBondContact O-N 2.88Å
24	E	38.2	Very low	59.2	Low	200 Å²	200	97.9 Å²	97.9	94%	0.935	59%	0.588	S	S	*	*			trans	-65.7	95.7	-177.1	-65.9	-175.9	127.4	0	0	110.1	G26	E24-G26 VanDerWaalsContact C-N 3.26Å; E24-G26 PolarHBondContact O-N 2.86Å
25	V	45.1	Very low	61.3	Low	124 Å²	124	94.5 Å²	94.5	75%	0.752	57%	0.573	S	S	*	*			trans	-67.6	91.8	169.1	-179.1	0	0	0	0	107.2	T23	T23-V25 PolarHBondContact O-N 2.88Å
26	G	44.9	Very low	63.5	Low	40 Å²	40	96 Å²	96	41%	0.412	57%	0.571	S	S	.	*			trans	-56.4	150.7	179.2	0	0	0	0	0	111.7	E24 D28	E24-G26 VanDerWaalsContact C-N 3.26Å; E24-G26 PolarHBondContact O-N 2.86Å; G26-D28 PolarHBondContact O-N 3.36Å
27	P	56.8	Low	65.7	Low	133 Å²	133	95.8 Å²	95.8	86%	0.864	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	13.9	-169.6	31	-37.8	0	0	0	115.4
28	D	75.6	Confident	68	Low	88 Å²	88	95.6 Å²	95.6	47%	0.471	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.3	-0.1	-171.8	-68.6	-57.9	0	0	0	114.6	G26	G26-D28 PolarHBondContact O-N 3.36Å
29	C	89	Confident	70.2	Confident	40 Å²	40	95.2 Å²	95.2	27%	0.27	55%	0.55	S	S	.	*	S	Bend	trans	-73.5	132.1	173.2	-170.4	0	0	0	0	111.6	C35	C29-C35 VanDerWaalsContact CA-SG 3.52Å; C29-C35 HydrophobicContact CB-CB 3.84Å; C29-C35 WeakPolarHBondContact CB-SG 3.45Å; C29-C35 WeakPolarHBondContact SG-CB 3.37Å; C29-C35 PolarHBondContact SG-N 2.9Å; C29-C35 CovalentContact SG-SG 2.04Å; C29-C35 PolarHBondContact SG-SG 3.49Å
30	P	91.5	Very high	72.5	Confident	20 Å²	20	90.2 Å²	90.2	13%	0.13	52%	0.522	C	S	.	.			trans	-63.6	136.9	177.1	-20.9	32.1	0	0	0	112.8	L32 C33 P64 L67	P30-L32 PolarHBondContact O-N 2.91Å; P30-C33 HydrophobicContact CB-CB 4.06Å; P30-C33 HydrophobicContact CG-CB 4.33Å; P30-C33 PolarHBondContact O-N 3.39Å; P30-P64 HydrophobicContact CB-CB 3.84Å; P30-P64 HydrophobicContact CB-CG 3.77Å; P30-P64 HydrophobicContact CG-CB 3.73Å; P30-P64 HydrophobicContact CG-CG 3.77Å; P30-L67 HydrophobicContact CG-CD2 3.83Å
31	K	88.5	Confident	74.8	Confident	214 Å²	214	92.3 Å²	92.3	93%	0.93	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-14	-175.2	-65.7	-173.1	177.8	-176	0	116.7
32	L	91.7	Very high	76.9	Confident	114 Å²	114	87 Å²	87	60%	0.597	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	0.9	178.1	-62.4	178.1	0	0	0	112.2	P30 V58 L60	P30-L32 PolarHBondContact O-N 2.91Å; L32-V58 HydrophobicContact CB-CB 4.48Å; L32-V58 HydrophobicContact CB-CG2 4Å; L32-V58 WeakPolarHBondContact O-CG1 3.34Å; L32-L60 HydrophobicContact CD1-CD2 4.02Å
33	C	93.9	Very high	79.1	Confident	15 Å²	15	83.2 Å²	83.2	10%	0.101	45%	0.453	C	S	.	.	S	Bend	trans	-122.3	157.9	-174.2	-53.2	0	0	0	0	110.6	P30 V53 D54 C55	P30-C33 HydrophobicContact CB-CB 4.06Å; P30-C33 HydrophobicContact CG-CB 4.33Å; P30-C33 PolarHBondContact O-N 3.39Å; C33-V53 HydrophobicContact CB-CG1 4.12Å; C33-D54 CarbonylContact C-O 3.26Å; C33-D54 WeakPolarHBondContact CA-O 3.43Å; C33-D54 WeakPolarHBondContact CB-O 3.29Å; C33-C55 HydrophobicContact CB-CB 4.07Å; C33-C55 WeakPolarHBondContact CB-SG 3.44Å; C33-C55 WeakPolarHBondContact SG-CB 3.42Å; C33-C55 CovalentContact SG-SG 2.03Å; C33-C55 PolarHBondContact SG-SG 3.14Å
34	V	94.4	Very high	81.1	Confident	79 Å²	79	82.7 Å²	82.7	48%	0.479	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.8	172.3	-178.7	0	0	0	0	108.4	E36 D54	V34-E36 HydrophobicContact CG1-CG 4.29Å; V34-D54 HydrophobicContact CB-CB 4.38Å; V34-D54 PolarHBondContact N-O 2.9Å; V34-D54 PolarHBondContact O-N 3.4Å
35	C	94.4	Very high	83.4	Confident	34 Å²	34	77.9 Å²	77.9	23%	0.23	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112	176.1	-50.4	0	0	0	0	109.2	C29 T52 V53	C29-C35 VanDerWaalsContact CA-SG 3.52Å; C29-C35 HydrophobicContact CB-CB 3.84Å; C29-C35 WeakPolarHBondContact CB-SG 3.45Å; C29-C35 WeakPolarHBondContact SG-CB 3.37Å; C29-C35 PolarHBondContact SG-N 2.9Å; C29-C35 CovalentContact SG-SG 2.04Å; C29-C35 PolarHBondContact SG-SG 3.49Å; C35-T52 WeakPolarHBondContact CA-O 3.36Å; C35-V53 HydrophobicContact CB-CG2 4.45Å
36	E	93.6	Very high	85.4	Confident	85 Å²	85	75.9 Å²	75.9	40%	0.397	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	172.2	-176.1	66.8	-173.2	166.9	0	0	111.5	V34 R38 T52	V34-E36 HydrophobicContact CG1-CG 4.29Å; E36-R38 HydrophobicContact CG-CG 3.93Å; E36-R38 IonicContact OE1-CZ 3.83Å; E36-R38 IonicContact OE1-NE 3.67Å; E36-R38 PolarHBondContact OE1-NE 3.22Å; E36-R38 IonicContact OE1-NH2 3.97Å; E36-R38 PolarHBondContact OE1-NH2 3Å; E36-T52 PolarHBondContact N-O 3.1Å; E36-T52 VanDerWaalsContact N-O 3.09Å; E36-T52 PolarHBondContact O-N 2.92Å
37	I	93.3	Very high	87.6	Confident	121 Å²	121	79.8 Å²	79.8	62%	0.621	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.6	174.1	-63.1	172.8	0	0	0	107.6	E49 V50	I37-E49 HydrophobicContact CG2-CB 3.81Å; I37-V50 VanDerWaalsContact CA-O 3.31Å; I37-V50 WeakPolarHBondContact CA-O 3.32Å
38	R	91.9	Very high	89.1	Confident	67 Å²	67	77.4 Å²	77.4	25%	0.253	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.2	178.6	-64.7	-167.3	175.3	162.5	3.1	112.2	E36 E49 V50 D54	E36-R38 HydrophobicContact CG-CG 3.93Å; E36-R38 IonicContact OE1-CZ 3.83Å; E36-R38 IonicContact OE1-NE 3.67Å; E36-R38 PolarHBondContact OE1-NE 3.22Å; E36-R38 IonicContact OE1-NH2 3.97Å; E36-R38 PolarHBondContact OE1-NH2 3Å; R38-E49 WeakPolarHBondContact O-CA 3.46Å; R38-V50 PolarHBondContact N-O 2.85Å; R38-V50 PolarHBondContact O-N 3.34Å; R38-D54 IonicContact CZ-OD2 3.8Å; R38-D54 IonicContact NH1-OD2 3.92Å; R38-D54 PolarHBondContact NH1-OD2 3.38Å; R38-D54 IonicContact NH2-OD2 2.63Å; R38-D54 PolarHBondContact NH2-OD2 2.97Å
39	P	91.2	Very high	89.9	Confident	86 Å²	86	79.6 Å²	79.6	56%	0.558	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	133.9	158.3	-27.5	37.7	0	0	0	111.7	Y47	P39-Y47 HydrophobicContact CB-CE2 3.94Å; P39-Y47 HydrophobicContact CG-CE2 4.47Å
40	W	91.2	Very high	90.1	Very high	24 Å²	24	77.8 Å²	77.8	9%	0.091	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154	170.7	-176.4	77.9	0	0	0	109.9	Y47 M48 V50 V73 E96	W40-Y47 WeakPolarHBondContact O-CA 3.35Å; W40-M48 HydrophobicContact CE3-CE 3.65Å; W40-M48 HydrophobicContact CZ3-CE 3.47Å; W40-M48 VanDerWaalsContact CZ3-CE 3.47Å; W40-M48 PolarHBondContact N-O 2.85Å; W40-M48 PolarHBondContact O-N 3.09Å; W40-V50 HydrophobicContact CB-CB 4.41Å; W40-V50 HydrophobicContact CB-CG1 4.04Å; W40-V50 HydrophobicContact CB-CG2 3.45Å; W40-V50 VanDerWaalsContact CB-CG2 3.45Å; W40-V50 HydrophobicContact CE3-CG1 4.46Å; W40-V50 HydrophobicContact CG-CG2 4.08Å; W40-V73 HydrophobicContact CG-CG2 4.25Å; W40-E96 PolarHBondContact NE1-OE2 2.93Å
41	F	88.3	Confident	90.2	Very high	123 Å²	123	80 Å²	80	54%	0.539	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.1	175.9	-66.3	-92.6	0	0	0	108.6	V46 Y47	F41-V46 WeakPolarHBondContact CA-O 3.36Å; F41-Y47 HydrophobicContact CE1-CD2 4.06Å; F41-Y47 HydrophobicContact CE1-CG 4.43Å; F41-Y47 HydrophobicContact CE2-CD2 4.46Å; F41-Y47 AromaticContact CZ-CD2 3.9Å; F41-Y47 HydrophobicContact CZ-CD2 3.9Å
42	S	85.9	Confident	90.6	Very high	19 Å²	19	70 Å²	70	13%	0.133	37%	0.368	C	S	.	.			trans	-63.6	164.1	172.2	66.4	0	0	0	0	111.8	T44 S45 V46	S42-T44 PolarHBondContact O-N 3.33Å; S42-T44 PolarHBondContact OG-N 3.48Å; S42-T44 PolarHBondContact OG-OG1 3.42Å; S42-S45 WeakPolarHBondContact O-CA 3.47Å; S42-S45 PolarHBondContact O-N 2.89Å; S42-S45 PolarHBondContact OG-N 2.82Å; S42-V46 PolarHBondContact N-O 2.76Å; S42-V46 WeakPolarHBondContact OG-CB 3.38Å; S42-V46 PolarHBondContact OG-N 3.27Å
43	P	82.4	Confident	90.8	Very high	12 Å²	12	64.6 Å²	64.6	8%	0.078	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-14.5	164.3	-30.6	38.3	0	0	0	114.8	A119 Q143 E144 R168	P43-A119 HydrophobicContact CG-CB 4.41Å; P43-Q143 HydrophobicContact CB-CB 4.17Å; P43-Q143 HydrophobicContact CG-CB 4.04Å; P43-E144 HydrophobicContact CB-CG 3.93Å; P43-E144 WeakPolarHBondContact CB-OE1 3Å; P43-E144 HydrophobicContact CG-CG 3.87Å; P43-R168 PolarHBondContact O-NH1 3.3Å; P43-R168 PolarHBondContact O-NH2 3.41Å
44	T	82.3	Confident	90.9	Very high	99 Å²	99	65.3 Å²	65.3	61%	0.607	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	16.5	174.7	50.9	0	0	0	0	113.5	S42 V46	S42-T44 PolarHBondContact O-N 3.33Å; S42-T44 PolarHBondContact OG-N 3.48Å; S42-T44 PolarHBondContact OG-OG1 3.42Å; T44-V46 VanDerWaalsContact C-N 3.3Å; T44-V46 PolarHBondContact O-N 3.05Å
45	S	85.7	Confident	90.9	Very high	98 Å²	98	61.5 Å²	61.5	69%	0.685	32%	0.32	S	S	*	.			trans	60.8	26.2	178.1	-54.2	0	0	0	0	115.8	S42	S42-S45 WeakPolarHBondContact O-CA 3.47Å; S42-S45 PolarHBondContact O-N 2.89Å; S42-S45 PolarHBondContact OG-N 2.82Å
46	V	87.4	Confident	91	Very high	82 Å²	82	61.3 Å²	61.3	50%	0.497	32%	0.316	S	S	.	.			trans	-87.5	118.2	176.3	-176.1	0	0	0	0	109.9	F41 S42 T44	F41-V46 WeakPolarHBondContact CA-O 3.36Å; S42-V46 PolarHBondContact N-O 2.76Å; S42-V46 WeakPolarHBondContact OG-CB 3.38Å; S42-V46 PolarHBondContact OG-N 3.27Å; T44-V46 VanDerWaalsContact C-N 3.3Å; T44-V46 PolarHBondContact O-N 3.05Å
47	Y	89.9	Confident	91.1	Very high	123 Å²	123	63.4 Å²	63.4	48%	0.482	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.4	176.4	170.4	-91.2	0	0	0	112.4	P39 W40 F41 E49	P39-Y47 HydrophobicContact CB-CE2 3.94Å; P39-Y47 HydrophobicContact CG-CE2 4.47Å; W40-Y47 WeakPolarHBondContact O-CA 3.35Å; F41-Y47 HydrophobicContact CE1-CD2 4.06Å; F41-Y47 HydrophobicContact CE1-CG 4.43Å; F41-Y47 HydrophobicContact CE2-CD2 4.46Å; F41-Y47 AromaticContact CZ-CD2 3.9Å; F41-Y47 HydrophobicContact CZ-CD2 3.9Å; Y47-E49 HydrophobicContact CE1-CG 4.41Å; Y47-E49 WeakPolarHBondContact OH-CG 3.39Å
48	M	90.1	Very high	91.2	Very high	83 Å²	83	60.1 Å²	60.1	41%	0.409	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.2	167.7	-65.5	-169.3	-66.2	0	0	110.8	W40 V50	W40-M48 HydrophobicContact CE3-CE 3.65Å; W40-M48 HydrophobicContact CZ3-CE 3.47Å; W40-M48 VanDerWaalsContact CZ3-CE 3.47Å; W40-M48 PolarHBondContact N-O 2.85Å; W40-M48 PolarHBondContact O-N 3.09Å; M48-V50 HydrophobicContact CB-CG1 4.16Å
49	E	91.3	Very high	91.3	Very high	133 Å²	133	58.7 Å²	58.7	62%	0.621	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.3	164.7	-65.9	-173.3	142.7	0	0	108.6	I37 R38 Y47	I37-E49 HydrophobicContact CG2-CB 3.81Å; R38-E49 WeakPolarHBondContact O-CA 3.46Å; Y47-E49 HydrophobicContact CE1-CG 4.41Å; Y47-E49 WeakPolarHBondContact OH-CG 3.39Å
50	V	92.9	Very high	91.4	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153	-170.8	-58.2	0	0	0	0	112.2	I37 R38 W40 M48 T52 Q72 V73	I37-V50 VanDerWaalsContact CA-O 3.31Å; I37-V50 WeakPolarHBondContact CA-O 3.32Å; R38-V50 PolarHBondContact N-O 2.85Å; R38-V50 PolarHBondContact O-N 3.34Å; W40-V50 HydrophobicContact CB-CB 4.41Å; W40-V50 HydrophobicContact CB-CG1 4.04Å; W40-V50 HydrophobicContact CB-CG2 3.45Å; W40-V50 VanDerWaalsContact CB-CG2 3.45Å; W40-V50 HydrophobicContact CE3-CG1 4.46Å; W40-V50 HydrophobicContact CG-CG2 4.08Å; M48-V50 HydrophobicContact CB-CG1 4.16Å; V50-T52 PolarHBondContact O-N 3.1Å; V50-Q72 VanDerWaalsContact CA-OE1 3.31Å; V50-Q72 HydrophobicContact CB-CB 3.99Å; V50-V73 HydrophobicContact CG2-CG2 3.57Å
51	Q	94.2	Very high	91.5	Very high	66 Å²	66	61.6 Å²	61.6	31%	0.308	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	109.3	175.1	-175.6	170.2	12.9	0	0	110.8	G70 Q72 V73	Q51-G70 VanDerWaalsContact OE1-C 3.3Å; Q51-G70 PolarHBondContact OE1-O 3.33Å; Q51-Q72 PolarHBondContact O-N 2.87Å; Q51-V73 PolarHBondContact O-N 3.4Å
52	T	95.9	Very high	91.6	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.9	178.8	-55.5	0	0	0	0	111.1	C35 E36 V50 V73 L75	C35-T52 WeakPolarHBondContact CA-O 3.36Å; E36-T52 PolarHBondContact N-O 3.1Å; E36-T52 VanDerWaalsContact N-O 3.09Å; E36-T52 PolarHBondContact O-N 2.92Å; V50-T52 PolarHBondContact O-N 3.1Å; T52-V73 CarbonylContact C-O 3.34Å; T52-V73 WeakPolarHBondContact CA-O 3.4Å; T52-V73 HydrophobicContact CG2-CB 4.1Å; T52-V73 HydrophobicContact CG2-CG1 4Å; T52-L75 HydrophobicContact CG2-CD1 3.92Å; T52-L75 HydrophobicContact CG2-CG 4.17Å
53	V	96.3	Very high	91.8	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.5	165.4	-179.5	0	0	0	0	108.2	C33 C35 L67 P68 T71 V73 L74 L75	C33-V53 HydrophobicContact CB-CG1 4.12Å; C35-V53 HydrophobicContact CB-CG2 4.45Å; V53-L67 HydrophobicContact CG1-CD2 4.19Å; V53-P68 HydrophobicContact CG2-CG 4.18Å; V53-T71 HydrophobicContact CB-CG2 4.13Å; V53-T71 HydrophobicContact CG2-CG2 3.7Å; V53-T71 WeakPolarHBondContact CG2-OG1 3.25Å; V53-V73 PolarHBondContact N-O 2.85Å; V53-L74 HydrophobicContact CB-CD1 4.12Å; V53-L74 HydrophobicContact CG1-CD1 4.17Å; V53-L75 PolarHBondContact O-N 3.26Å
54	D	96	Very high	92.1	Very high	29 Å²	29	65.9 Å²	65.9	16%	0.155	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112.8	-178.8	-174	-25.4	0	0	0	109.8	C33 V34 R38 N56	C33-D54 CarbonylContact C-O 3.26Å; C33-D54 WeakPolarHBondContact CA-O 3.43Å; C33-D54 WeakPolarHBondContact CB-O 3.29Å; V34-D54 HydrophobicContact CB-CB 4.38Å; V34-D54 PolarHBondContact N-O 2.9Å; V34-D54 PolarHBondContact O-N 3.4Å; R38-D54 IonicContact CZ-OD2 3.8Å; R38-D54 IonicContact NH1-OD2 3.92Å; R38-D54 PolarHBondContact NH1-OD2 3.38Å; R38-D54 IonicContact NH2-OD2 2.63Å; R38-D54 PolarHBondContact NH2-OD2 2.97Å; D54-N56 VanDerWaalsContact CG-ND2 3.27Å; D54-N56 WeakPolarHBondContact OD1-CB 3.3Å; D54-N56 VanDerWaalsContact OD1-CG 3.23Å; D54-N56 PolarHBondContact OD1-N 3.27Å; D54-N56 VanDerWaalsContact OD1-N 3.09Å; D54-N56 PolarHBondContact OD1-ND2 2.81Å; D54-N56 PolarHBondContact OD2-ND2 2.75Å
55	C	95.6	Very high	92.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.345	C	S	.	.			trans	-121.6	27.7	177.9	-63.1	0	0	0	0	111.2	C33 L60 L75 L76 N79	C33-C55 HydrophobicContact CB-CB 4.07Å; C33-C55 WeakPolarHBondContact CB-SG 3.44Å; C33-C55 WeakPolarHBondContact SG-CB 3.42Å; C33-C55 CovalentContact SG-SG 2.03Å; C33-C55 PolarHBondContact SG-SG 3.14Å; C55-L60 HydrophobicContact CB-CD1 3.87Å; C55-L75 WeakPolarHBondContact CA-O 3.48Å; C55-L75 WeakPolarHBondContact CB-O 3.15Å; C55-L75 PolarHBondContact N-O 2.97Å; C55-L76 HydrophobicContact CB-CD2 3.54Å; C55-L76 HydrophobicContact CB-CG 4.35Å; C55-N79 PolarHBondContact O-ND2 2.85Å
56	N	95.8	Very high	92.1	Very high	30 Å²	30	72.4 Å²	72.4	16%	0.16	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	139.8	-172.6	-61.5	-45.7	0	0	0	112.6	D54 V58 L75 L76 Q77	D54-N56 VanDerWaalsContact CG-ND2 3.27Å; D54-N56 WeakPolarHBondContact OD1-CB 3.3Å; D54-N56 VanDerWaalsContact OD1-CG 3.23Å; D54-N56 PolarHBondContact OD1-N 3.27Å; D54-N56 VanDerWaalsContact OD1-N 3.09Å; D54-N56 PolarHBondContact OD1-ND2 2.81Å; D54-N56 PolarHBondContact OD2-ND2 2.75Å; N56-V58 VanDerWaalsContact C-N 3.33Å; N56-V58 VanDerWaalsContact O-CG1 3.24Å; N56-V58 WeakPolarHBondContact O-CG1 3.39Å; N56-V58 PolarHBondContact O-N 3.04Å; N56-L75 VanDerWaalsContact ND2-CB 3.35Å; N56-L75 WeakPolarHBondContact ND2-CB 3.2Å; N56-L75 VanDerWaalsContact OD1-C 3.25Å; N56-L75 VanDerWaalsContact OD1-CB 3.3Å; N56-L75 WeakPolarHBondContact OD1-CB 3.47Å; N56-L75 PolarHBondContact OD1-O 2.85Å; N56-L76 PolarHBondContact OD1-N 2.94Å; N56-Q77 WeakPolarHBondContact CA-O 3.38Å; N56-Q77 HydrophobicContact CB-CG 3.96Å; N56-Q77 VanDerWaalsContact CG-NE2 3.28Å; N56-Q77 PolarHBondContact ND2-NE2 2.83Å; N56-Q77 WeakPolarHBondContact OD1-CG 3.47Å; N56-Q77 PolarHBondContact OD1-N 3.07Å; N56-Q77 PolarHBondContact OD1-NE2 2.92Å; N56-Q77 VanDerWaalsContact OD1-NE2 3.17Å
57	D	95.6	Very high	92.2	Very high	128 Å²	128	68.8 Å²	68.8	68%	0.684	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40.1	177.9	-166.3	32.1	0	0	0	114.9	Q77 T78	D57-Q77 PolarHBondContact N-O 2.87Å; D57-Q77 VanDerWaalsContact N-O 3.12Å; D57-T78 WeakPolarHBondContact CA-O 3.2Å
58	V	94.6	Very high	92.3	Very high	53 Å²	53	63.6 Å²	63.6	32%	0.321	31%	0.305	S	S	.	.	S	Bend	trans	-114.8	13.1	178.6	-45.4	0	0	0	0	114.5	L32 N56 L60	L32-V58 HydrophobicContact CB-CB 4.48Å; L32-V58 HydrophobicContact CB-CG2 4Å; L32-V58 WeakPolarHBondContact O-CG1 3.34Å; N56-V58 VanDerWaalsContact C-N 3.33Å; N56-V58 VanDerWaalsContact O-CG1 3.24Å; N56-V58 WeakPolarHBondContact O-CG1 3.39Å; N56-V58 PolarHBondContact O-N 3.04Å; V58-L60 HydrophobicContact CG2-CD1 3.99Å; V58-L60 HydrophobicContact CG2-CD2 4Å; V58-L60 HydrophobicContact CG2-CG 3.62Å
59	G	93.7	Very high	92.3	Very high	37 Å²	37	64.6 Å²	64.6	38%	0.381	32%	0.316	S	S	.	.			trans	69.4	33	171.1	0	0	0	0	0	114.8	F61 N79	G59-F61 WeakPolarHBondContact O-CD2 3.42Å; G59-F61 PolarHBondContact O-N 3.15Å; G59-N79 PolarHBondContact N-OD1 3.34Å; G59-N79 VanDerWaalsContact N-OD1 3.1Å
60	L	94	Very high	92.2	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.094	30%	0.3	C	S	.	.			trans	-73.2	118.4	-179.6	-63.4	178.9	0	0	0	111.8	L32 C55 V58 R62 L76 N79 N80 V81	L32-L60 HydrophobicContact CD1-CD2 4.02Å; C55-L60 HydrophobicContact CB-CD1 3.87Å; V58-L60 HydrophobicContact CG2-CD1 3.99Å; V58-L60 HydrophobicContact CG2-CD2 4Å; V58-L60 HydrophobicContact CG2-CG 3.62Å; L60-R62 VanDerWaalsContact C-N 3.31Å; L60-L76 HydrophobicContact CD1-CD2 3.6Å; L60-N79 HydrophobicContact CB-CB 4.36Å; L60-N79 WeakPolarHBondContact CB-OD1 3.5Å; L60-N79 PolarHBondContact N-OD1 2.81Å; L60-N80 CarbonylContact O-C 3.22Å; L60-N80 WeakPolarHBondContact O-CA 3.42Å; L60-N80 PolarHBondContact O-N 3.45Å; L60-V81 HydrophobicContact CB-CG2 4.27Å; L60-V81 WeakPolarHBondContact O-CG2 3.42Å; L60-V81 PolarHBondContact O-N 3.41Å; L60-V81 VanDerWaalsContact O-N 3.08Å
61	F	93.1	Very high	92.3	Very high	153 Å²	153	59.5 Å²	59.5	67%	0.671	30%	0.299	S	S	*	.	S	Bend	trans	-82.3	-10.7	166.6	-66.8	-89	0	0	0	113.3	G59 N80	G59-F61 WeakPolarHBondContact O-CD2 3.42Å; G59-F61 PolarHBondContact O-N 3.15Å; F61-N80 WeakPolarHBondContact CA-O 3.41Å; F61-N80 HydrophobicContact CD1-CB 3.63Å; F61-N80 HydrophobicContact CE1-CB 3.62Å; F61-N80 HydrophobicContact CG-CB 4.11Å; F61-N80 HydrophobicContact CZ-CB 4.08Å
62	R	91.1	Very high	92.3	Very high	185 Å²	185	58.9 Å²	58.9	70%	0.698	30%	0.296	S	S	*	.	S	Bend	trans	-162.2	152.7	-177.5	62.6	-175.9	-178.2	177.3	2	109.8	L60	L60-R62 VanDerWaalsContact C-N 3.31Å
63	L	90.6	Very high	92.4	Very high	29 Å²	29	58.8 Å²	58.8	15%	0.152	30%	0.296	C	S	.	.			trans	-61.5	153.4	175.5	-80.5	68	0	0	0	111.9	L76 V81 I84 L88	L63-L76 HydrophobicContact CD1-CD1 4.14Å; L63-L76 HydrophobicContact CD2-CD1 4.09Å; L63-L76 HydrophobicContact CG-CD1 3.85Å; L63-V81 HydrophobicContact CD1-CG1 3.85Å; L63-V81 HydrophobicContact CD1-CG2 4.3Å; L63-I84 HydrophobicContact CD1-CD1 3.88Å; L63-I84 HydrophobicContact CD1-CG1 3.82Å; L63-I84 HydrophobicContact CD2-CD1 4.23Å; L63-I84 HydrophobicContact CD2-CG2 4.25Å; L63-L88 HydrophobicContact CD2-CD1 4.22Å; L63-L88 HydrophobicContact CD2-CD2 4.23Å
64	P	88.4	Confident	92.3	Very high	29 Å²	29	58.8 Å²	58.8	19%	0.188	30%	0.296	C	S	.	.			trans	-52.8	152	168.8	-27.3	36.6	0	0	0	113.3	P30 R66 L67	P30-P64 HydrophobicContact CB-CB 3.84Å; P30-P64 HydrophobicContact CB-CG 3.77Å; P30-P64 HydrophobicContact CG-CB 3.73Å; P30-P64 HydrophobicContact CG-CG 3.77Å; P64-R66 PolarHBondContact O-N 3.25Å; P64-L67 HydrophobicContact CB-CD2 4.14Å; P64-L67 HydrophobicContact CG-CD2 4.04Å
65	E	83.3	Confident	92.4	Very high	149 Å²	149	58.4 Å²	58.4	70%	0.696	29%	0.294	S	S	*	.	S	Bend	trans	-67.2	-22.7	-176.5	-71.9	-130.9	98.8	0	0	114.6	K86	E65-K86 IonicContact OE1-NZ 2.67Å; E65-K86 PolarHBondContact OE1-NZ 3Å
66	R	84.1	Confident	92.4	Very high	186 Å²	186	58.4 Å²	58.4	70%	0.702	29%	0.294	S	S	*	.			trans	-147.2	147.3	173.6	-64.3	-175.3	-178.8	-179.4	-1.2	108.5	P64	P64-R66 PolarHBondContact O-N 3.25Å
67	L	90.8	Very high	92.4	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	30%	0.302	C	S	.	.			trans	-120.3	154.1	168.2	-62.6	169.5	0	0	0	108.3	P30 V53 P64 V69 L74 L88 Y90 L91	P30-L67 HydrophobicContact CG-CD2 3.83Å; V53-L67 HydrophobicContact CG1-CD2 4.19Å; P64-L67 HydrophobicContact CB-CD2 4.14Å; P64-L67 HydrophobicContact CG-CD2 4.04Å; L67-V69 PolarHBondContact O-N 2.93Å; L67-L74 HydrophobicContact CD1-CD1 3.92Å; L67-L74 HydrophobicContact CD1-CD2 3.69Å; L67-L74 HydrophobicContact CD1-CG 4.47Å; L67-L74 HydrophobicContact CD2-CD1 4.23Å; L67-L88 HydrophobicContact CD1-CD2 4.49Å; L67-Y90 PolarHBondContact N-OH 3.01Å; L67-L91 HydrophobicContact CB-CD1 4.23Å; L67-L91 HydrophobicContact CB-CD2 4.34Å; L67-L91 HydrophobicContact CD1-CD1 3.85Å
68	P	91.7	Very high	92.4	Very high	14 Å²	14	56.9 Å²	56.9	9%	0.091	29%	0.285	C	S	.	.			trans	-55.3	131.3	174.1	-25.2	33.9	0	0	0	111.7	V53 G70 T71 L91	V53-P68 HydrophobicContact CG2-CG 4.18Å; P68-G70 PolarHBondContact O-N 2.99Å; P68-G70 VanDerWaalsContact O-N 3.14Å; P68-T71 WeakPolarHBondContact O-CB 3.33Å; P68-T71 PolarHBondContact O-N 3.13Å; P68-T71 PolarHBondContact O-OG1 3.25Å; P68-L91 VanDerWaalsContact O-CD2 3.29Å; P68-L91 WeakPolarHBondContact O-CD2 3.45Å
69	V	89.2	Confident	92.5	Very high	104 Å²	104	54.7 Å²	54.7	63%	0.63	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.5	-175.3	-176.6	0	0	0	0	112.7	L67 T71	L67-V69 PolarHBondContact O-N 2.93Å; V69-T71 VanDerWaalsContact C-N 3.31Å; V69-T71 PolarHBondContact O-N 2.59Å
70	G	89.7	Confident	92.6	Very high	28 Å²	28	55.9 Å²	55.9	29%	0.289	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1	175.4	0	0	0	0	0	115.6	Q51 P68 Q72	Q51-G70 VanDerWaalsContact OE1-C 3.3Å; Q51-G70 PolarHBondContact OE1-O 3.33Å; P68-G70 PolarHBondContact O-N 2.99Å; P68-G70 VanDerWaalsContact O-N 3.14Å; G70-Q72 PolarHBondContact O-N 2.72Å
71	T	94.1	Very high	92.7	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.			trans	-57.8	123.4	-178	-56	0	0	0	0	111.4	V53 P68 V69 V73 L74	V53-T71 HydrophobicContact CB-CG2 4.13Å; V53-T71 HydrophobicContact CG2-CG2 3.7Å; V53-T71 WeakPolarHBondContact CG2-OG1 3.25Å; P68-T71 WeakPolarHBondContact O-CB 3.33Å; P68-T71 PolarHBondContact O-N 3.13Å; P68-T71 PolarHBondContact O-OG1 3.25Å; V69-T71 VanDerWaalsContact C-N 3.31Å; V69-T71 PolarHBondContact O-N 2.59Å; T71-V73 WeakPolarHBondContact CG2-O 3.36Å; T71-L74 HydrophobicContact CG2-CB 4.32Å
72	Q	95.1	Very high	92.7	Very high	53 Å²	53	49.9 Å²	49.9	25%	0.248	25%	0.251	C	S	.	.			trans	-103.9	-36	175.8	-67.1	175.6	-88.8	0	0	111.6	V50 Q51 G70 N93 I94 T95 E96	V50-Q72 VanDerWaalsContact CA-OE1 3.31Å; V50-Q72 HydrophobicContact CB-CB 3.99Å; Q51-Q72 PolarHBondContact O-N 2.87Å; G70-Q72 PolarHBondContact O-N 2.72Å; Q72-N93 HydrophobicContact CG-CB 4.46Å; Q72-I94 CarbonylContact O-C 3.46Å; Q72-I94 WeakPolarHBondContact O-CG1 3.48Å; Q72-T95 PolarHBondContact O-N 3.24Å; Q72-T95 PolarHBondContact O-OG1 3.31Å; Q72-T95 VanDerWaalsContact O-OG1 3.09Å; Q72-E96 PolarHBondContact O-N 3.13Å
73	V	96.8	Very high	92.8	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.4	178.2	179	0	0	0	0	108.9	W40 V50 Q51 T52 V53 T71 L75 E96	W40-V73 HydrophobicContact CG-CG2 4.25Å; V50-V73 HydrophobicContact CG2-CG2 3.57Å; Q51-V73 PolarHBondContact O-N 3.4Å; T52-V73 CarbonylContact C-O 3.34Å; T52-V73 WeakPolarHBondContact CA-O 3.4Å; T52-V73 HydrophobicContact CG2-CB 4.1Å; T52-V73 HydrophobicContact CG2-CG1 4Å; V53-V73 PolarHBondContact N-O 2.85Å; T71-V73 WeakPolarHBondContact CG2-O 3.36Å; V73-L75 HydrophobicContact CG1-CD2 3.65Å; V73-L75 HydrophobicContact CG1-CG 3.99Å; V73-E96 HydrophobicContact CB-CB 4.49Å; V73-E96 HydrophobicContact CG1-CB 4.18Å; V73-E96 HydrophobicContact CG1-CG 4.31Å; V73-E96 WeakPolarHBondContact CG1-OE1 3.08Å; V73-E96 HydrophobicContact CG2-CB 4.14Å
74	L	95.9	Very high	92.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.2	177.4	176.5	62.8	0	0	0	109.7	V53 L67 T71 L76 L88 I94 E96 I97 D98	V53-L74 HydrophobicContact CB-CD1 4.12Å; V53-L74 HydrophobicContact CG1-CD1 4.17Å; L67-L74 HydrophobicContact CD1-CD1 3.92Å; L67-L74 HydrophobicContact CD1-CD2 3.69Å; L67-L74 HydrophobicContact CD1-CG 4.47Å; L67-L74 HydrophobicContact CD2-CD1 4.23Å; T71-L74 HydrophobicContact CG2-CB 4.32Å; L74-L76 HydrophobicContact CD1-CD1 4.21Å; L74-L76 HydrophobicContact CD1-CG 4.28Å; L74-L76 HydrophobicContact CD2-CD1 3.85Å; L74-L76 HydrophobicContact CG-CD1 3.85Å; L74-L76 HydrophobicContact CG-CG 4.23Å; L74-L88 HydrophobicContact CD2-CD1 4.28Å; L74-I94 HydrophobicContact CB-CD1 3.88Å; L74-I94 HydrophobicContact CD2-CD1 4.39Å; L74-E96 PolarHBondContact N-O 2.85Å; L74-I97 HydrophobicContact CB-CG1 4.47Å; L74-D98 PolarHBondContact O-N 2.86Å
75	L	97	Very high	92.7	Very high	22 Å²	22	47 Å²	47	12%	0.115	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.6	-179.7	-48.5	173.9	0	0	0	110	T52 V53 C55 N56 V73 D98	T52-L75 HydrophobicContact CG2-CD1 3.92Å; T52-L75 HydrophobicContact CG2-CG 4.17Å; V53-L75 PolarHBondContact O-N 3.26Å; C55-L75 WeakPolarHBondContact CA-O 3.48Å; C55-L75 WeakPolarHBondContact CB-O 3.15Å; C55-L75 PolarHBondContact N-O 2.97Å; N56-L75 VanDerWaalsContact ND2-CB 3.35Å; N56-L75 WeakPolarHBondContact ND2-CB 3.2Å; N56-L75 VanDerWaalsContact OD1-C 3.25Å; N56-L75 VanDerWaalsContact OD1-CB 3.3Å; N56-L75 WeakPolarHBondContact OD1-CB 3.47Å; N56-L75 PolarHBondContact OD1-O 2.85Å; V73-L75 HydrophobicContact CG1-CD2 3.65Å; V73-L75 HydrophobicContact CG1-CG 3.99Å; L75-D98 HydrophobicContact CD2-CB 3.87Å
76	L	95.9	Very high	92.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.			trans	-129.6	22.3	-179.4	-71	157.6	0	0	0	111.7	C55 N56 L60 L63 L74 N79 D98 L99 N102	C55-L76 HydrophobicContact CB-CD2 3.54Å; C55-L76 HydrophobicContact CB-CG 4.35Å; N56-L76 PolarHBondContact OD1-N 2.94Å; L60-L76 HydrophobicContact CD1-CD2 3.6Å; L63-L76 HydrophobicContact CD1-CD1 4.14Å; L63-L76 HydrophobicContact CD2-CD1 4.09Å; L63-L76 HydrophobicContact CG-CD1 3.85Å; L74-L76 HydrophobicContact CD1-CD1 4.21Å; L74-L76 HydrophobicContact CD1-CG 4.28Å; L74-L76 HydrophobicContact CD2-CD1 3.85Å; L74-L76 HydrophobicContact CG-CD1 3.85Å; L74-L76 HydrophobicContact CG-CG 4.23Å; L76-N79 WeakPolarHBondContact O-CB 3.28Å; L76-N79 PolarHBondContact O-ND2 3.49Å; L76-D98 WeakPolarHBondContact CA-O 3.47Å; L76-D98 WeakPolarHBondContact CB-O 3.48Å; L76-D98 PolarHBondContact N-O 3.09Å; L76-L99 HydrophobicContact CB-CD2 4.04Å; L76-L99 HydrophobicContact CD1-CD2 3.7Å; L76-N102 PolarHBondContact O-ND2 2.88Å
77	Q	95.6	Very high	92.8	Very high	69 Å²	69	39.6 Å²	39.6	32%	0.322	23%	0.225	S	C	.	.			trans	-61.6	153.1	-176.8	89.3	-156.4	-100.8	0	0	112.5	N56 D57 N79 D98 S100	N56-Q77 WeakPolarHBondContact CA-O 3.38Å; N56-Q77 HydrophobicContact CB-CG 3.96Å; N56-Q77 VanDerWaalsContact CG-NE2 3.28Å; N56-Q77 PolarHBondContact ND2-NE2 2.83Å; N56-Q77 WeakPolarHBondContact OD1-CG 3.47Å; N56-Q77 PolarHBondContact OD1-N 3.07Å; N56-Q77 PolarHBondContact OD1-NE2 2.92Å; N56-Q77 VanDerWaalsContact OD1-NE2 3.17Å; D57-Q77 PolarHBondContact N-O 2.87Å; D57-Q77 VanDerWaalsContact N-O 3.12Å; Q77-N79 PolarHBondContact O-ND2 2.91Å; Q77-D98 WeakPolarHBondContact CB-OD2 3.35Å; Q77-D98 PolarHBondContact NE2-OD2 2.77Å; Q77-S100 WeakPolarHBondContact CA-O 3.4Å; Q77-S100 WeakPolarHBondContact CB-OG 3.35Å
78	T	96.1	Very high	92.8	Very high	56 Å²	56	39.6 Å²	39.6	34%	0.344	23%	0.225	S	C	.	.	S	Bend	trans	56.1	57.7	176.9	-38.2	0	0	0	0	111.9	D57 S100 Q101	D57-T78 WeakPolarHBondContact CA-O 3.2Å; T78-S100 PolarHBondContact N-O 3.26Å; T78-Q101 WeakPolarHBondContact CA-O 3.5Å; T78-Q101 PolarHBondContact N-O 2.89Å; T78-Q101 PolarHBondContact OG1-OE1 2.93Å
79	N	96.8	Very high	92.5	Very high	8 Å²	8	43 Å²	43	4%	0.043	24%	0.242	C	C	.	.	S	Bend	trans	-133.4	-177.1	-179	-84.6	-74	0	0	0	111.5	C55 G59 L60 L76 Q77 V81 Q101 N102	C55-N79 PolarHBondContact O-ND2 2.85Å; G59-N79 PolarHBondContact N-OD1 3.34Å; G59-N79 VanDerWaalsContact N-OD1 3.1Å; L60-N79 HydrophobicContact CB-CB 4.36Å; L60-N79 WeakPolarHBondContact CB-OD1 3.5Å; L60-N79 PolarHBondContact N-OD1 2.81Å; L76-N79 WeakPolarHBondContact O-CB 3.28Å; L76-N79 PolarHBondContact O-ND2 3.49Å; Q77-N79 PolarHBondContact O-ND2 2.91Å; N79-V81 HydrophobicContact CB-CG2 4.37Å; N79-Q101 PolarHBondContact N-O 2.63Å; N79-Q101 VanDerWaalsContact N-O 3.13Å; N79-N102 WeakPolarHBondContact CB-OD1 3.5Å; N79-N102 PolarHBondContact O-OD1 2.99Å
80	N	96.3	Very high	92.4	Very high	61 Å²	61	42.2 Å²	42.2	33%	0.326	23%	0.229	S	C	.	.			trans	-111.8	26.8	-177.9	-59.5	113.8	0	0	0	112.6	L60 F61 A82	L60-N80 CarbonylContact O-C 3.22Å; L60-N80 WeakPolarHBondContact O-CA 3.42Å; L60-N80 PolarHBondContact O-N 3.45Å; F61-N80 WeakPolarHBondContact CA-O 3.41Å; F61-N80 HydrophobicContact CD1-CB 3.63Å; F61-N80 HydrophobicContact CE1-CB 3.62Å; F61-N80 HydrophobicContact CG-CB 4.11Å; F61-N80 HydrophobicContact CZ-CB 4.08Å; N80-A82 PolarHBondContact O-N 2.99Å
81	V	95.2	Very high	92.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.			trans	-71.9	115.8	-176.5	-176.6	0	0	0	0	109.6	L60 L63 N79 I84 N102 N103 L104	L60-V81 HydrophobicContact CB-CG2 4.27Å; L60-V81 WeakPolarHBondContact O-CG2 3.42Å; L60-V81 PolarHBondContact O-N 3.41Å; L60-V81 VanDerWaalsContact O-N 3.08Å; L63-V81 HydrophobicContact CD1-CG1 3.85Å; L63-V81 HydrophobicContact CD1-CG2 4.3Å; N79-V81 HydrophobicContact CB-CG2 4.37Å; V81-I84 HydrophobicContact CG1-CG1 4.34Å; V81-N102 VanDerWaalsContact CB-OD1 3.25Å; V81-N102 WeakPolarHBondContact CB-OD1 3.11Å; V81-N102 WeakPolarHBondContact CG2-OD1 3.33Å; V81-N102 PolarHBondContact N-OD1 2.83Å; V81-N103 CarbonylContact O-C 3.59Å; V81-N103 WeakPolarHBondContact O-CA 3.47Å; V81-N103 WeakPolarHBondContact O-CB 3.24Å; V81-N103 PolarHBondContact O-N 3.29Å; V81-L104 HydrophobicContact CG1-CD2 4.37Å; V81-L104 WeakPolarHBondContact O-CD2 3.47Å; V81-L104 PolarHBondContact O-N 2.84Å
82	A	94.1	Very high	92.2	Very high	45 Å²	45	43.7 Å²	43.7	37%	0.372	24%	0.238	S	C	.	.			trans	-100	-20.5	177.3	0	0	0	0	0	114	N80 N103	N80-A82 PolarHBondContact O-N 2.99Å; A82-N103 HydrophobicContact CB-CB 4.28Å
83	K	92.8	Very high	92	Very high	75 Å²	75	45.8 Å²	45.8	33%	0.326	25%	0.251	S	S	.	.			trans	-158.3	137.5	177.5	-169.9	171.8	-176	66.9	0	113.1	V85 S108 D109 H111	K83-V85 HydrophobicContact CB-CG2 4.33Å; K83-V85 HydrophobicContact CD-CG2 3.87Å; K83-V85 HydrophobicContact CG-CG2 3.78Å; K83-S108 PolarHBondContact NZ-O 3.37Å; K83-D109 HydrophobicContact CB-CB 4.15Å; K83-D109 HydrophobicContact CD-CB 4.49Å; K83-D109 VanDerWaalsContact CD-OD1 3.27Å; K83-D109 WeakPolarHBondContact CD-OD1 3.3Å; K83-D109 WeakPolarHBondContact CE-OD1 3.32Å; K83-D109 HydrophobicContact CG-CB 3.86Å; K83-D109 WeakPolarHBondContact CG-O 3.4Å; K83-D109 IonicContact NZ-OD1 3.88Å; K83-D109 PolarHBondContact NZ-OD1 3.28Å; K83-H111 PolarHBondContact NZ-NE2 3.21Å
84	I	90.6	Very high	91.9	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-99	101	169.1	-49.8	-166.8	0	0	0	108.3	L63 V81 L99 D109 I110 H111 L112	L63-I84 HydrophobicContact CD1-CD1 3.88Å; L63-I84 HydrophobicContact CD1-CG1 3.82Å; L63-I84 HydrophobicContact CD2-CD1 4.23Å; L63-I84 HydrophobicContact CD2-CG2 4.25Å; V81-I84 HydrophobicContact CG1-CG1 4.34Å; I84-L99 HydrophobicContact CD1-CD1 3.64Å; I84-L99 HydrophobicContact CD1-CD2 3.96Å; I84-L99 HydrophobicContact CD1-CG 4.48Å; I84-D109 PolarHBondContact N-O 2.9Å; I84-I110 HydrophobicContact CD1-CG2 3.86Å; I84-I110 HydrophobicContact CG1-CG2 4.38Å; I84-H111 WeakPolarHBondContact O-CB 3.08Å; I84-H111 PolarHBondContact O-CD2 2.83Å; I84-H111 VanDerWaalsContact O-CD2 3.24Å; I84-H111 PolarHBondContact O-N 2.75Å; I84-L112 HydrophobicContact CD1-CD2 4.38Å
85	V	84.7	Confident	91.8	Very high	103 Å²	103	46.7 Å²	46.7	62%	0.624	26%	0.257	S	S	*	.			trans	-90.4	-27.3	-172.8	-177.4	0	0	0	0	113.2	K83	K83-V85 HydrophobicContact CB-CG2 4.33Å; K83-V85 HydrophobicContact CD-CG2 3.87Å; K83-V85 HydrophobicContact CG-CG2 3.78Å
86	K	85.4	Confident	91.8	Very high	117 Å²	117	47.2 Å²	47.2	51%	0.509	26%	0.258	S	S	.	.	S	Bend	trans	-102.6	129.1	178.3	-61.8	-179.6	-174.1	172.3	0	108.6	E65	E65-K86 IonicContact OE1-NZ 2.67Å; E65-K86 PolarHBondContact OE1-NZ 3Å
87	P	85.4	Confident	91.8	Very high	62 Å²	62	47.3 Å²	47.3	40%	0.403	26%	0.259	S	S	.	.			trans	-68.1	155.5	176.4	31.1	-36.1	0	0	0	112.1	D89 H111	P87-D89 VanDerWaalsContact CB-OD2 3.31Å; P87-D89 WeakPolarHBondContact CB-OD2 3.28Å; P87-D89 WeakPolarHBondContact CG-OD2 3.28Å; P87-H111 WeakPolarHBondContact CA-O 3.36Å
88	L	89.5	Confident	91.9	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	25%	0.247	C	C	.	.			trans	-100.7	15.2	-177.5	-60.4	-178.1	0	0	0	112.5	L63 L67 L74 Y90 L91 I97 L112 L115	L63-L88 HydrophobicContact CD2-CD1 4.22Å; L63-L88 HydrophobicContact CD2-CD2 4.23Å; L67-L88 HydrophobicContact CD1-CD2 4.49Å; L74-L88 HydrophobicContact CD2-CD1 4.28Å; L88-Y90 HydrophobicContact CD2-CE1 4.06Å; L88-Y90 PolarHBondContact O-N 2.85Å; L88-L91 HydrophobicContact CB-CD1 4.41Å; L88-L91 HydrophobicContact CD2-CD1 4.38Å; L88-L91 WeakPolarHBondContact O-CB 3.37Å; L88-L91 PolarHBondContact O-N 2.84Å; L88-I97 HydrophobicContact CD1-CD1 4.22Å; L88-L112 HydrophobicContact CD1-CD2 4.21Å; L88-L112 PolarHBondContact N-O 3.13Å; L88-L115 HydrophobicContact CB-CD1 4.41Å; L88-L115 HydrophobicContact CB-CD2 4.13Å; L88-L115 WeakPolarHBondContact O-CD2 3.43Å
89	D	85.5	Confident	92	Very high	86 Å²	86	42.1 Å²	42.1	46%	0.46	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-23.9	-179.8	-60.6	-56.2	0	0	0	115	P87 L91 G113 N114	P87-D89 VanDerWaalsContact CB-OD2 3.31Å; P87-D89 WeakPolarHBondContact CB-OD2 3.28Å; P87-D89 WeakPolarHBondContact CG-OD2 3.28Å; D89-L91 VanDerWaalsContact C-N 3.34Å; D89-G113 VanDerWaalsContact OD1-CA 3.27Å; D89-G113 WeakPolarHBondContact OD1-CA 3.09Å; D89-N114 PolarHBondContact OD1-N 3.46Å
90	Y	88.8	Confident	92	Very high	88 Å²	88	42.1 Å²	42.1	35%	0.345	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.1	178.8	70.7	-83.3	0	0	0	114	L67 L88 A92	L67-Y90 PolarHBondContact N-OH 3.01Å; L88-Y90 HydrophobicContact CD2-CE1 4.06Å; L88-Y90 PolarHBondContact O-N 2.85Å; Y90-A92 VanDerWaalsContact C-N 3.3Å; Y90-A92 PolarHBondContact O-N 2.87Å
91	L	91.4	Very high	92	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.			trans	-91.4	58.5	176.2	-59.2	-177.8	0	0	0	110.4	L67 P68 L88 D89 N93 I94	L67-L91 HydrophobicContact CB-CD1 4.23Å; L67-L91 HydrophobicContact CB-CD2 4.34Å; L67-L91 HydrophobicContact CD1-CD1 3.85Å; P68-L91 VanDerWaalsContact O-CD2 3.29Å; P68-L91 WeakPolarHBondContact O-CD2 3.45Å; L88-L91 HydrophobicContact CB-CD1 4.41Å; L88-L91 HydrophobicContact CD2-CD1 4.38Å; L88-L91 WeakPolarHBondContact O-CB 3.37Å; L88-L91 PolarHBondContact O-N 2.84Å; D89-L91 VanDerWaalsContact C-N 3.34Å; L91-N93 PolarHBondContact O-N 2.88Å; L91-I94 HydrophobicContact CB-CB 4.2Å; L91-I94 HydrophobicContact CB-CD1 4.45Å; L91-I94 HydrophobicContact CB-CG2 4.33Å; L91-I94 HydrophobicContact CD1-CD1 3.98Å; L91-I94 WeakPolarHBondContact O-CB 3.44Å; L91-I94 VanDerWaalsContact O-CG2 3.24Å; L91-I94 WeakPolarHBondContact O-CG2 3.19Å; L91-I94 PolarHBondContact O-N 2.71Å
92	A	87.3	Confident	92.1	Very high	59 Å²	59	42.9 Å²	42.9	49%	0.488	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.6	-171.2	0	0	0	0	0	115.2	Y90 Q117	Y90-A92 VanDerWaalsContact C-N 3.3Å; Y90-A92 PolarHBondContact O-N 2.87Å; A92-Q117 WeakPolarHBondContact O-CG 3.29Å
93	N	90.8	Very high	92.2	Very high	96 Å²	96	42.8 Å²	42.8	51%	0.513	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.1	-178.7	-66.4	2.6	0	0	0	113.8	Q72 L91 T95	Q72-N93 HydrophobicContact CG-CB 4.46Å; L91-N93 PolarHBondContact O-N 2.88Å; N93-T95 PolarHBondContact O-N 3.23Å
94	I	94.4	Very high	92.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.211	C	C	.	.			trans	-70.7	123.2	-175.3	-159.7	160.4	0	0	0	111.6	Q72 L74 L91 I97 L115 Q117 L118	Q72-I94 CarbonylContact O-C 3.46Å; Q72-I94 WeakPolarHBondContact O-CG1 3.48Å; L74-I94 HydrophobicContact CB-CD1 3.88Å; L74-I94 HydrophobicContact CD2-CD1 4.39Å; L91-I94 HydrophobicContact CB-CB 4.2Å; L91-I94 HydrophobicContact CB-CD1 4.45Å; L91-I94 HydrophobicContact CB-CG2 4.33Å; L91-I94 HydrophobicContact CD1-CD1 3.98Å; L91-I94 WeakPolarHBondContact O-CB 3.44Å; L91-I94 VanDerWaalsContact O-CG2 3.24Å; L91-I94 WeakPolarHBondContact O-CG2 3.19Å; L91-I94 PolarHBondContact O-N 2.71Å; I94-I97 HydrophobicContact CD1-CD1 3.88Å; I94-I97 HydrophobicContact CD1-CG1 3.55Å; I94-I97 HydrophobicContact CG1-CD1 4.48Å; I94-I97 HydrophobicContact CG1-CG1 4.02Å; I94-L115 HydrophobicContact CG2-CB 4.15Å; I94-L115 HydrophobicContact CG2-CD1 3.9Å; I94-L115 HydrophobicContact CG2-CD2 3.96Å; I94-L115 HydrophobicContact CG2-CG 4.23Å; I94-Q117 CarbonylContact O-C 3.46Å; I94-L118 HydrophobicContact CG2-CD1 4.39Å; I94-L118 WeakPolarHBondContact O-CA 3.32Å; I94-L118 PolarHBondContact O-N 2.88Å; I94-L118 VanDerWaalsContact O-N 3.1Å
95	T	95.2	Very high	92.5	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.135	23%	0.229	C	C	.	.			trans	-105	-24.9	-178.1	53.2	0	0	0	0	112.7	Q72 N93 A119 S120	Q72-T95 PolarHBondContact O-N 3.24Å; Q72-T95 PolarHBondContact O-OG1 3.31Å; Q72-T95 VanDerWaalsContact O-OG1 3.09Å; N93-T95 PolarHBondContact O-N 3.23Å; T95-A119 PolarHBondContact O-N 3.31Å; T95-S120 PolarHBondContact O-N 2.84Å; T95-S120 VanDerWaalsContact O-N 3.16Å
96	E	96.6	Very high	92.8	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.154	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	135.5	-178.8	-176.5	173.2	99.3	0	0	111.6	W40 Q72 V73 L74	W40-E96 PolarHBondContact NE1-OE2 2.93Å; Q72-E96 PolarHBondContact O-N 3.13Å; V73-E96 HydrophobicContact CB-CB 4.49Å; V73-E96 HydrophobicContact CG1-CB 4.18Å; V73-E96 HydrophobicContact CG1-CG 4.31Å; V73-E96 WeakPolarHBondContact CG1-OE1 3.08Å; V73-E96 HydrophobicContact CG2-CB 4.14Å; L74-E96 PolarHBondContact N-O 2.85Å
97	I	96.2	Very high	93.1	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.1	170.5	-68.7	173	0	0	0	107.9	L74 L88 I94 L99 L112 L115 L118 S120 L121 H122	L74-I97 HydrophobicContact CB-CG1 4.47Å; L88-I97 HydrophobicContact CD1-CD1 4.22Å; I94-I97 HydrophobicContact CD1-CD1 3.88Å; I94-I97 HydrophobicContact CD1-CG1 3.55Å; I94-I97 HydrophobicContact CG1-CD1 4.48Å; I94-I97 HydrophobicContact CG1-CG1 4.02Å; I97-L99 HydrophobicContact CG2-CD1 3.59Å; I97-L99 HydrophobicContact CG2-CG 3.73Å; I97-L112 HydrophobicContact CD1-CD1 4.44Å; I97-L112 HydrophobicContact CD1-CD2 3.97Å; I97-L115 HydrophobicContact CD1-CD1 3.47Å; I97-L115 VanDerWaalsContact CD1-CD1 3.47Å; I97-L118 HydrophobicContact CB-CD1 4.15Å; I97-L118 HydrophobicContact CD1-CD1 3.91Å; I97-L118 HydrophobicContact CD1-CD2 4.35Å; I97-L118 HydrophobicContact CG1-CD1 3.73Å; I97-S120 PolarHBondContact N-O 2.78Å; I97-L121 HydrophobicContact CB-CD1 4.05Å; I97-L121 HydrophobicContact CG2-CD1 4.01Å; I97-L121 WeakPolarHBondContact O-CA 3.14Å; I97-H122 PolarHBondContact O-N 2.81Å
98	D	97.4	Very high	93.1	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.08	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.4	170.8	177.4	11.2	0	0	0	110.9	L74 L75 L76 Q77 S100 H122	L74-D98 PolarHBondContact O-N 2.86Å; L75-D98 HydrophobicContact CD2-CB 3.87Å; L76-D98 WeakPolarHBondContact CA-O 3.47Å; L76-D98 WeakPolarHBondContact CB-O 3.48Å; L76-D98 PolarHBondContact N-O 3.09Å; Q77-D98 WeakPolarHBondContact CB-OD2 3.35Å; Q77-D98 PolarHBondContact NE2-OD2 2.77Å; D98-S100 WeakPolarHBondContact OD1-CB 3.32Å; D98-S100 PolarHBondContact OD1-N 3.3Å; D98-S100 PolarHBondContact OD1-OG 3Å; D98-H122 HydrophobicContact CB-CB 4.26Å
99	L	96.7	Very high	92.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.			trans	-123.4	23.3	176.3	-73.6	162.1	0	0	0	110.6	L76 I84 I97 N102 L104 I110 H122 L123 N126	L76-L99 HydrophobicContact CB-CD2 4.04Å; L76-L99 HydrophobicContact CD1-CD2 3.7Å; I84-L99 HydrophobicContact CD1-CD1 3.64Å; I84-L99 HydrophobicContact CD1-CD2 3.96Å; I84-L99 HydrophobicContact CD1-CG 4.48Å; I97-L99 HydrophobicContact CG2-CD1 3.59Å; I97-L99 HydrophobicContact CG2-CG 3.73Å; L99-N102 WeakPolarHBondContact O-CB 3.43Å; L99-L104 HydrophobicContact CB-CD1 4.33Å; L99-I110 HydrophobicContact CD1-CG2 4.14Å; L99-H122 CarbonylContact C-O 3.37Å; L99-H122 WeakPolarHBondContact CA-O 3.41Å; L99-H122 WeakPolarHBondContact CB-O 3.46Å; L99-H122 PolarHBondContact N-O 2.9Å; L99-L123 HydrophobicContact CB-CD2 3.77Å; L99-L123 HydrophobicContact CD1-CD2 4.14Å; L99-N126 PolarHBondContact O-ND2 3.2Å
100	S	97.6	Very high	92.7	Very high	8 Å²	8	31 Å²	31	6%	0.056	18%	0.177	C	C	.	.			trans	-62.4	159.9	176	62.1	0	0	0	0	112.5	Q77 T78 D98 N102 E124	Q77-S100 WeakPolarHBondContact CA-O 3.4Å; Q77-S100 WeakPolarHBondContact CB-OG 3.35Å; T78-S100 PolarHBondContact N-O 3.26Å; D98-S100 WeakPolarHBondContact OD1-CB 3.32Å; D98-S100 PolarHBondContact OD1-N 3.3Å; D98-S100 PolarHBondContact OD1-OG 3Å; S100-N102 VanDerWaalsContact C-N 3.33Å; S100-N102 PolarHBondContact O-N 2.72Å; S100-N102 PolarHBondContact O-ND2 3.06Å; S100-E124 CarbonylContact C-O 3.12Å; S100-E124 VanDerWaalsContact CA-O 3.26Å; S100-E124 WeakPolarHBondContact CA-O 3.33Å
101	Q	97.3	Very high	92.5	Very high	71 Å²	71	31 Å²	31	33%	0.332	18%	0.18	S	C	.	.	S	Bend	trans	49.5	51.7	176.1	-63.9	177.9	7.7	0	0	112.7	T78 N79 E124 E125	T78-Q101 WeakPolarHBondContact CA-O 3.5Å; T78-Q101 PolarHBondContact N-O 2.89Å; T78-Q101 PolarHBondContact OG1-OE1 2.93Å; N79-Q101 PolarHBondContact N-O 2.63Å; N79-Q101 VanDerWaalsContact N-O 3.13Å; Q101-E124 PolarHBondContact N-O 3.46Å; Q101-E125 HydrophobicContact CB-CB 4.4Å; Q101-E125 HydrophobicContact CG-CB 3.65Å; Q101-E125 HydrophobicContact CG-CG 4.2Å; Q101-E125 PolarHBondContact NE2-OE1 3.21Å
102	N	97	Very high	92.2	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.032	18%	0.182	C	C	.	.	S	Bend	trans	-127.3	-172.1	-178.2	-94.7	-88	0	0	0	111.4	L76 N79 V81 L99 S100 L104 N126	L76-N102 PolarHBondContact O-ND2 2.88Å; N79-N102 WeakPolarHBondContact CB-OD1 3.5Å; N79-N102 PolarHBondContact O-OD1 2.99Å; V81-N102 VanDerWaalsContact CB-OD1 3.25Å; V81-N102 WeakPolarHBondContact CB-OD1 3.11Å; V81-N102 WeakPolarHBondContact CG2-OD1 3.33Å; V81-N102 PolarHBondContact N-OD1 2.83Å; L99-N102 WeakPolarHBondContact O-CB 3.43Å; S100-N102 VanDerWaalsContact C-N 3.33Å; S100-N102 PolarHBondContact O-N 2.72Å; S100-N102 PolarHBondContact O-ND2 3.06Å; N102-L104 HydrophobicContact CB-CG 4.47Å; N102-N126 WeakPolarHBondContact CA-OD1 3.1Å; N102-N126 WeakPolarHBondContact CB-OD1 3.37Å; N102-N126 PolarHBondContact N-ND2 3.36Å; N102-N126 PolarHBondContact O-OD1 2.93Å
103	N	96.4	Very high	92.1	Very high	44 Å²	44	29.7 Å²	29.7	24%	0.235	17%	0.17	C	C	.	.			trans	-107.8	20.2	-164.2	-141.4	107.1	0	0	0	112	V81 A82 N126 W127	V81-N103 CarbonylContact O-C 3.59Å; V81-N103 WeakPolarHBondContact O-CA 3.47Å; V81-N103 WeakPolarHBondContact O-CB 3.24Å; V81-N103 PolarHBondContact O-N 3.29Å; A82-N103 HydrophobicContact CB-CB 4.28Å; N103-N126 PolarHBondContact N-OD1 2.75Å; N103-W127 WeakPolarHBondContact ND2-CH2 3.42Å; N103-W127 WeakPolarHBondContact ND2-CZ3 3.23Å; N103-W127 WeakPolarHBondContact OD1-CH2 3.5Å
104	L	95.4	Very high	91.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.			trans	-78.8	126.6	-171.6	-57	169	0	0	0	111.3	V81 L99 N102 I110 L123 N126 W127 I128	V81-L104 HydrophobicContact CG1-CD2 4.37Å; V81-L104 WeakPolarHBondContact O-CD2 3.47Å; V81-L104 PolarHBondContact O-N 2.84Å; L99-L104 HydrophobicContact CB-CD1 4.33Å; N102-L104 HydrophobicContact CB-CG 4.47Å; L104-I110 HydrophobicContact CD1-CD1 3.83Å; L104-I110 HydrophobicContact CD1-CG1 4.18Å; L104-I110 HydrophobicContact CD2-CG1 4.43Å; L104-L123 HydrophobicContact CD1-CD2 3.89Å; L104-N126 HydrophobicContact CB-CB 4.29Å; L104-N126 VanDerWaalsContact CB-OD1 3.23Å; L104-N126 WeakPolarHBondContact CB-OD1 3.5Å; L104-N126 WeakPolarHBondContact CD1-OD1 3.17Å; L104-N126 VanDerWaalsContact CG-OD1 3.26Å; L104-N126 WeakPolarHBondContact CG-OD1 3.26Å; L104-N126 PolarHBondContact N-OD1 3.41Å; L104-N126 VanDerWaalsContact N-OD1 3.16Å; L104-W127 CarbonylContact O-C 3.54Å; L104-W127 VanDerWaalsContact O-C 3.28Å; L104-W127 WeakPolarHBondContact O-CA 3.38Å; L104-W127 PolarHBondContact O-N 2.84Å; L104-I128 PolarHBondContact O-N 3.17Å
105	S	93.3	Very high	91.7	Very high	57 Å²	57	30 Å²	30	40%	0.399	17%	0.172	S	C	.	.			trans	-104.4	-17.6	-178.6	-58.2	0	0	0	0	114.5	I128 E129	S105-I128 WeakPolarHBondContact O-CA 3.48Å; S105-E129 PolarHBondContact O-N 2.87Å
106	S	91.9	Very high	91.3	Very high	23 Å²	23	31.1 Å²	31.1	16%	0.161	18%	0.181	C	C	.	.			trans	-144.3	146.5	174.9	-175.2	0	0	0	0	111	S108 D109	S106-S108 PolarHBondContact O-N 3.48Å; S106-S108 PolarHBondContact OG-N 3.06Å; S106-S108 VanDerWaalsContact OG-N 3.15Å; S106-D109 WeakPolarHBondContact CB-OD2 3.05Å; S106-D109 WeakPolarHBondContact O-CB 3.27Å; S106-D109 PolarHBondContact O-N 3.03Å
107	I	90.2	Very high	91.1	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61	-26.4	168.2	-157.8	82.3	0	0	0	111.5	D109 I110 L123 I128 L131 P132 C135 L136	I107-D109 PolarHBondContact O-N 2.93Å; I107-I110 HydrophobicContact CD1-CD1 3.8Å; I107-I110 HydrophobicContact CG1-CD1 4.47Å; I107-I110 WeakPolarHBondContact O-CB 3.34Å; I107-I110 PolarHBondContact O-N 3.45Å; I107-L123 HydrophobicContact CD1-CD1 3.56Å; I107-I128 HydrophobicContact CD1-CD1 4.38Å; I107-L131 HydrophobicContact CB-CD2 4.27Å; I107-L131 HydrophobicContact CD1-CD2 4.47Å; I107-L131 HydrophobicContact CG2-CD2 4.38Å; I107-P132 HydrophobicContact CG2-CG 3.95Å; I107-C135 HydrophobicContact CB-CB 4.4Å; I107-C135 HydrophobicContact CG1-CB 4.16Å; I107-C135 HydrophobicContact CG2-CB 3.4Å; I107-L136 HydrophobicContact CD1-CD2 4.02Å; I107-L136 HydrophobicContact CG1-CD2 3.95Å; I107-L136 HydrophobicContact CG1-CG 4.43Å
108	S	85.5	Confident	91.1	Very high	64 Å²	64	34.2 Å²	34.2	45%	0.448	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-71.2	-5.6	173.1	-58.9	0	0	0	0	113.8	K83 S106 I110 H111	K83-S108 PolarHBondContact NZ-O 3.37Å; S106-S108 PolarHBondContact O-N 3.48Å; S106-S108 PolarHBondContact OG-N 3.06Å; S106-S108 VanDerWaalsContact OG-N 3.15Å; S108-I110 VanDerWaalsContact C-N 3.33Å; S108-H111 PolarHBondContact O-CE1 2.94Å
109	D	82.1	Confident	91	Very high	39 Å²	39	33.9 Å²	33.9	21%	0.209	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-86.3	-3.7	167.1	-68.9	-53.7	0	0	0	113.4	K83 I84 S106 I107	K83-D109 HydrophobicContact CB-CB 4.15Å; K83-D109 HydrophobicContact CD-CB 4.49Å; K83-D109 VanDerWaalsContact CD-OD1 3.27Å; K83-D109 WeakPolarHBondContact CD-OD1 3.3Å; K83-D109 WeakPolarHBondContact CE-OD1 3.32Å; K83-D109 HydrophobicContact CG-CB 3.86Å; K83-D109 WeakPolarHBondContact CG-O 3.4Å; K83-D109 IonicContact NZ-OD1 3.88Å; K83-D109 PolarHBondContact NZ-OD1 3.28Å; I84-D109 PolarHBondContact N-O 2.9Å; S106-D109 WeakPolarHBondContact CB-OD2 3.05Å; S106-D109 WeakPolarHBondContact O-CB 3.27Å; S106-D109 PolarHBondContact O-N 3.03Å; I107-D109 PolarHBondContact O-N 2.93Å
110	I	85.6	Confident	91	Very high	17 Å²	17	33.9 Å²	33.9	9%	0.087	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-110.1	74.9	-174.9	-37.8	-178.9	0	0	0	110.2	I84 L99 L104 I107 S108 L112 L123	I84-I110 HydrophobicContact CD1-CG2 3.86Å; I84-I110 HydrophobicContact CG1-CG2 4.38Å; L99-I110 HydrophobicContact CD1-CG2 4.14Å; L104-I110 HydrophobicContact CD1-CD1 3.83Å; L104-I110 HydrophobicContact CD1-CG1 4.18Å; L104-I110 HydrophobicContact CD2-CG1 4.43Å; I107-I110 HydrophobicContact CD1-CD1 3.8Å; I107-I110 HydrophobicContact CG1-CD1 4.47Å; I107-I110 WeakPolarHBondContact O-CB 3.34Å; I107-I110 PolarHBondContact O-N 3.45Å; S108-I110 VanDerWaalsContact C-N 3.33Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 HydrophobicContact CG2-CD1 4.43Å; I110-L112 HydrophobicContact CG2-CD2 3.77Å; I110-L112 HydrophobicContact CG2-CG 3.8Å; I110-L112 PolarHBondContact O-N 2.93Å; I110-L123 HydrophobicContact CD1-CD1 3.83Å; I110-L123 HydrophobicContact CD1-CD2 3.47Å; I110-L123 VanDerWaalsContact CD1-CD2 3.47Å; I110-L123 HydrophobicContact CD1-CG 4.33Å
111	H	84.4	Confident	91	Very high	87 Å²	87	33.6 Å²	33.6	40%	0.403	19%	0.192	S	C	.	.			trans	-75.6	84.6	174.2	-54.6	-44.9	0	0	0	109.9	K83 I84 P87 S108	K83-H111 PolarHBondContact NZ-NE2 3.21Å; I84-H111 WeakPolarHBondContact O-CB 3.08Å; I84-H111 PolarHBondContact O-CD2 2.83Å; I84-H111 VanDerWaalsContact O-CD2 3.24Å; I84-H111 PolarHBondContact O-N 2.75Å; P87-H111 WeakPolarHBondContact CA-O 3.36Å; S108-H111 PolarHBondContact O-CE1 2.94Å
112	L	85.1	Confident	91	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.052	18%	0.184	C	C	.	.			trans	-75.9	-44	175.1	-65.4	-175	0	0	0	112.3	I84 L88 I97 I110 L115 L118 L121 L139	I84-L112 HydrophobicContact CD1-CD2 4.38Å; L88-L112 HydrophobicContact CD1-CD2 4.21Å; L88-L112 PolarHBondContact N-O 3.13Å; I97-L112 HydrophobicContact CD1-CD1 4.44Å; I97-L112 HydrophobicContact CD1-CD2 3.97Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 HydrophobicContact CG2-CD1 4.43Å; I110-L112 HydrophobicContact CG2-CD2 3.77Å; I110-L112 HydrophobicContact CG2-CG 3.8Å; I110-L112 PolarHBondContact O-N 2.93Å; L112-L115 HydrophobicContact CB-CD1 3.82Å; L112-L115 HydrophobicContact CB-CG 4.3Å; L112-L115 HydrophobicContact CD1-CD1 4.31Å; L112-L115 HydrophobicContact CD2-CD1 4.39Å; L112-L115 HydrophobicContact CG-CD1 4.39Å; L112-L118 HydrophobicContact CD1-CD2 4.26Å; L112-L121 HydrophobicContact CD1-CD1 4.21Å; L112-L121 HydrophobicContact CD1-CD2 4.03Å; L112-L139 HydrophobicContact CD1-CD1 4.18Å; L112-L139 HydrophobicContact CD1-CD2 4.33Å
113	G	84.1	Confident	91	Very high	22 Å²	22	31.6 Å²	31.6	23%	0.227	18%	0.182	C	C	.	.			trans	87.2	-162.4	-170.9	0	0	0	0	0	112.8	D89 L115	D89-G113 VanDerWaalsContact OD1-CA 3.27Å; D89-G113 WeakPolarHBondContact OD1-CA 3.09Å; G113-L115 PolarHBondContact O-N 2.73Å
114	N	87.1	Confident	91.1	Very high	102 Å²	102	30.9 Å²	30.9	55%	0.545	18%	0.178	S	C	.	.			trans	-84.6	76.2	-174.2	-175.6	-6.5	0	0	0	111.7	D89 S116	D89-N114 PolarHBondContact OD1-N 3.46Å; N114-S116 VanDerWaalsContact C-N 3.31Å; N114-S116 PolarHBondContact O-N 2.04Å; N114-S116 VanDerWaalsContact O-N 3.11Å
115	L	91.3	Very high	91.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	20%	0.199	C	C	.	.			trans	-87	68.8	179.2	-55.4	-173.9	0	0	0	111.3	L88 I94 I97 L112 G113 Q117 L118 L139	L88-L115 HydrophobicContact CB-CD1 4.41Å; L88-L115 HydrophobicContact CB-CD2 4.13Å; L88-L115 WeakPolarHBondContact O-CD2 3.43Å; I94-L115 HydrophobicContact CG2-CB 4.15Å; I94-L115 HydrophobicContact CG2-CD1 3.9Å; I94-L115 HydrophobicContact CG2-CD2 3.96Å; I94-L115 HydrophobicContact CG2-CG 4.23Å; I97-L115 HydrophobicContact CD1-CD1 3.47Å; I97-L115 VanDerWaalsContact CD1-CD1 3.47Å; L112-L115 HydrophobicContact CB-CD1 3.82Å; L112-L115 HydrophobicContact CB-CG 4.3Å; L112-L115 HydrophobicContact CD1-CD1 4.31Å; L112-L115 HydrophobicContact CD2-CD1 4.39Å; L112-L115 HydrophobicContact CG-CD1 4.39Å; G113-L115 PolarHBondContact O-N 2.73Å; L115-Q117 PolarHBondContact O-N 3.3Å; L115-L118 HydrophobicContact CB-CB 3.96Å; L115-L118 HydrophobicContact CD1-CD2 4.37Å; L115-L118 WeakPolarHBondContact O-CB 3.2Å; L115-L118 PolarHBondContact O-N 3.07Å; L115-L139 HydrophobicContact CB-CD2 4.07Å
116	S	87.1	Confident	91.4	Very high	46 Å²	46	32.8 Å²	32.8	32%	0.322	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.4	-172.9	72.6	0	0	0	0	116.5	N114 N141	N114-S116 VanDerWaalsContact C-N 3.31Å; N114-S116 PolarHBondContact O-N 2.04Å; N114-S116 VanDerWaalsContact O-N 3.11Å; S116-N141 PolarHBondContact O-ND2 2.71Å
117	Q	91.8	Very high	91.6	Very high	100 Å²	100	37.7 Å²	37.7	47%	0.467	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-4.2	175.6	-60.5	-55.8	-71.6	0	0	113.6	A92 I94 L115 A119	A92-Q117 WeakPolarHBondContact O-CG 3.29Å; I94-Q117 CarbonylContact O-C 3.46Å; L115-Q117 PolarHBondContact O-N 3.3Å; Q117-A119 PolarHBondContact O-N 3.12Å
118	L	95.2	Very high	91.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.			trans	-67.5	120.9	-175.3	-168	73.1	0	0	0	110.2	I94 I97 L112 L115 S120 L121 L139 N141 L142	I94-L118 HydrophobicContact CG2-CD1 4.39Å; I94-L118 WeakPolarHBondContact O-CA 3.32Å; I94-L118 PolarHBondContact O-N 2.88Å; I94-L118 VanDerWaalsContact O-N 3.1Å; I97-L118 HydrophobicContact CB-CD1 4.15Å; I97-L118 HydrophobicContact CD1-CD1 3.91Å; I97-L118 HydrophobicContact CD1-CD2 4.35Å; I97-L118 HydrophobicContact CG1-CD1 3.73Å; L112-L118 HydrophobicContact CD1-CD2 4.26Å; L115-L118 HydrophobicContact CB-CB 3.96Å; L115-L118 HydrophobicContact CD1-CD2 4.37Å; L115-L118 WeakPolarHBondContact O-CB 3.2Å; L115-L118 PolarHBondContact O-N 3.07Å; L118-S120 WeakPolarHBondContact CD1-O 3.27Å; L118-L121 HydrophobicContact CD2-CB 4.26Å; L118-L139 HydrophobicContact CD2-CD1 4.14Å; L118-L139 HydrophobicContact CD2-CD2 3.95Å; L118-N141 CarbonylContact O-C 3.1Å; L118-N141 VanDerWaalsContact O-C 3.29Å; L118-L142 HydrophobicContact CD2-CD1 4.14Å; L118-L142 HydrophobicContact CG-CD1 4.1Å; L118-L142 VanDerWaalsContact O-CA 3.3Å; L118-L142 WeakPolarHBondContact O-CA 3.17Å; L118-L142 PolarHBondContact O-N 3.35Å
119	A	95.8	Very high	92.5	Very high	7 Å²	7	39.9 Å²	39.9	6%	0.058	20%	0.199	C	C	.	.			trans	-107.9	-35.4	-176.9	0	0	0	0	0	112.5	P43 T95 Q117 Q143 E144	P43-A119 HydrophobicContact CG-CB 4.41Å; T95-A119 PolarHBondContact O-N 3.31Å; Q117-A119 PolarHBondContact O-N 3.12Å; A119-Q143 WeakPolarHBondContact O-CA 3.37Å; A119-Q143 PolarHBondContact O-N 2.88Å; A119-E144 PolarHBondContact O-N 2.89Å
120	S	97	Very high	93.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144	171.2	-174.9	0	0	0	0	112.2	T95 I97 L118 H122	T95-S120 PolarHBondContact O-N 2.84Å; T95-S120 VanDerWaalsContact O-N 3.16Å; I97-S120 PolarHBondContact N-O 2.78Å; L118-S120 WeakPolarHBondContact CD1-O 3.27Å; S120-H122 PolarHBondContact OG-CD2 2.97Å; S120-H122 PolarHBondContact OG-NE2 3.39Å
121	L	96.8	Very high	93.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	114.9	174.1	177.4	58.6	0	0	0	110.1	I97 L112 L118 L123 L136 L139 L142 E144 L145 Y146	I97-L121 HydrophobicContact CB-CD1 4.05Å; I97-L121 HydrophobicContact CG2-CD1 4.01Å; I97-L121 WeakPolarHBondContact O-CA 3.14Å; L112-L121 HydrophobicContact CD1-CD1 4.21Å; L112-L121 HydrophobicContact CD1-CD2 4.03Å; L118-L121 HydrophobicContact CD2-CB 4.26Å; L121-L123 HydrophobicContact CD1-CD1 4.47Å; L121-L123 HydrophobicContact CD1-CD2 4.49Å; L121-L123 HydrophobicContact CD1-CG 4.23Å; L121-L123 HydrophobicContact CD2-CD1 3.99Å; L121-L123 HydrophobicContact CG-CD1 4.03Å; L121-L123 HydrophobicContact CG-CG 4.1Å; L121-L136 HydrophobicContact CD2-CD2 4.33Å; L121-L139 HydrophobicContact CD2-CD1 3.79Å; L121-L142 HydrophobicContact CB-CD1 3.82Å; L121-L142 HydrophobicContact CB-CD2 4.46Å; L121-E144 PolarHBondContact N-O 2.94Å; L121-E144 VanDerWaalsContact N-O 3.16Å; L121-L145 HydrophobicContact CB-CD1 4.34Å; L121-L145 HydrophobicContact CD2-CD1 4.21Å; L121-L145 HydrophobicContact CG-CD1 4.32Å; L121-Y146 PolarHBondContact O-N 2.79Å; L121-Y146 VanDerWaalsContact O-N 3.08Å
122	H	97.9	Very high	94.1	Very high	35 Å²	35	39.3 Å²	39.3	16%	0.162	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.2	177.4	-62.1	-102.2	0	0	0	111.2	I97 D98 L99 S120 E124 Y146	I97-H122 PolarHBondContact O-N 2.81Å; D98-H122 HydrophobicContact CB-CB 4.26Å; L99-H122 CarbonylContact C-O 3.37Å; L99-H122 WeakPolarHBondContact CA-O 3.41Å; L99-H122 WeakPolarHBondContact CB-O 3.46Å; L99-H122 PolarHBondContact N-O 2.9Å; S120-H122 PolarHBondContact OG-CD2 2.97Å; S120-H122 PolarHBondContact OG-NE2 3.39Å; H122-E124 VanDerWaalsContact CA-OE2 3.22Å; H122-E124 WeakPolarHBondContact CA-OE2 3.47Å; H122-E124 WeakPolarHBondContact CB-OE2 3.47Å; H122-E124 IonicContact CE1-OE1 2.86Å; H122-E124 IonicContact CG-OE1 2.43Å; H122-E124 IonicContact CG-OE2 2.68Å; H122-E124 IonicContact ND1-OE1 2.67Å; H122-E124 PolarHBondContact ND1-OE1 2.81Å; H122-E124 IonicContact ND1-OE2 3.85Å; H122-Y146 AromaticContact CE1-CD2 3.29Å; H122-Y146 WeakPolarHBondContact CE1-CD2 3.29Å; H122-Y146 AromaticContact CE1-CE2 3.32Å; H122-Y146 WeakPolarHBondContact CE1-CE2 3.35Å; H122-Y146 AromaticContact CG-CD2 3.91Å; H122-Y146 AromaticContact ND1-CD2 3.36Å; H122-Y146 WeakPolarHBondContact ND1-CD2 3.5Å; H122-Y146 AromaticContact ND1-CE2 3.9Å; H122-Y146 AromaticContact ND1-CG 3.74Å; H122-Y146 AromaticContact NE2-CD2 3.8Å; H122-Y146 AromaticContact NE2-CE2 3.75Å
123	L	97.4	Very high	94.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.			trans	-140.8	14.2	-177.2	-67.5	173.3	0	0	0	112.1	L99 L104 I107 I110 L121 N126 I128 Y146 L147 N150	L99-L123 HydrophobicContact CB-CD2 3.77Å; L99-L123 HydrophobicContact CD1-CD2 4.14Å; L104-L123 HydrophobicContact CD1-CD2 3.89Å; I107-L123 HydrophobicContact CD1-CD1 3.56Å; I110-L123 HydrophobicContact CD1-CD1 3.83Å; I110-L123 HydrophobicContact CD1-CD2 3.47Å; I110-L123 VanDerWaalsContact CD1-CD2 3.47Å; I110-L123 HydrophobicContact CD1-CG 4.33Å; L121-L123 HydrophobicContact CD1-CD1 4.47Å; L121-L123 HydrophobicContact CD1-CD2 4.49Å; L121-L123 HydrophobicContact CD1-CG 4.23Å; L121-L123 HydrophobicContact CD2-CD1 3.99Å; L121-L123 HydrophobicContact CG-CD1 4.03Å; L121-L123 HydrophobicContact CG-CG 4.1Å; L123-N126 PolarHBondContact O-ND2 2.77Å; L123-I128 HydrophobicContact CB-CD1 4.29Å; L123-I128 HydrophobicContact CD1-CD1 4.46Å; L123-Y146 CarbonylContact C-O 3.59Å; L123-Y146 WeakPolarHBondContact CA-O 3.39Å; L123-Y146 WeakPolarHBondContact CB-O 3.23Å; L123-Y146 PolarHBondContact N-O 2.87Å; L123-L147 HydrophobicContact CB-CD2 3.83Å; L123-L147 HydrophobicContact CD1-CD2 3.92Å; L123-N150 PolarHBondContact O-ND2 2.86Å
124	E	97.6	Very high	94.8	Very high	29 Å²	29	50 Å²	50	14%	0.136	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	157.3	177.5	56.2	-89.5	-134.8	0	0	113.1	S100 Q101 H122 N126 Y146 N148	S100-E124 CarbonylContact C-O 3.12Å; S100-E124 VanDerWaalsContact CA-O 3.26Å; S100-E124 WeakPolarHBondContact CA-O 3.33Å; Q101-E124 PolarHBondContact N-O 3.46Å; H122-E124 VanDerWaalsContact CA-OE2 3.22Å; H122-E124 WeakPolarHBondContact CA-OE2 3.47Å; H122-E124 WeakPolarHBondContact CB-OE2 3.47Å; H122-E124 IonicContact CE1-OE1 2.86Å; H122-E124 IonicContact CG-OE1 2.43Å; H122-E124 IonicContact CG-OE2 2.68Å; H122-E124 IonicContact ND1-OE1 2.67Å; H122-E124 PolarHBondContact ND1-OE1 2.81Å; H122-E124 IonicContact ND1-OE2 3.85Å; E124-N126 PolarHBondContact O-N 3.36Å; E124-N126 VanDerWaalsContact O-N 3.14Å; E124-N126 PolarHBondContact O-ND2 2.03Å; E124-Y146 PolarHBondContact N-O 3.31Å; E124-Y146 WeakPolarHBondContact OE2-CB 3.15Å; E124-N148 WeakPolarHBondContact CA-O 3.34Å; E124-N148 WeakPolarHBondContact CB-ND2 3.08Å; E124-N148 WeakPolarHBondContact CB-O 3.43Å
125	E	97.4	Very high	95	Very high	96 Å²	96	47 Å²	47	45%	0.449	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	32.5	-179.5	-61.7	-172.6	-111.8	0	0	114	Q101 N148 H149	Q101-E125 HydrophobicContact CB-CB 4.4Å; Q101-E125 HydrophobicContact CG-CB 3.65Å; Q101-E125 HydrophobicContact CG-CG 4.2Å; Q101-E125 PolarHBondContact NE2-OE1 3.21Å; E125-N148 PolarHBondContact N-O 2.95Å; E125-H149 WeakPolarHBondContact CA-O 3.39Å; E125-H149 HydrophobicContact CG-CB 3.86Å
126	N	97.4	Very high	95	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.011	22%	0.224	C	C	.	.	S	Bend	trans	-105.2	-172.4	169	-80.8	-97.7	0	0	0	110.1	L99 N102 N103 L104 L123 E124 I128 N150	L99-N126 PolarHBondContact O-ND2 3.2Å; N102-N126 WeakPolarHBondContact CA-OD1 3.1Å; N102-N126 WeakPolarHBondContact CB-OD1 3.37Å; N102-N126 PolarHBondContact N-ND2 3.36Å; N102-N126 PolarHBondContact O-OD1 2.93Å; N103-N126 PolarHBondContact N-OD1 2.75Å; L104-N126 HydrophobicContact CB-CB 4.29Å; L104-N126 VanDerWaalsContact CB-OD1 3.23Å; L104-N126 WeakPolarHBondContact CB-OD1 3.5Å; L104-N126 WeakPolarHBondContact CD1-OD1 3.17Å; L104-N126 VanDerWaalsContact CG-OD1 3.26Å; L104-N126 WeakPolarHBondContact CG-OD1 3.26Å; L104-N126 PolarHBondContact N-OD1 3.41Å; L104-N126 VanDerWaalsContact N-OD1 3.16Å; L123-N126 PolarHBondContact O-ND2 2.77Å; E124-N126 PolarHBondContact O-N 3.36Å; E124-N126 VanDerWaalsContact O-N 3.14Å; E124-N126 PolarHBondContact O-ND2 2.03Å; N126-I128 HydrophobicContact CB-CG1 4.38Å; N126-N150 WeakPolarHBondContact CA-OD1 3.23Å; N126-N150 VanDerWaalsContact CB-OD1 3.29Å; N126-N150 WeakPolarHBondContact CB-OD1 3.35Å; N126-N150 WeakPolarHBondContact O-CA 3.03Å; N126-N150 PolarHBondContact O-OD1 3.4Å
127	W	96.9	Very high	95.2	Very high	126 Å²	126	46.9 Å²	46.9	48%	0.477	22%	0.22	S	C	.	.			trans	-115.1	30	-175.1	-50.8	-25.7	0	0	0	112.8	N103 L104 E129 N150 L151	N103-W127 WeakPolarHBondContact ND2-CH2 3.42Å; N103-W127 WeakPolarHBondContact ND2-CZ3 3.23Å; N103-W127 WeakPolarHBondContact OD1-CH2 3.5Å; L104-W127 CarbonylContact O-C 3.54Å; L104-W127 VanDerWaalsContact O-C 3.28Å; L104-W127 WeakPolarHBondContact O-CA 3.38Å; L104-W127 PolarHBondContact O-N 2.84Å; W127-E129 PolarHBondContact O-N 3.45Å; W127-N150 PolarHBondContact N-OD1 3.33Å; W127-L151 HydrophobicContact CB-CD1 4.12Å
128	I	97.3	Very high	95	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.22	C	C	.	.			trans	-65.9	120	-176.3	-58.1	171.4	0	0	0	109.8	L104 S105 I107 L123 N126 L131 L147 N150 L151 I152	L104-I128 PolarHBondContact O-N 3.17Å; S105-I128 WeakPolarHBondContact O-CA 3.48Å; I107-I128 HydrophobicContact CD1-CD1 4.38Å; L123-I128 HydrophobicContact CB-CD1 4.29Å; L123-I128 HydrophobicContact CD1-CD1 4.46Å; N126-I128 HydrophobicContact CB-CG1 4.38Å; I128-L131 HydrophobicContact CG2-CD2 4.32Å; I128-L147 HydrophobicContact CD1-CD2 4Å; I128-N150 HydrophobicContact CB-CB 4.48Å; I128-N150 VanDerWaalsContact CB-OD1 3.31Å; I128-N150 WeakPolarHBondContact CB-OD1 3.29Å; I128-N150 WeakPolarHBondContact CG1-OD1 3.4Å; I128-N150 PolarHBondContact N-OD1 2.76Å; I128-L151 CarbonylContact O-C 3.6Å; I128-L151 WeakPolarHBondContact O-CA 3.38Å; I128-L151 PolarHBondContact O-N 2.72Å; I128-L151 VanDerWaalsContact O-N 3.08Å; I128-I152 HydrophobicContact CB-CG1 4.3Å; I128-I152 HydrophobicContact CG2-CD1 4.49Å; I128-I152 HydrophobicContact CG2-CG1 4.14Å; I128-I152 WeakPolarHBondContact O-CA 3.35Å; I128-I152 VanDerWaalsContact O-CG1 3.24Å; I128-I152 WeakPolarHBondContact O-CG1 3.37Å; I128-I152 PolarHBondContact O-N 2.93Å
129	E	96.1	Very high	94.8	Very high	116 Å²	116	46.4 Å²	46.4	54%	0.542	22%	0.221	S	C	.	.			trans	-91.4	-24.6	-176.3	-64.7	-170.3	-172.8	0	0	114.6	S105 W127 L151 I152 S153	S105-E129 PolarHBondContact O-N 2.87Å; W127-E129 PolarHBondContact O-N 3.45Å; E129-L151 HydrophobicContact CG-CB 4.2Å; E129-I152 WeakPolarHBondContact O-CA 3.2Å; E129-S153 PolarHBondContact O-N 2.88Å; E129-S153 PolarHBondContact O-OG 3.09Å
130	E	95.7	Very high	94.6	Very high	94 Å²	94	49 Å²	49	44%	0.439	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	157.3	-178.3	59.6	168.5	-150.5	0	0	114.1	P132 S154	E130-P132 WeakPolarHBondContact O-CD 3.47Å; E130-S154 VanDerWaalsContact CA-O 3.32Å; E130-S154 WeakPolarHBondContact CA-O 3.42Å
131	L	96.1	Very high	94.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	96.5	169.3	-59.6	-178.5	0	0	0	110.8	I107 I128 L147 I152 S154 I155 S156 A159 F160	I107-L131 HydrophobicContact CB-CD2 4.27Å; I107-L131 HydrophobicContact CD1-CD2 4.47Å; I107-L131 HydrophobicContact CG2-CD2 4.38Å; I128-L131 HydrophobicContact CG2-CD2 4.32Å; L131-L147 HydrophobicContact CD1-CD1 3.91Å; L131-L147 HydrophobicContact CD2-CD1 4.33Å; L131-I152 HydrophobicContact CD1-CD1 4.46Å; L131-I152 HydrophobicContact CD2-CD1 4.38Å; L131-I152 HydrophobicContact CG-CD1 4.32Å; L131-I152 HydrophobicContact CG-CG2 4.31Å; L131-S154 PolarHBondContact N-O 2.8Å; L131-I155 HydrophobicContact CB-CB 4.36Å; L131-I155 HydrophobicContact CB-CG1 4.17Å; L131-I155 HydrophobicContact CB-CG2 4.12Å; L131-I155 HydrophobicContact CD1-CD1 4.01Å; L131-I155 HydrophobicContact CD1-CG1 3.91Å; L131-I155 HydrophobicContact CD1-CG2 4.18Å; L131-I155 HydrophobicContact CG-CG1 4.15Å; L131-S156 PolarHBondContact O-N 2.86Å; L131-A159 HydrophobicContact CB-CB 3.98Å; L131-F160 HydrophobicContact CD1-CE1 3.77Å; L131-F160 HydrophobicContact CD1-CZ 3.7Å
132	P	94.9	Very high	94.4	Very high	35 Å²	35	52 Å²	52	23%	0.227	25%	0.252	C	S	.	.			trans	-67.9	172.5	175.2	26.4	-34.9	0	0	0	113.4	I107 E130 R134 C135 A159	I107-P132 HydrophobicContact CG2-CG 3.95Å; E130-P132 WeakPolarHBondContact O-CD 3.47Å; P132-R134 PolarHBondContact O-N 3.01Å; P132-C135 HydrophobicContact CG-CB 4.3Å; P132-C135 PolarHBondContact O-SG 2.93Å; P132-A159 WeakPolarHBondContact O-CA 3.34Å
133	E	93.6	Very high	94.3	Very high	119 Å²	119	52.8 Å²	52.8	56%	0.556	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	133	-178.8	-67.8	-178.8	-161.8	0	0	112.8	C135 S156 M158	E133-C135 PolarHBondContact O-N 3Å; E133-S156 WeakPolarHBondContact CG-OG 3.47Å; E133-M158 HydrophobicContact CB-CB 4.35Å; E133-M158 HydrophobicContact CG-CB 4.19Å
134	R	90.8	Very high	94.4	Very high	139 Å²	139	53.8 Å²	53.8	53%	0.525	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	22.1	171.3	-52.9	-179.4	-169.8	179.4	3.6	114.9	P132 L136 S137 M158 Q161	P132-R134 PolarHBondContact O-N 3.01Å; R134-L136 PolarHBondContact O-N 2.93Å; R134-S137 PolarHBondContact O-N 2.85Å; R134-S137 VanDerWaalsContact O-N 3.16Å; R134-S137 PolarHBondContact O-OG 2.78Å; R134-M158 HydrophobicContact CG-CB 4.44Å; R134-M158 PolarHBondContact N-O 3.33Å; R134-Q161 HydrophobicContact CG-CB 4.24Å; R134-Q161 HydrophobicContact CG-CG 4.48Å
135	C	91.3	Very high	94.4	Very high	38 Å²	38	52.4 Å²	52.4	26%	0.257	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.2	-177.1	49.3	0	0	0	0	114.8	I107 P132 E133	I107-C135 HydrophobicContact CB-CB 4.4Å; I107-C135 HydrophobicContact CG1-CB 4.16Å; I107-C135 HydrophobicContact CG2-CB 3.4Å; P132-C135 HydrophobicContact CG-CB 4.3Å; P132-C135 PolarHBondContact O-SG 2.93Å; E133-C135 PolarHBondContact O-N 3Å
136	L	91.3	Very high	94.4	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.052	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	17.5	-179.9	-58.6	176.4	0	0	0	113	I107 L121 R134 D138 L139 L145 L163	I107-L136 HydrophobicContact CD1-CD2 4.02Å; I107-L136 HydrophobicContact CG1-CD2 3.95Å; I107-L136 HydrophobicContact CG1-CG 4.43Å; L121-L136 HydrophobicContact CD2-CD2 4.33Å; R134-L136 PolarHBondContact O-N 2.93Å; L136-D138 PolarHBondContact O-N 3.08Å; L136-L139 HydrophobicContact CB-CD1 4.26Å; L136-L139 HydrophobicContact CD2-CD1 3.84Å; L136-L139 PolarHBondContact O-N 2.8Å; L136-L139 VanDerWaalsContact O-N 3.13Å; L136-L145 HydrophobicContact CD1-CD1 4.14Å; L136-L145 HydrophobicContact CD1-CD2 3.59Å; L136-L163 HydrophobicContact CB-CD1 4.23Å; L136-L163 HydrophobicContact CB-CD2 4.13Å; L136-L163 HydrophobicContact CD1-CD1 4.21Å; L136-L163 WeakPolarHBondContact O-CD2 3.37Å
137	S	89.9	Confident	94.4	Very high	36 Å²	36	49.5 Å²	49.5	25%	0.252	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.6	-168	60.8	0	0	0	0	115.7	R134 Q161	R134-S137 PolarHBondContact O-N 2.85Å; R134-S137 VanDerWaalsContact O-N 3.16Å; R134-S137 PolarHBondContact O-OG 2.78Å; S137-Q161 VanDerWaalsContact CA-O 3.27Å; S137-Q161 WeakPolarHBondContact CA-O 3.29Å; S137-Q161 WeakPolarHBondContact CB-O 3.35Å
138	D	87.8	Confident	94.5	Very high	85 Å²	85	44.3 Å²	44.3	46%	0.455	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-11.4	-175.1	-55.7	-12.9	0	0	0	111.8	L136 V140	L136-D138 PolarHBondContact O-N 3.08Å; D138-V140 PolarHBondContact O-N 2.85Å
139	L	92.1	Very high	94.5	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	24%	0.242	C	C	.	.			trans	-85.7	52.4	-179.7	-52.5	-177.5	0	0	0	111.7	L112 L115 L118 L121 L136 N141 L142 L163	L112-L139 HydrophobicContact CD1-CD1 4.18Å; L112-L139 HydrophobicContact CD1-CD2 4.33Å; L115-L139 HydrophobicContact CB-CD2 4.07Å; L118-L139 HydrophobicContact CD2-CD1 4.14Å; L118-L139 HydrophobicContact CD2-CD2 3.95Å; L121-L139 HydrophobicContact CD2-CD1 3.79Å; L136-L139 HydrophobicContact CB-CD1 4.26Å; L136-L139 HydrophobicContact CD2-CD1 3.84Å; L136-L139 PolarHBondContact O-N 2.8Å; L136-L139 VanDerWaalsContact O-N 3.13Å; L139-N141 PolarHBondContact O-N 2.9Å; L139-L142 HydrophobicContact CB-CB 4.15Å; L139-L142 HydrophobicContact CB-CD2 4.48Å; L139-L142 HydrophobicContact CD1-CD2 4.28Å; L139-L142 VanDerWaalsContact O-CB 3.26Å; L139-L142 WeakPolarHBondContact O-CB 3.46Å; L139-L142 PolarHBondContact O-N 3.24Å; L139-L163 HydrophobicContact CB-CD2 4.13Å
140	V	91.3	Very high	94.6	Very high	63 Å²	63	43.5 Å²	43.5	38%	0.382	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.2	-166.2	-62.7	0	0	0	0	115.7	D138 N165	D138-V140 PolarHBondContact O-N 2.85Å; V140-N165 PolarHBondContact O-ND2 3.15Å
141	N	93.6	Very high	94.7	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	9.1	-179.6	-72.6	-32.2	0	0	0	113.9	S116 L118 L139 Q143 N165	S116-N141 PolarHBondContact O-ND2 2.71Å; L118-N141 CarbonylContact O-C 3.1Å; L118-N141 VanDerWaalsContact O-C 3.29Å; L139-N141 PolarHBondContact O-N 2.9Å; N141-Q143 PolarHBondContact O-N 3.48Å; N141-Q143 PolarHBondContact O-NE2 3.46Å; N141-N165 PolarHBondContact OD1-ND2 2.98Å
142	L	95.8	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.			trans	-61.7	128	177.2	-164.7	72.4	0	0	0	110.3	L118 L121 L139 E144 L145 L163 N165 L166	L118-L142 HydrophobicContact CD2-CD1 4.14Å; L118-L142 HydrophobicContact CG-CD1 4.1Å; L118-L142 VanDerWaalsContact O-CA 3.3Å; L118-L142 WeakPolarHBondContact O-CA 3.17Å; L118-L142 PolarHBondContact O-N 3.35Å; L121-L142 HydrophobicContact CB-CD1 3.82Å; L121-L142 HydrophobicContact CB-CD2 4.46Å; L139-L142 HydrophobicContact CB-CB 4.15Å; L139-L142 HydrophobicContact CB-CD2 4.48Å; L139-L142 HydrophobicContact CD1-CD2 4.28Å; L139-L142 VanDerWaalsContact O-CB 3.26Å; L139-L142 WeakPolarHBondContact O-CB 3.46Å; L139-L142 PolarHBondContact O-N 3.24Å; L142-E144 WeakPolarHBondContact CD1-O 3.49Å; L142-L145 HydrophobicContact CD2-CB 4.07Å; L142-L145 HydrophobicContact CD2-CD1 4.31Å; L142-L145 HydrophobicContact CD2-CD2 4.48Å; L142-L163 HydrophobicContact CB-CD2 4.25Å; L142-L163 HydrophobicContact CD2-CD2 4.16Å; L142-N165 CarbonylContact O-C 3.1Å; L142-L166 HydrophobicContact CB-CD1 4.33Å; L142-L166 HydrophobicContact CD2-CD1 4.02Å; L142-L166 HydrophobicContact CG-CD1 3.93Å; L142-L166 WeakPolarHBondContact O-CA 3.5Å; L142-L166 PolarHBondContact O-N 2.86Å
143	Q	96.8	Very high	94.8	Very high	52 Å²	52	43.9 Å²	43.9	24%	0.243	22%	0.224	C	C	.	.			trans	-109.7	-30	-179.6	-76.9	157	70.9	0	0	111.6	P43 A119 N141 V167 R168	P43-Q143 HydrophobicContact CB-CB 4.17Å; P43-Q143 HydrophobicContact CG-CB 4.04Å; A119-Q143 WeakPolarHBondContact O-CA 3.37Å; A119-Q143 PolarHBondContact O-N 2.88Å; N141-Q143 PolarHBondContact O-N 3.48Å; N141-Q143 PolarHBondContact O-NE2 3.46Å; Q143-V167 HydrophobicContact CB-CG2 4.32Å; Q143-V167 HydrophobicContact CG-CG2 4.28Å; Q143-V167 WeakPolarHBondContact O-CA 3.42Å; Q143-V167 PolarHBondContact O-N 2.85Å; Q143-R168 PolarHBondContact O-N 3.18Å
144	E	97.9	Very high	94.9	Very high	22 Å²	22	40.8 Å²	40.8	10%	0.103	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.2	-179.4	-53.1	-173.6	148.6	0	0	110.8	P43 A119 L121 L142 Y146 R168	P43-E144 HydrophobicContact CB-CG 3.93Å; P43-E144 WeakPolarHBondContact CB-OE1 3Å; P43-E144 HydrophobicContact CG-CG 3.87Å; A119-E144 PolarHBondContact O-N 2.89Å; L121-E144 PolarHBondContact N-O 2.94Å; L121-E144 VanDerWaalsContact N-O 3.16Å; L142-E144 WeakPolarHBondContact CD1-O 3.49Å; E144-Y146 HydrophobicContact CB-CD2 4.43Å; E144-Y146 HydrophobicContact CB-CE2 3.67Å; E144-R168 HydrophobicContact CB-CB 4.45Å; E144-R168 HydrophobicContact CG-CB 4.18Å; E144-R168 HydrophobicContact CG-CG 4.3Å; E144-R168 WeakPolarHBondContact OE1-CD 3.41Å; E144-R168 IonicContact OE1-CZ 3.83Å; E144-R168 IonicContact OE1-NE 2.93Å; E144-R168 IonicContact OE1-NH1 3.75Å; E144-R168 PolarHBondContact OE1-NH1 3.35Å
145	L	97.8	Very high	95.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	113.9	178	177.9	58.1	0	0	0	110	L121 L136 L142 L147 F160 L163 L166 R168 L169 H170	L121-L145 HydrophobicContact CB-CD1 4.34Å; L121-L145 HydrophobicContact CD2-CD1 4.21Å; L121-L145 HydrophobicContact CG-CD1 4.32Å; L136-L145 HydrophobicContact CD1-CD1 4.14Å; L136-L145 HydrophobicContact CD1-CD2 3.59Å; L142-L145 HydrophobicContact CD2-CB 4.07Å; L142-L145 HydrophobicContact CD2-CD1 4.31Å; L142-L145 HydrophobicContact CD2-CD2 4.48Å; L145-L147 HydrophobicContact CD1-CD1 4.07Å; L145-L147 HydrophobicContact CD1-CG 4.06Å; L145-L147 HydrophobicContact CD2-CD1 3.83Å; L145-L147 HydrophobicContact CG-CD1 3.82Å; L145-L147 HydrophobicContact CG-CG 4.12Å; L145-F160 HydrophobicContact CD2-CD1 4.36Å; L145-F160 HydrophobicContact CD2-CE1 4.14Å; L145-L163 HydrophobicContact CD2-CD1 4.07Å; L145-L166 HydrophobicContact CB-CD1 3.86Å; L145-L166 HydrophobicContact CB-CD2 4.2Å; L145-R168 PolarHBondContact N-O 3.27Å; L145-L169 HydrophobicContact CB-CD1 4.2Å; L145-L169 HydrophobicContact CD2-CD1 4.04Å; L145-L169 HydrophobicContact CG-CD1 4.15Å; L145-H170 PolarHBondContact O-N 2.87Å
146	Y	98.4	Very high	95.4	Very high	36 Å²	36	33.9 Å²	33.9	14%	0.141	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.8	-179.2	-59.7	-90.3	0	0	0	110.3	L121 H122 L123 E124 E144 H170	L121-Y146 PolarHBondContact O-N 2.79Å; L121-Y146 VanDerWaalsContact O-N 3.08Å; H122-Y146 AromaticContact CE1-CD2 3.29Å; H122-Y146 WeakPolarHBondContact CE1-CD2 3.29Å; H122-Y146 AromaticContact CE1-CE2 3.32Å; H122-Y146 WeakPolarHBondContact CE1-CE2 3.35Å; H122-Y146 AromaticContact CG-CD2 3.91Å; H122-Y146 AromaticContact ND1-CD2 3.36Å; H122-Y146 WeakPolarHBondContact ND1-CD2 3.5Å; H122-Y146 AromaticContact ND1-CE2 3.9Å; H122-Y146 AromaticContact ND1-CG 3.74Å; H122-Y146 AromaticContact NE2-CD2 3.8Å; H122-Y146 AromaticContact NE2-CE2 3.75Å; L123-Y146 CarbonylContact C-O 3.59Å; L123-Y146 WeakPolarHBondContact CA-O 3.39Å; L123-Y146 WeakPolarHBondContact CB-O 3.23Å; L123-Y146 PolarHBondContact N-O 2.87Å; E124-Y146 PolarHBondContact N-O 3.31Å; E124-Y146 WeakPolarHBondContact OE2-CB 3.15Å; E144-Y146 HydrophobicContact CB-CD2 4.43Å; E144-Y146 HydrophobicContact CB-CE2 3.67Å; Y146-H170 HydrophobicContact CD1-CB 3.84Å; Y146-H170 AromaticContact CD1-CD2 3.66Å; Y146-H170 AromaticContact CD1-CG 3.54Å; Y146-H170 AromaticContact CD1-ND1 3.88Å; Y146-H170 AromaticContact CE1-CD2 3.45Å; Y146-H170 VanDerWaalsContact CE1-CD2 3.45Å; Y146-H170 WeakPolarHBondContact CE1-CD2 3.16Å; Y146-H170 AromaticContact CE1-CE1 3.69Å; Y146-H170 AromaticContact CE1-CG 3.72Å; Y146-H170 AromaticContact CE1-ND1 3.85Å; Y146-H170 AromaticContact CE1-NE2 3.47Å; Y146-H170 WeakPolarHBondContact CE1-NE2 3.49Å
147	L	97.8	Very high	95.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.			trans	-130.2	14.9	-177.8	-75.4	166.3	0	0	0	111.3	L123 I128 L131 L145 N150 I152 H170 L171 N174	L123-L147 HydrophobicContact CB-CD2 3.83Å; L123-L147 HydrophobicContact CD1-CD2 3.92Å; I128-L147 HydrophobicContact CD1-CD2 4Å; L131-L147 HydrophobicContact CD1-CD1 3.91Å; L131-L147 HydrophobicContact CD2-CD1 4.33Å; L145-L147 HydrophobicContact CD1-CD1 4.07Å; L145-L147 HydrophobicContact CD1-CG 4.06Å; L145-L147 HydrophobicContact CD2-CD1 3.83Å; L145-L147 HydrophobicContact CG-CD1 3.82Å; L145-L147 HydrophobicContact CG-CG 4.12Å; L147-N150 PolarHBondContact O-ND2 3.22Å; L147-I152 HydrophobicContact CB-CD1 4.01Å; L147-I152 HydrophobicContact CD2-CD1 4.28Å; L147-H170 CarbonylContact C-O 3.28Å; L147-H170 WeakPolarHBondContact CA-O 3.24Å; L147-H170 WeakPolarHBondContact CB-O 3.02Å; L147-H170 PolarHBondContact N-O 3.48Å; L147-L171 HydrophobicContact CB-CD2 4.02Å; L147-L171 HydrophobicContact CD1-CD2 4.17Å; L147-N174 PolarHBondContact O-ND2 2.73Å
148	N	97.8	Very high	95.7	Very high	18 Å²	18	37.6 Å²	37.6	10%	0.096	21%	0.207	C	C	.	.			trans	-70.8	161.7	-179	55	-109.8	0	0	0	112.8	E124 E125 N150 H170 N172	E124-N148 WeakPolarHBondContact CA-O 3.34Å; E124-N148 WeakPolarHBondContact CB-ND2 3.08Å; E124-N148 WeakPolarHBondContact CB-O 3.43Å; E125-N148 PolarHBondContact N-O 2.95Å; N148-N150 VanDerWaalsContact C-N 3.26Å; N148-N150 PolarHBondContact O-N 2.66Å; N148-N150 PolarHBondContact O-ND2 2.03Å; N148-N150 VanDerWaalsContact O-ND2 3.14Å; N148-H170 HydrophobicContact CB-CB 4.38Å; N148-H170 PolarHBondContact N-O 2.87Å; N148-H170 WeakPolarHBondContact OD1-CB 3.37Å; N148-N172 CarbonylContact C-O 3.24Å; N148-N172 WeakPolarHBondContact CA-O 3.33Å; N148-N172 VanDerWaalsContact CB-O 3.24Å; N148-N172 WeakPolarHBondContact CB-O 3.36Å; N148-N172 WeakPolarHBondContact CB-OD1 3.2Å
149	H	97.4	Very high	96.1	Very high	95 Å²	95	33.6 Å²	33.6	44%	0.44	19%	0.185	S	C	.	.	S	Bend	trans	55.5	38.1	-179.2	-61.6	111	0	0	0	113.8	E125 N172 S173	E125-H149 WeakPolarHBondContact CA-O 3.39Å; E125-H149 HydrophobicContact CG-CB 3.86Å; H149-N172 PolarHBondContact N-O 2.75Å; H149-S173 WeakPolarHBondContact CD2-CB 3.36Å; H149-S173 PolarHBondContact CD2-OG 3.37Å; H149-S173 WeakPolarHBondContact NE2-CB 3.26Å; H149-S173 PolarHBondContact NE2-OG 2.82Å
150	N	98.2	Very high	96.3	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	19%	0.185	C	C	.	.	S	Bend	trans	-110.9	-168.1	173.8	-88.1	-97.6	0	0	0	110.8	L123 N126 W127 I128 L147 N148 I152 N174	L123-N150 PolarHBondContact O-ND2 2.86Å; N126-N150 WeakPolarHBondContact CA-OD1 3.23Å; N126-N150 VanDerWaalsContact CB-OD1 3.29Å; N126-N150 WeakPolarHBondContact CB-OD1 3.35Å; N126-N150 WeakPolarHBondContact O-CA 3.03Å; N126-N150 PolarHBondContact O-OD1 3.4Å; W127-N150 PolarHBondContact N-OD1 3.33Å; I128-N150 HydrophobicContact CB-CB 4.48Å; I128-N150 VanDerWaalsContact CB-OD1 3.31Å; I128-N150 WeakPolarHBondContact CB-OD1 3.29Å; I128-N150 WeakPolarHBondContact CG1-OD1 3.4Å; I128-N150 PolarHBondContact N-OD1 2.76Å; L147-N150 PolarHBondContact O-ND2 3.22Å; N148-N150 VanDerWaalsContact C-N 3.26Å; N148-N150 PolarHBondContact O-N 2.66Å; N148-N150 PolarHBondContact O-ND2 2.03Å; N148-N150 VanDerWaalsContact O-ND2 3.14Å; N150-I152 HydrophobicContact CB-CD1 4.31Å; N150-I152 HydrophobicContact CB-CG1 4.01Å; N150-N174 WeakPolarHBondContact CA-OD1 3.45Å; N150-N174 WeakPolarHBondContact CB-OD1 3.46Å; N150-N174 PolarHBondContact N-OD1 2.8Å; N150-N174 PolarHBondContact O-OD1 2.85Å
151	L	97.6	Very high	96.4	Very high	73 Å²	73	34.7 Å²	34.7	38%	0.382	19%	0.186	S	C	.	.			trans	-105.8	14.8	179.8	-60.3	179.6	0	0	0	113	W127 I128 E129 S153 N174	W127-L151 HydrophobicContact CB-CD1 4.12Å; I128-L151 CarbonylContact O-C 3.6Å; I128-L151 WeakPolarHBondContact O-CA 3.38Å; I128-L151 PolarHBondContact O-N 2.72Å; I128-L151 VanDerWaalsContact O-N 3.08Å; E129-L151 HydrophobicContact CG-CB 4.2Å; L151-S153 PolarHBondContact O-N 2.84Å; L151-N174 PolarHBondContact N-OD1 3.22Å
152	I	97.8	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.			trans	-61.7	111.4	-165.1	-55.1	171.8	0	0	0	110	I128 E129 L131 L147 N150 I155 L171 N174 K175 L176	I128-I152 HydrophobicContact CB-CG1 4.3Å; I128-I152 HydrophobicContact CG2-CD1 4.49Å; I128-I152 HydrophobicContact CG2-CG1 4.14Å; I128-I152 WeakPolarHBondContact O-CA 3.35Å; I128-I152 VanDerWaalsContact O-CG1 3.24Å; I128-I152 WeakPolarHBondContact O-CG1 3.37Å; I128-I152 PolarHBondContact O-N 2.93Å; E129-I152 WeakPolarHBondContact O-CA 3.2Å; L131-I152 HydrophobicContact CD1-CD1 4.46Å; L131-I152 HydrophobicContact CD2-CD1 4.38Å; L131-I152 HydrophobicContact CG-CD1 4.32Å; L131-I152 HydrophobicContact CG-CG2 4.31Å; L147-I152 HydrophobicContact CB-CD1 4.01Å; L147-I152 HydrophobicContact CD2-CD1 4.28Å; N150-I152 HydrophobicContact CB-CD1 4.31Å; N150-I152 HydrophobicContact CB-CG1 4.01Å; I152-I155 HydrophobicContact CG2-CD1 4.21Å; I152-I155 HydrophobicContact CG2-CG1 3.73Å; I152-L171 HydrophobicContact CD1-CD2 4.43Å; I152-N174 HydrophobicContact CB-CB 4.24Å; I152-N174 VanDerWaalsContact CB-OD1 3.3Å; I152-N174 WeakPolarHBondContact CB-OD1 3.38Å; I152-N174 VanDerWaalsContact CG1-OD1 3.29Å; I152-N174 WeakPolarHBondContact CG1-OD1 3.46Å; I152-N174 PolarHBondContact N-OD1 3.29Å; I152-K175 CarbonylContact O-C 3.17Å; I152-K175 VanDerWaalsContact O-C 3.24Å; I152-K175 WeakPolarHBondContact O-CA 3.46Å; I152-K175 PolarHBondContact O-N 2.94Å; I152-L176 HydrophobicContact CG2-CD2 3.95Å; I152-L176 WeakPolarHBondContact O-CD2 3.47Å; I152-L176 PolarHBondContact O-N 2.83Å; I152-L176 VanDerWaalsContact O-N 3.17Å
153	S	96.3	Very high	96.1	Very high	65 Å²	65	32.8 Å²	32.8	46%	0.455	18%	0.182	S	C	.	.			trans	-103.9	-24.2	-176.9	69.9	0	0	0	0	112.6	E129 L151	E129-S153 PolarHBondContact O-N 2.88Å; E129-S153 PolarHBondContact O-OG 3.09Å; L151-S153 PolarHBondContact O-N 2.84Å
154	S	95.6	Very high	96	Very high	55 Å²	55	33 Å²	33	39%	0.385	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.8	178.1	104.1	0	0	0	0	112.1	E130 L131	E130-S154 VanDerWaalsContact CA-O 3.32Å; E130-S154 WeakPolarHBondContact CA-O 3.42Å; L131-S154 PolarHBondContact N-O 2.8Å
155	I	96.8	Very high	95.8	Very high	4 Å²	4	35 Å²	35	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.2	175.2	-59.9	175.7	0	0	0	106.9	L131 I152 A159 F160 L171 L176 W183	L131-I155 HydrophobicContact CB-CB 4.36Å; L131-I155 HydrophobicContact CB-CG1 4.17Å; L131-I155 HydrophobicContact CB-CG2 4.12Å; L131-I155 HydrophobicContact CD1-CD1 4.01Å; L131-I155 HydrophobicContact CD1-CG1 3.91Å; L131-I155 HydrophobicContact CD1-CG2 4.18Å; L131-I155 HydrophobicContact CG-CG1 4.15Å; I152-I155 HydrophobicContact CG2-CD1 4.21Å; I152-I155 HydrophobicContact CG2-CG1 3.73Å; I155-A159 HydrophobicContact CG2-CB 3.71Å; I155-F160 HydrophobicContact CD1-CZ 4.3Å; I155-F160 HydrophobicContact CG2-CE2 3.77Å; I155-F160 HydrophobicContact CG2-CZ 4.1Å; I155-L171 HydrophobicContact CD1-CD1 4.16Å; I155-L171 HydrophobicContact CD1-CD2 4.11Å; I155-L176 HydrophobicContact CD1-CD1 4.02Å; I155-L176 HydrophobicContact CD1-CD2 3.77Å; I155-L176 HydrophobicContact CG1-CD2 3.86Å; I155-W183 HydrophobicContact CB-CD2 4.33Å; I155-W183 HydrophobicContact CB-CH2 4.3Å; I155-W183 HydrophobicContact CB-CZ2 3.65Å; I155-W183 HydrophobicContact CD1-CH2 4.35Å; I155-W183 HydrophobicContact CD1-CZ3 4.42Å; I155-W183 HydrophobicContact CG1-CZ2 4.4Å; I155-W183 HydrophobicContact CG2-CD2 4.2Å; I155-W183 HydrophobicContact CG2-CG 4.18Å; I155-W183 HydrophobicContact CG2-CZ2 4.38Å; I155-W183 PolarHBondContact O-NE1 3.49Å
156	S	95.8	Very high	95.8	Very high	28 Å²	28	35 Å²	35	20%	0.196	20%	0.2	C	C	.	.			trans	-72.1	152.5	177.2	-169.5	0	0	0	0	111.9	L131 E133 M158 A159	L131-S156 PolarHBondContact O-N 2.86Å; E133-S156 WeakPolarHBondContact CG-OG 3.47Å; S156-M158 PolarHBondContact O-N 3.5Å; S156-A159 VanDerWaalsContact O-CB 3.28Å; S156-A159 WeakPolarHBondContact O-CB 3.5Å; S156-A159 PolarHBondContact O-N 2.82Å
157	T	94.1	Very high	95.7	Very high	52 Å²	52	34.7 Å²	34.7	32%	0.319	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22	179.2	51.7	0	0	0	0	113.1	K180 E182	T157-K180 HydrophobicContact CG2-CD 4Å; T157-E182 HydrophobicContact CG2-CB 3.78Å; T157-E182 HydrophobicContact CG2-CG 4.25Å
158	M	94	Very high	95.7	Very high	72 Å²	72	37.3 Å²	37.3	36%	0.355	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	18.4	172.5	-57.3	-168.8	-170.7	0	0	113.6	E133 R134 S156 Q161	E133-M158 HydrophobicContact CB-CB 4.35Å; E133-M158 HydrophobicContact CG-CB 4.19Å; R134-M158 HydrophobicContact CG-CB 4.44Å; R134-M158 PolarHBondContact N-O 3.33Å; S156-M158 PolarHBondContact O-N 3.5Å; M158-Q161 HydrophobicContact CB-CB 4.25Å; M158-Q161 VanDerWaalsContact O-CB 3.28Å; M158-Q161 WeakPolarHBondContact O-CB 3.11Å; M158-Q161 PolarHBondContact O-N 2.99Å
159	A	95.4	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-51.4	-178.1	0	0	0	0	0	112.4	L131 P132 I155 S156 Q161	L131-A159 HydrophobicContact CB-CB 3.98Å; P132-A159 WeakPolarHBondContact O-CA 3.34Å; I155-A159 HydrophobicContact CG2-CB 3.71Å; S156-A159 VanDerWaalsContact O-CB 3.28Å; S156-A159 WeakPolarHBondContact O-CB 3.5Å; S156-A159 PolarHBondContact O-N 2.82Å; A159-Q161 VanDerWaalsContact C-N 3.25Å; A159-Q161 PolarHBondContact O-N 2.93Å
160	F	95.4	Very high	95.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	14.5	-179.2	-52.1	-62.8	0	0	0	114.1	L131 L145 I155 G162 L163 L169 L171 W183 P186 M187	L131-F160 HydrophobicContact CD1-CE1 3.77Å; L131-F160 HydrophobicContact CD1-CZ 3.7Å; L145-F160 HydrophobicContact CD2-CD1 4.36Å; L145-F160 HydrophobicContact CD2-CE1 4.14Å; I155-F160 HydrophobicContact CD1-CZ 4.3Å; I155-F160 HydrophobicContact CG2-CE2 3.77Å; I155-F160 HydrophobicContact CG2-CZ 4.1Å; F160-G162 PolarHBondContact O-N 3.32Å; F160-L163 HydrophobicContact CB-CD1 4.16Å; F160-L163 HydrophobicContact CD1-CD1 3.93Å; F160-L163 PolarHBondContact O-N 3.32Å; F160-L163 VanDerWaalsContact O-N 3.15Å; F160-L169 HydrophobicContact CE1-CD1 4.33Å; F160-L169 HydrophobicContact CE2-CD2 4.45Å; F160-L169 HydrophobicContact CZ-CD2 4.23Å; F160-L171 HydrophobicContact CZ-CD1 4.31Å; F160-W183 HydrophobicContact CD2-CB 4.2Å; F160-W183 WeakPolarHBondContact CD2-O 2.94Å; F160-W183 HydrophobicContact CE2-CB 4.19Å; F160-P186 WeakPolarHBondContact O-CB 3.46Å; F160-M187 HydrophobicContact CB-CE 3.93Å; F160-M187 HydrophobicContact CB-CG 4.21Å; F160-M187 HydrophobicContact CB-SD 3.64Å; F160-M187 HydrophobicContact CD1-CE 4.48Å; F160-M187 HydrophobicContact CD1-SD 4.27Å; F160-M187 HydrophobicContact CD2-CE 3.67Å; F160-M187 HydrophobicContact CD2-SD 4.38Å; F160-M187 HydrophobicContact CE2-CE 4.28Å; F160-M187 HydrophobicContact CG-CE 3.78Å; F160-M187 HydrophobicContact CG-SD 3.86Å
161	Q	94.4	Very high	95.7	Very high	88 Å²	88	33.1 Å²	33.1	41%	0.411	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	109.3	-177.6	-179.1	66.1	61.2	0	0	111	R134 S137 M158 A159	R134-Q161 HydrophobicContact CG-CB 4.24Å; R134-Q161 HydrophobicContact CG-CG 4.48Å; S137-Q161 VanDerWaalsContact CA-O 3.27Å; S137-Q161 WeakPolarHBondContact CA-O 3.29Å; S137-Q161 WeakPolarHBondContact CB-O 3.35Å; M158-Q161 HydrophobicContact CB-CB 4.25Å; M158-Q161 VanDerWaalsContact O-CB 3.28Å; M158-Q161 WeakPolarHBondContact O-CB 3.11Å; M158-Q161 PolarHBondContact O-N 2.99Å; A159-Q161 VanDerWaalsContact C-N 3.25Å; A159-Q161 PolarHBondContact O-N 2.93Å
162	G	89.8	Confident	95.6	Very high	24 Å²	24	30.6 Å²	30.6	25%	0.247	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.3	-18.3	-178.4	0	0	0	0	0	113.9	F160 S164	F160-G162 PolarHBondContact O-N 3.32Å; G162-S164 PolarHBondContact O-N 3.08Å
163	L	94.1	Very high	95.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.			trans	-81.7	44.2	-177.3	-53.9	-175.8	0	0	0	113	L136 L139 L142 L145 F160 N165 L166 M187	L136-L163 HydrophobicContact CB-CD1 4.23Å; L136-L163 HydrophobicContact CB-CD2 4.13Å; L136-L163 HydrophobicContact CD1-CD1 4.21Å; L136-L163 WeakPolarHBondContact O-CD2 3.37Å; L139-L163 HydrophobicContact CB-CD2 4.13Å; L142-L163 HydrophobicContact CB-CD2 4.25Å; L142-L163 HydrophobicContact CD2-CD2 4.16Å; L145-L163 HydrophobicContact CD2-CD1 4.07Å; F160-L163 HydrophobicContact CB-CD1 4.16Å; F160-L163 HydrophobicContact CD1-CD1 3.93Å; F160-L163 PolarHBondContact O-N 3.32Å; F160-L163 VanDerWaalsContact O-N 3.15Å; L163-N165 PolarHBondContact O-N 3.13Å; L163-N165 VanDerWaalsContact O-N 3.08Å; L163-L166 HydrophobicContact CB-CB 4.29Å; L163-L166 WeakPolarHBondContact O-CB 3.16Å; L163-L166 PolarHBondContact O-N 2.93Å; L163-L166 VanDerWaalsContact O-N 3.07Å; L163-M187 HydrophobicContact CB-CG 4.27Å; L163-M187 HydrophobicContact CB-SD 4.33Å
164	S	93.4	Very high	95.7	Very high	56 Å²	56	28.1 Å²	28.1	39%	0.392	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.9	-173.1	56.1	0	0	0	0	114.7	G162 P186 N189	G162-S164 PolarHBondContact O-N 3.08Å; S164-P186 WeakPolarHBondContact CA-O 3.4Å; S164-N189 PolarHBondContact O-ND2 3.41Å
165	N	94.9	Very high	95.7	Very high	63 Å²	63	30 Å²	30	34%	0.337	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	4	177.2	-67.5	-56.2	0	0	0	113.5	V140 N141 L142 L163 V167	V140-N165 PolarHBondContact O-ND2 3.15Å; N141-N165 PolarHBondContact OD1-ND2 2.98Å; L142-N165 CarbonylContact O-C 3.1Å; L163-N165 PolarHBondContact O-N 3.13Å; L163-N165 VanDerWaalsContact O-N 3.08Å; N165-V167 PolarHBondContact O-N 3.49Å
166	L	96.8	Very high	95.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.			trans	-68	126.9	-177.2	-155.9	77.9	0	0	0	111.3	L142 L145 L163 L169 M187 N189 L190	L142-L166 HydrophobicContact CB-CD1 4.33Å; L142-L166 HydrophobicContact CD2-CD1 4.02Å; L142-L166 HydrophobicContact CG-CD1 3.93Å; L142-L166 WeakPolarHBondContact O-CA 3.5Å; L142-L166 PolarHBondContact O-N 2.86Å; L145-L166 HydrophobicContact CB-CD1 3.86Å; L145-L166 HydrophobicContact CB-CD2 4.2Å; L163-L166 HydrophobicContact CB-CB 4.29Å; L163-L166 WeakPolarHBondContact O-CB 3.16Å; L163-L166 PolarHBondContact O-N 2.93Å; L163-L166 VanDerWaalsContact O-N 3.07Å; L166-L169 HydrophobicContact CD2-CB 3.93Å; L166-L169 HydrophobicContact CD2-CD1 4.19Å; L166-L169 HydrophobicContact CD2-CD2 4.42Å; L166-L169 HydrophobicContact CD2-CG 4.41Å; L166-M187 HydrophobicContact CB-CG 4.43Å; L166-M187 HydrophobicContact CB-SD 4.18Å; L166-M187 HydrophobicContact CD2-SD 3.46Å; L166-M187 WeakPolarHBondContact CD2-SD 3.48Å; L166-M187 HydrophobicContact CG-SD 4.45Å; L166-N189 CarbonylContact O-C 3.51Å; L166-L190 HydrophobicContact CB-CD1 4.42Å; L166-L190 HydrophobicContact CD2-CD1 4.05Å; L166-L190 HydrophobicContact CG-CD1 4.18Å; L166-L190 VanDerWaalsContact O-CA 3.27Å; L166-L190 WeakPolarHBondContact O-CA 3.39Å; L166-L190 PolarHBondContact O-N 3.41Å
167	V	96.2	Very high	95.6	Very high	30 Å²	30	34.8 Å²	34.8	18%	0.182	18%	0.18	C	C	.	.			trans	-106.4	-36.8	-178.9	-178.5	0	0	0	0	110.9	Q143 N165 E191 I192	Q143-V167 HydrophobicContact CB-CG2 4.32Å; Q143-V167 HydrophobicContact CG-CG2 4.28Å; Q143-V167 WeakPolarHBondContact O-CA 3.42Å; Q143-V167 PolarHBondContact O-N 2.85Å; N165-V167 PolarHBondContact O-N 3.49Å; V167-E191 HydrophobicContact CG1-CB 3.98Å; V167-E191 HydrophobicContact CG1-CG 4.04Å; V167-E191 PolarHBondContact O-N 3.24Å; V167-I192 PolarHBondContact O-N 2.88Å
168	R	97.8	Very high	95.5	Very high	55 Å²	55	34.9 Å²	34.9	21%	0.208	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.6	-177.4	-53.3	-168.7	172.3	88.7	10	111.5	P43 Q143 E144 L145 I192	P43-R168 PolarHBondContact O-NH1 3.3Å; P43-R168 PolarHBondContact O-NH2 3.41Å; Q143-R168 PolarHBondContact O-N 3.18Å; E144-R168 HydrophobicContact CB-CB 4.45Å; E144-R168 HydrophobicContact CG-CB 4.18Å; E144-R168 HydrophobicContact CG-CG 4.3Å; E144-R168 WeakPolarHBondContact OE1-CD 3.41Å; E144-R168 IonicContact OE1-CZ 3.83Å; E144-R168 IonicContact OE1-NE 2.93Å; E144-R168 IonicContact OE1-NH1 3.75Å; E144-R168 PolarHBondContact OE1-NH1 3.35Å; L145-R168 PolarHBondContact N-O 3.27Å; R168-I192 HydrophobicContact CB-CB 4.49Å; R168-I192 HydrophobicContact CG-CB 4.21Å; R168-I192 HydrophobicContact CG-CD1 4.25Å; R168-I192 HydrophobicContact CG-CG1 4.36Å
169	L	98.1	Very high	95.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	114.9	178.1	179.7	56.2	0	0	0	110.8	L145 F160 L166 L171 M187 L190 I192 L193 M194	L145-L169 HydrophobicContact CB-CD1 4.2Å; L145-L169 HydrophobicContact CD2-CD1 4.04Å; L145-L169 HydrophobicContact CG-CD1 4.15Å; F160-L169 HydrophobicContact CE1-CD1 4.33Å; F160-L169 HydrophobicContact CE2-CD2 4.45Å; F160-L169 HydrophobicContact CZ-CD2 4.23Å; L166-L169 HydrophobicContact CD2-CB 3.93Å; L166-L169 HydrophobicContact CD2-CD1 4.19Å; L166-L169 HydrophobicContact CD2-CD2 4.42Å; L166-L169 HydrophobicContact CD2-CG 4.41Å; L169-L171 HydrophobicContact CD1-CD1 4.34Å; L169-L171 HydrophobicContact CD1-CD2 4.48Å; L169-L171 HydrophobicContact CD1-CG 4.05Å; L169-L171 HydrophobicContact CD2-CD1 3.94Å; L169-L171 HydrophobicContact CD2-CG 4.5Å; L169-L171 HydrophobicContact CG-CD1 4.02Å; L169-L171 HydrophobicContact CG-CG 4.05Å; L169-M187 HydrophobicContact CD2-CE 3.62Å; L169-M187 HydrophobicContact CD2-SD 4.31Å; L169-L190 HydrophobicContact CB-CD1 3.72Å; L169-L190 HydrophobicContact CB-CD2 4.24Å; L169-I192 PolarHBondContact N-O 2.99Å; L169-L193 HydrophobicContact CB-CD1 4.3Å; L169-L193 HydrophobicContact CD2-CD1 4.19Å; L169-L193 HydrophobicContact CG-CD1 4.23Å; L169-M194 PolarHBondContact O-N 2.98Å
170	H	98.3	Very high	95.3	Very high	27 Å²	27	35.6 Å²	35.6	13%	0.125	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.1	179.5	-67.2	-124.4	0	0	0	110	L145 Y146 L147 N148 M194	L145-H170 PolarHBondContact O-N 2.87Å; Y146-H170 HydrophobicContact CD1-CB 3.84Å; Y146-H170 AromaticContact CD1-CD2 3.66Å; Y146-H170 AromaticContact CD1-CG 3.54Å; Y146-H170 AromaticContact CD1-ND1 3.88Å; Y146-H170 AromaticContact CE1-CD2 3.45Å; Y146-H170 VanDerWaalsContact CE1-CD2 3.45Å; Y146-H170 WeakPolarHBondContact CE1-CD2 3.16Å; Y146-H170 AromaticContact CE1-CE1 3.69Å; Y146-H170 AromaticContact CE1-CG 3.72Å; Y146-H170 AromaticContact CE1-ND1 3.85Å; Y146-H170 AromaticContact CE1-NE2 3.47Å; Y146-H170 WeakPolarHBondContact CE1-NE2 3.49Å; L147-H170 CarbonylContact C-O 3.28Å; L147-H170 WeakPolarHBondContact CA-O 3.24Å; L147-H170 WeakPolarHBondContact CB-O 3.02Å; L147-H170 PolarHBondContact N-O 3.48Å; N148-H170 HydrophobicContact CB-CB 4.38Å; N148-H170 PolarHBondContact N-O 2.87Å; N148-H170 WeakPolarHBondContact OD1-CB 3.37Å; H170-M194 PolarHBondContact CE1-SD 3.32Å
171	L	97.6	Very high	95.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.201	C	C	.	.			trans	-117.7	7.2	178.9	-72.8	170.1	0	0	0	112.2	L147 I152 I155 F160 L169 N174 M194 I195 N198	L147-L171 HydrophobicContact CB-CD2 4.02Å; L147-L171 HydrophobicContact CD1-CD2 4.17Å; I152-L171 HydrophobicContact CD1-CD2 4.43Å; I155-L171 HydrophobicContact CD1-CD1 4.16Å; I155-L171 HydrophobicContact CD1-CD2 4.11Å; F160-L171 HydrophobicContact CZ-CD1 4.31Å; L169-L171 HydrophobicContact CD1-CD1 4.34Å; L169-L171 HydrophobicContact CD1-CD2 4.48Å; L169-L171 HydrophobicContact CD1-CG 4.05Å; L169-L171 HydrophobicContact CD2-CD1 3.94Å; L169-L171 HydrophobicContact CD2-CG 4.5Å; L169-L171 HydrophobicContact CG-CD1 4.02Å; L169-L171 HydrophobicContact CG-CG 4.05Å; L171-N174 PolarHBondContact O-ND2 3.09Å; L171-M194 CarbonylContact C-O 3.54Å; L171-M194 WeakPolarHBondContact CA-O 3.47Å; L171-M194 PolarHBondContact N-O 3Å; L171-I195 HydrophobicContact CB-CG1 4.21Å; L171-I195 HydrophobicContact CD1-CD1 4.18Å; L171-N198 PolarHBondContact O-ND2 3.14Å
172	N	96.2	Very high	95.3	Very high	20 Å²	20	40.3 Å²	40.3	11%	0.107	20%	0.199	C	C	.	.			trans	-65.7	158.1	-174.9	64.5	-86.9	0	0	0	113.3	N148 H149 N174 M194 G196	N148-N172 CarbonylContact C-O 3.24Å; N148-N172 WeakPolarHBondContact CA-O 3.33Å; N148-N172 VanDerWaalsContact CB-O 3.24Å; N148-N172 WeakPolarHBondContact CB-O 3.36Å; N148-N172 WeakPolarHBondContact CB-OD1 3.2Å; H149-N172 PolarHBondContact N-O 2.75Å; N172-N174 VanDerWaalsContact C-N 3.34Å; N172-N174 PolarHBondContact O-N 3.22Å; N172-N174 PolarHBondContact O-ND2 3.11Å; N172-M194 PolarHBondContact N-O 3.01Å; N172-M194 VanDerWaalsContact N-O 3.14Å; N172-G196 CarbonylContact C-O 3.59Å; N172-G196 WeakPolarHBondContact CA-O 3.15Å; N172-G196 VanDerWaalsContact CB-O 3.27Å; N172-G196 WeakPolarHBondContact CB-O 3.39Å
173	S	96.6	Very high	95.5	Very high	13 Å²	13	39.5 Å²	39.5	9%	0.091	19%	0.188	C	C	.	.	S	Bend	trans	62.9	36.4	176	-42.5	0	0	0	0	114	H149 G196 E197	H149-S173 WeakPolarHBondContact CD2-CB 3.36Å; H149-S173 PolarHBondContact CD2-OG 3.37Å; H149-S173 WeakPolarHBondContact NE2-CB 3.26Å; H149-S173 PolarHBondContact NE2-OG 2.82Å; S173-G196 PolarHBondContact N-O 2.97Å; S173-E197 WeakPolarHBondContact CA-O 3.31Å
174	N	97.8	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-106.7	-151.3	179.6	-89.2	-72.2	0	0	0	111.2	L147 N150 L151 I152 L171 N172 L176 N198	L147-N174 PolarHBondContact O-ND2 2.73Å; N150-N174 WeakPolarHBondContact CA-OD1 3.45Å; N150-N174 WeakPolarHBondContact CB-OD1 3.46Å; N150-N174 PolarHBondContact N-OD1 2.8Å; N150-N174 PolarHBondContact O-OD1 2.85Å; L151-N174 PolarHBondContact N-OD1 3.22Å; I152-N174 HydrophobicContact CB-CB 4.24Å; I152-N174 VanDerWaalsContact CB-OD1 3.3Å; I152-N174 WeakPolarHBondContact CB-OD1 3.38Å; I152-N174 VanDerWaalsContact CG1-OD1 3.29Å; I152-N174 WeakPolarHBondContact CG1-OD1 3.46Å; I152-N174 PolarHBondContact N-OD1 3.29Å; L171-N174 PolarHBondContact O-ND2 3.09Å; N172-N174 VanDerWaalsContact C-N 3.34Å; N172-N174 PolarHBondContact O-N 3.22Å; N172-N174 PolarHBondContact O-ND2 3.11Å; N174-L176 HydrophobicContact CB-CG 4.5Å; N174-N198 VanDerWaalsContact CA-OD1 3.3Å; N174-N198 WeakPolarHBondContact CA-OD1 3.22Å; N174-N198 WeakPolarHBondContact CB-OD1 3.46Å; N174-N198 PolarHBondContact N-OD1 3.05Å
175	K	96.8	Very high	95.6	Very high	94 Å²	94	41.4 Å²	41.4	41%	0.409	19%	0.191	S	C	.	.			trans	-129.8	21.1	-177.5	-54.9	-68.1	160.8	-96.8	0	112.5	I152 N198	I152-K175 CarbonylContact O-C 3.17Å; I152-K175 VanDerWaalsContact O-C 3.24Å; I152-K175 WeakPolarHBondContact O-CA 3.46Å; I152-K175 PolarHBondContact O-N 2.94Å; K175-N198 PolarHBondContact N-OD1 2.8Å
176	L	96	Very high	95.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	18%	0.181	C	C	.	.			trans	-65.3	134.2	-178.5	-57.6	174.6	0	0	0	111.1	I152 I155 N174 W183 I195 N198 P199 V200	I152-L176 HydrophobicContact CG2-CD2 3.95Å; I152-L176 WeakPolarHBondContact O-CD2 3.47Å; I152-L176 PolarHBondContact O-N 2.83Å; I152-L176 VanDerWaalsContact O-N 3.17Å; I155-L176 HydrophobicContact CD1-CD1 4.02Å; I155-L176 HydrophobicContact CD1-CD2 3.77Å; I155-L176 HydrophobicContact CG1-CD2 3.86Å; N174-L176 HydrophobicContact CB-CG 4.5Å; L176-W183 HydrophobicContact CD1-CZ3 4.47Å; L176-W183 HydrophobicContact CD2-CH2 4.33Å; L176-I195 HydrophobicContact CD1-CD1 4.17Å; L176-I195 HydrophobicContact CD1-CG1 4.24Å; L176-N198 HydrophobicContact CB-CB 4.14Å; L176-N198 WeakPolarHBondContact CB-OD1 3.49Å; L176-N198 WeakPolarHBondContact CG-OD1 3.37Å; L176-N198 PolarHBondContact N-OD1 2.8Å; L176-P199 CarbonylContact O-C 3.45Å; L176-P199 VanDerWaalsContact O-C 3.26Å; L176-P199 VanDerWaalsContact O-CD 3.28Å; L176-P199 WeakPolarHBondContact O-CD 3.19Å; L176-V200 HydrophobicContact CB-CG2 4.44Å; L176-V200 WeakPolarHBondContact O-CG2 3.42Å; L176-V200 PolarHBondContact O-N 3.32Å
177	K	93.2	Very high	95.5	Very high	133 Å²	133	39.3 Å²	39.3	58%	0.578	18%	0.181	S	C	*	.			trans	-107.7	-12.4	-177.8	-64.1	178.7	-177.3	173.4	0	114.8	P199 V200 L201	K177-P199 WeakPolarHBondContact CA-O 3.49Å; K177-V200 WeakPolarHBondContact O-CA 3.34Å; K177-L201 PolarHBondContact O-N 2.91Å
178	V	92.2	Very high	95.4	Very high	54 Å²	54	40.8 Å²	40.8	33%	0.327	19%	0.191	S	C	.	.			trans	-147.9	148.7	-175.1	176.6	0	0	0	0	107.1	K180 W183 Y204	V178-K180 HydrophobicContact CG1-CG 4.39Å; V178-W183 WeakPolarHBondContact O-CH2 3.44Å; V178-Y204 HydrophobicContact CG1-CE2 4.22Å
179	I	93.3	Very high	95.2	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.198	C	C	.	.			trans	-109.2	127.1	165.8	-59.5	176.4	0	0	0	108.7	W183 F184 I195 V200 I203 N207 F208 M222	I179-W183 HydrophobicContact CB-CZ3 4.29Å; I179-W183 HydrophobicContact CG1-CZ3 4.49Å; I179-W183 HydrophobicContact CG2-CE3 4.16Å; I179-W183 HydrophobicContact CG2-CZ3 4.14Å; I179-F184 HydrophobicContact CG2-CE2 3.54Å; I179-F184 HydrophobicContact CG2-CZ 3.7Å; I179-I195 HydrophobicContact CD1-CD1 3.92Å; I179-I195 HydrophobicContact CD1-CG1 4.36Å; I179-I195 HydrophobicContact CD1-CG2 4.1Å; I179-I195 HydrophobicContact CG1-CD1 4Å; I179-V200 HydrophobicContact CG1-CG1 4.24Å; I179-V200 HydrophobicContact CG1-CG2 4.17Å; I179-I203 HydrophobicContact CD1-CD1 4.43Å; I179-I203 HydrophobicContact CD1-CG1 4.31Å; I179-N207 PolarHBondContact O-ND2 3.07Å; I179-N207 PolarHBondContact O-OD1 3.01Å; I179-F208 HydrophobicContact CD1-CE1 4.31Å; I179-F208 HydrophobicContact CD1-CZ 4.08Å; I179-F208 HydrophobicContact CG2-CE1 4.17Å; I179-M222 HydrophobicContact CD1-CE 3.77Å
180	K	93.1	Very high	95.1	Very high	85 Å²	85	41.4 Å²	41.4	37%	0.37	20%	0.198	S	C	.	.			trans	-102.2	134.8	177.8	-65.8	-174.4	-177.7	174.1	0	110.9	T157 V178 E182 W183	T157-K180 HydrophobicContact CG2-CD 4Å; V178-K180 HydrophobicContact CG1-CG 4.39Å; K180-E182 WeakPolarHBondContact CB-OE2 3.39Å; K180-E182 PolarHBondContact O-N 3.46Å; K180-W183 HydrophobicContact CB-CD2 3.79Å; K180-W183 HydrophobicContact CB-CE3 4.4Å; K180-W183 HydrophobicContact CB-CG 4.02Å; K180-W183 HydrophobicContact CB-CZ2 4.18Å; K180-W183 HydrophobicContact CD-CZ2 4.26Å; K180-W183 HydrophobicContact CG-CZ2 4.03Å; K180-W183 WeakPolarHBondContact O-CB 3.2Å; K180-W183 PolarHBondContact O-N 3.26Å
181	R	93.9	Very high	95	Very high	108 Å²	108	42.6 Å²	42.6	41%	0.408	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-62.6	-33.2	176.7	55.5	167	-75.5	165	-4	112.3	W183 F184 E185 N207	R181-W183 PolarHBondContact O-N 3.29Å; R181-F184 WeakPolarHBondContact O-CB 3.46Å; R181-F184 PolarHBondContact O-N 3.09Å; R181-E185 IonicContact CZ-OE1 2.68Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact NE-OE1 3.23Å; R181-E185 PolarHBondContact NE-OE1 3.18Å; R181-E185 IonicContact NH2-OE1 2.76Å; R181-E185 PolarHBondContact NH2-OE1 2.99Å; R181-N207 WeakPolarHBondContact CA-O 3.45Å
182	E	95.1	Very high	94.9	Very high	80 Å²	80	44.4 Å²	44.4	37%	0.374	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-64.6	-24	-176.7	-60.4	88.5	158.7	0	0	112.2	T157 K180 F184 P186	T157-E182 HydrophobicContact CG2-CB 3.78Å; T157-E182 HydrophobicContact CG2-CG 4.25Å; K180-E182 WeakPolarHBondContact CB-OE2 3.39Å; K180-E182 PolarHBondContact O-N 3.46Å; E182-F184 PolarHBondContact O-N 2.72Å; E182-P186 WeakPolarHBondContact O-CD 3.41Å
183	W	95.1	Very high	95	Very high	8 Å²	8	43.5 Å²	43.5	3%	0.03	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-62.8	-30	172.6	-61.4	-25.4	0	0	0	112.7	I155 F160 L176 V178 I179 K180 R181 M187	I155-W183 HydrophobicContact CB-CD2 4.33Å; I155-W183 HydrophobicContact CB-CH2 4.3Å; I155-W183 HydrophobicContact CB-CZ2 3.65Å; I155-W183 HydrophobicContact CD1-CH2 4.35Å; I155-W183 HydrophobicContact CD1-CZ3 4.42Å; I155-W183 HydrophobicContact CG1-CZ2 4.4Å; I155-W183 HydrophobicContact CG2-CD2 4.2Å; I155-W183 HydrophobicContact CG2-CG 4.18Å; I155-W183 HydrophobicContact CG2-CZ2 4.38Å; I155-W183 PolarHBondContact O-NE1 3.49Å; F160-W183 HydrophobicContact CD2-CB 4.2Å; F160-W183 WeakPolarHBondContact CD2-O 2.94Å; F160-W183 HydrophobicContact CE2-CB 4.19Å; L176-W183 HydrophobicContact CD1-CZ3 4.47Å; L176-W183 HydrophobicContact CD2-CH2 4.33Å; V178-W183 WeakPolarHBondContact O-CH2 3.44Å; I179-W183 HydrophobicContact CB-CZ3 4.29Å; I179-W183 HydrophobicContact CG1-CZ3 4.49Å; I179-W183 HydrophobicContact CG2-CE3 4.16Å; I179-W183 HydrophobicContact CG2-CZ3 4.14Å; K180-W183 HydrophobicContact CB-CD2 3.79Å; K180-W183 HydrophobicContact CB-CE3 4.4Å; K180-W183 HydrophobicContact CB-CG 4.02Å; K180-W183 HydrophobicContact CB-CZ2 4.18Å; K180-W183 HydrophobicContact CD-CZ2 4.26Å; K180-W183 HydrophobicContact CG-CZ2 4.03Å; K180-W183 WeakPolarHBondContact O-CB 3.2Å; K180-W183 PolarHBondContact O-N 3.26Å; R181-W183 PolarHBondContact O-N 3.29Å; W183-M187 WeakPolarHBondContact O-CE 3.48Å
184	F	95.2	Very high	95	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-19.8	-171.8	-57.5	-48.6	0	0	0	113.4	I179 R181 E182 P186 M187 L193 N207 F208 P210 L211	I179-F184 HydrophobicContact CG2-CE2 3.54Å; I179-F184 HydrophobicContact CG2-CZ 3.7Å; R181-F184 WeakPolarHBondContact O-CB 3.46Å; R181-F184 PolarHBondContact O-N 3.09Å; E182-F184 PolarHBondContact O-N 2.72Å; F184-P186 VanDerWaalsContact C-CD 3.46Å; F184-P186 VanDerWaalsContact C-N 3.32Å; F184-M187 HydrophobicContact CD1-CE 4.37Å; F184-M187 PolarHBondContact O-N 2.94Å; F184-L193 HydrophobicContact CE1-CD1 4.25Å; F184-L193 HydrophobicContact CE1-CD2 3.66Å; F184-L193 HydrophobicContact CZ-CD2 3.69Å; F184-N207 WeakPolarHBondContact CD2-O 3.44Å; F184-F208 HydrophobicContact CD2-CD1 4.34Å; F184-F208 AromaticContact CE2-CD1 3.69Å; F184-F208 HydrophobicContact CE2-CD1 3.69Å; F184-F208 AromaticContact CE2-CE1 3.94Å; F184-F208 HydrophobicContact CE2-CE1 3.94Å; F184-F208 HydrophobicContact CZ-CD1 4.16Å; F184-F208 HydrophobicContact CZ-CE1 4.14Å; F184-P210 HydrophobicContact CB-CB 4.03Å; F184-P210 HydrophobicContact CB-CG 4.15Å; F184-L211 HydrophobicContact CB-CD1 4.34Å; F184-L211 HydrophobicContact CB-CD2 3.66Å; F184-L211 HydrophobicContact CB-CG 3.89Å; F184-L211 HydrophobicContact CD1-CD1 3.95Å; F184-L211 HydrophobicContact CD1-CD2 4.06Å; F184-L211 HydrophobicContact CD1-CG 4.36Å; F184-L211 HydrophobicContact CD2-CD1 4.17Å; F184-L211 HydrophobicContact CE1-CD1 4.3Å; F184-L211 HydrophobicContact CE2-CD1 4.49Å; F184-L211 HydrophobicContact CG-CD1 3.89Å; F184-L211 HydrophobicContact CG-CD2 4Å; F184-L211 HydrophobicContact CG-CG 4.01Å
185	E	94	Very high	94.9	Very high	96 Å²	96	45.5 Å²	45.5	45%	0.449	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.5	179.5	-64.7	-177.8	-172.7	0	0	114.4	R181 M187 P210	R181-E185 IonicContact CZ-OE1 2.68Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact NE-OE1 3.23Å; R181-E185 PolarHBondContact NE-OE1 3.18Å; R181-E185 IonicContact NH2-OE1 2.76Å; R181-E185 PolarHBondContact NH2-OE1 2.99Å; E185-M187 VanDerWaalsContact C-N 3.33Å; E185-M187 PolarHBondContact O-N 3.45Å; E185-P210 HydrophobicContact CG-CB 4.12Å; E185-P210 HydrophobicContact CG-CG 3.63Å
186	P	94.8	Very high	94.7	Very high	18 Å²	18	41 Å²	41	12%	0.117	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.2	171.5	-20.5	34.3	0	0	0	116	F160 S164 E182 F184 P188	F160-P186 WeakPolarHBondContact O-CB 3.46Å; S164-P186 WeakPolarHBondContact CA-O 3.4Å; E182-P186 WeakPolarHBondContact O-CD 3.41Å; F184-P186 VanDerWaalsContact C-CD 3.46Å; F184-P186 VanDerWaalsContact C-N 3.32Å; P186-P188 VanDerWaalsContact C-CD 3.44Å; P186-P188 WeakPolarHBondContact O-CD 3.43Å
187	M	95.3	Very high	94.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.			trans	-126.5	59.6	-167.1	-58.2	-177.4	-61.2	0	0	112.9	F160 L163 L166 L169 W183 F184 E185 N189 L190	F160-M187 HydrophobicContact CB-CE 3.93Å; F160-M187 HydrophobicContact CB-CG 4.21Å; F160-M187 HydrophobicContact CB-SD 3.64Å; F160-M187 HydrophobicContact CD1-CE 4.48Å; F160-M187 HydrophobicContact CD1-SD 4.27Å; F160-M187 HydrophobicContact CD2-CE 3.67Å; F160-M187 HydrophobicContact CD2-SD 4.38Å; F160-M187 HydrophobicContact CE2-CE 4.28Å; F160-M187 HydrophobicContact CG-CE 3.78Å; F160-M187 HydrophobicContact CG-SD 3.86Å; L163-M187 HydrophobicContact CB-CG 4.27Å; L163-M187 HydrophobicContact CB-SD 4.33Å; L166-M187 HydrophobicContact CB-CG 4.43Å; L166-M187 HydrophobicContact CB-SD 4.18Å; L166-M187 HydrophobicContact CD2-SD 3.46Å; L166-M187 WeakPolarHBondContact CD2-SD 3.48Å; L166-M187 HydrophobicContact CG-SD 4.45Å; L169-M187 HydrophobicContact CD2-CE 3.62Å; L169-M187 HydrophobicContact CD2-SD 4.31Å; W183-M187 WeakPolarHBondContact O-CE 3.48Å; F184-M187 HydrophobicContact CD1-CE 4.37Å; F184-M187 PolarHBondContact O-N 2.94Å; E185-M187 VanDerWaalsContact C-N 3.33Å; E185-M187 PolarHBondContact O-N 3.45Å; M187-N189 PolarHBondContact O-N 3.4Å; M187-L190 PolarHBondContact O-N 2.68Å
188	P	92.3	Very high	94.6	Very high	61 Å²	61	38.2 Å²	38.2	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.4	-174.8	30.4	-37.5	0	0	0	114.4	P186	P186-P188 VanDerWaalsContact C-CD 3.44Å; P186-P188 WeakPolarHBondContact O-CD 3.43Å
189	N	94.3	Very high	94.6	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.364	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	4.6	-178.3	-67.9	-49.2	0	0	0	114.2	S164 L166 M187 E191 N213	S164-N189 PolarHBondContact O-ND2 3.41Å; L166-N189 CarbonylContact O-C 3.51Å; M187-N189 PolarHBondContact O-N 3.4Å; N189-E191 PolarHBondContact O-N 2.86Å; N189-N213 PolarHBondContact OD1-ND2 3.31Å
190	L	96.5	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.			trans	-66.3	119.7	-176.7	-164.9	77.6	0	0	0	111.1	L166 L169 M187 L193 L211 N213 L214	L166-L190 HydrophobicContact CB-CD1 4.42Å; L166-L190 HydrophobicContact CD2-CD1 4.05Å; L166-L190 HydrophobicContact CG-CD1 4.18Å; L166-L190 VanDerWaalsContact O-CA 3.27Å; L166-L190 WeakPolarHBondContact O-CA 3.39Å; L166-L190 PolarHBondContact O-N 3.41Å; L169-L190 HydrophobicContact CB-CD1 3.72Å; L169-L190 HydrophobicContact CB-CD2 4.24Å; M187-L190 PolarHBondContact O-N 2.68Å; L190-L193 HydrophobicContact CD2-CB 4Å; L190-L193 HydrophobicContact CD2-CD1 4.33Å; L190-L211 HydrophobicContact CB-CD2 4.02Å; L190-L211 HydrophobicContact CD2-CD1 4.44Å; L190-L211 HydrophobicContact CD2-CD2 3.91Å; L190-N213 CarbonylContact O-C 3.25Å; L190-L214 HydrophobicContact CD2-CD1 4.25Å; L190-L214 HydrophobicContact CG-CD1 4.32Å; L190-L214 WeakPolarHBondContact O-CA 3.24Å; L190-L214 PolarHBondContact O-N 2.7Å
191	E	95.3	Very high	94.1	Very high	52 Å²	52	40.5 Å²	40.5	24%	0.243	20%	0.204	C	C	.	.			trans	-96.5	-27.3	176.5	-64.9	-160.6	145.1	0	0	112.7	V167 N189 R215 S216	V167-E191 HydrophobicContact CG1-CB 3.98Å; V167-E191 HydrophobicContact CG1-CG 4.04Å; V167-E191 PolarHBondContact O-N 3.24Å; N189-E191 PolarHBondContact O-N 2.86Å; E191-R215 HydrophobicContact CB-CG 4.27Å; E191-R215 HydrophobicContact CG-CG 4.49Å; E191-R215 WeakPolarHBondContact O-CA 3.46Å; E191-R215 PolarHBondContact O-N 2.79Å; E191-R215 IonicContact OE1-CZ 3.64Å; E191-R215 VanDerWaalsContact OE1-CZ 3.22Å; E191-R215 IonicContact OE1-NE 2.84Å; E191-R215 PolarHBondContact OE1-NE 3.1Å; E191-R215 IonicContact OE1-NH2 3.71Å; E191-R215 PolarHBondContact OE1-NH2 2.96Å; E191-R215 IonicContact OE2-NE 2.77Å; E191-R215 PolarHBondContact OE2-NE 2.86Å; E191-S216 PolarHBondContact O-N 3.47Å
192	I	96.3	Very high	93.6	Very high	40 Å²	40	36.3 Å²	36.3	21%	0.205	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124	-177.8	-53.2	-173	0	0	0	111.1	V167 R168 L169 M194	V167-I192 PolarHBondContact O-N 2.88Å; R168-I192 HydrophobicContact CB-CB 4.49Å; R168-I192 HydrophobicContact CG-CB 4.21Å; R168-I192 HydrophobicContact CG-CD1 4.25Å; R168-I192 HydrophobicContact CG-CG1 4.36Å; L169-I192 PolarHBondContact N-O 2.99Å; I192-M194 HydrophobicContact CG2-CG 4.22Å
193	L	97.5	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.1	173	178.6	59.4	0	0	0	110.9	L169 F184 L190 I195 F208 L211 L214 S216 L217 V218	L169-L193 HydrophobicContact CB-CD1 4.3Å; L169-L193 HydrophobicContact CD2-CD1 4.19Å; L169-L193 HydrophobicContact CG-CD1 4.23Å; F184-L193 HydrophobicContact CE1-CD1 4.25Å; F184-L193 HydrophobicContact CE1-CD2 3.66Å; F184-L193 HydrophobicContact CZ-CD2 3.69Å; L190-L193 HydrophobicContact CD2-CB 4Å; L190-L193 HydrophobicContact CD2-CD1 4.33Å; L193-I195 HydrophobicContact CD1-CB 4.39Å; L193-I195 HydrophobicContact CG-CB 4.46Å; L193-I195 HydrophobicContact CG-CG2 4.44Å; L193-F208 HydrophobicContact CD2-CD1 4.22Å; L193-F208 HydrophobicContact CD2-CE1 4.13Å; L193-L211 HydrophobicContact CD2-CD1 3.84Å; L193-L214 HydrophobicContact CB-CD1 3.89Å; L193-S216 PolarHBondContact N-O 3.48Å; L193-L217 HydrophobicContact CB-CD1 4.22Å; L193-L217 HydrophobicContact CD2-CD1 3.97Å; L193-L217 HydrophobicContact CG-CD1 4.2Å; L193-V218 PolarHBondContact O-N 3.42Å
194	M	97	Very high	92.9	Very high	55 Å²	55	38.2 Å²	38.2	27%	0.271	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106	172.3	-61	-169.5	69.1	0	0	109.7	L169 H170 L171 N172 I192 V218	L169-M194 PolarHBondContact O-N 2.98Å; H170-M194 PolarHBondContact CE1-SD 3.32Å; L171-M194 CarbonylContact C-O 3.54Å; L171-M194 WeakPolarHBondContact CA-O 3.47Å; L171-M194 PolarHBondContact N-O 3Å; N172-M194 PolarHBondContact N-O 3.01Å; N172-M194 VanDerWaalsContact N-O 3.14Å; I192-M194 HydrophobicContact CG2-CG 4.22Å; M194-V218 HydrophobicContact CB-CB 4.49Å; M194-V218 HydrophobicContact CE-CB 4.44Å; M194-V218 HydrophobicContact CE-CG1 4.34Å; M194-V218 HydrophobicContact CE-CG2 4.26Å; M194-V218 HydrophobicContact CG-CB 4.22Å; M194-V218 HydrophobicContact CG-CG2 4.11Å
195	I	95.4	Very high	92.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.			trans	-126.9	6.2	-176.4	-162.4	159.6	0	0	0	113.4	L171 L176 I179 L193 N198 V218 L219 M222	L171-I195 HydrophobicContact CB-CG1 4.21Å; L171-I195 HydrophobicContact CD1-CD1 4.18Å; L176-I195 HydrophobicContact CD1-CD1 4.17Å; L176-I195 HydrophobicContact CD1-CG1 4.24Å; I179-I195 HydrophobicContact CD1-CD1 3.92Å; I179-I195 HydrophobicContact CD1-CG1 4.36Å; I179-I195 HydrophobicContact CD1-CG2 4.1Å; I179-I195 HydrophobicContact CG1-CD1 4Å; L193-I195 HydrophobicContact CD1-CB 4.39Å; L193-I195 HydrophobicContact CG-CB 4.46Å; L193-I195 HydrophobicContact CG-CG2 4.44Å; I195-N198 PolarHBondContact O-ND2 3.09Å; I195-V218 PolarHBondContact N-O 3.46Å; I195-V218 VanDerWaalsContact N-O 3.08Å; I195-L219 HydrophobicContact CG2-CD2 3.62Å; I195-M222 HydrophobicContact CG2-CE 4.31Å; I195-M222 HydrophobicContact CG2-SD 4.28Å
196	G	92.6	Very high	92.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.			trans	-56.7	173.9	173.8	0	0	0	0	0	115.3	N172 S173 N198 V218 T220	N172-G196 CarbonylContact C-O 3.59Å; N172-G196 WeakPolarHBondContact CA-O 3.15Å; N172-G196 VanDerWaalsContact CB-O 3.27Å; N172-G196 WeakPolarHBondContact CB-O 3.39Å; S173-G196 PolarHBondContact N-O 2.97Å; G196-N198 PolarHBondContact O-N 3.25Å; G196-N198 VanDerWaalsContact O-N 3.13Å; G196-N198 PolarHBondContact O-ND2 2.91Å; G196-N198 VanDerWaalsContact O-ND2 3.12Å; G196-V218 PolarHBondContact N-O 3.1Å; G196-V218 VanDerWaalsContact N-O 3.09Å; G196-T220 CarbonylContact C-O 3.52Å; G196-T220 WeakPolarHBondContact CA-O 3.49Å
197	E	93.1	Very high	92	Very high	75 Å²	75	39.9 Å²	39.9	35%	0.35	21%	0.206	S	C	.	.	S	Bend	trans	55.1	28.5	-178.1	-44.7	-149.5	-137.7	0	0	113.7	S173 T220 R221	S173-E197 WeakPolarHBondContact CA-O 3.31Å; E197-T220 PolarHBondContact N-O 3.35Å; E197-R221 WeakPolarHBondContact CA-O 3.45Å; E197-R221 HydrophobicContact CG-CB 4.16Å; E197-R221 IonicContact OE1-NH1 2.91Å; E197-R221 PolarHBondContact OE1-NH1 2.65Å; E197-R221 WeakPolarHBondContact OE2-CD 3.43Å; E197-R221 IonicContact OE2-CZ 3.89Å; E197-R221 IonicContact OE2-NE 3.75Å; E197-R221 IonicContact OE2-NH1 2.88Å; E197-R221 PolarHBondContact OE2-NH1 3.02Å
198	N	94.5	Very high	91.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.	S	Bend	trans	-114.1	135.7	174.7	-84.1	-80.3	0	0	0	110.4	L171 N174 K175 L176 I195 G196 V200 M222	L171-N198 PolarHBondContact O-ND2 3.14Å; N174-N198 VanDerWaalsContact CA-OD1 3.3Å; N174-N198 WeakPolarHBondContact CA-OD1 3.22Å; N174-N198 WeakPolarHBondContact CB-OD1 3.46Å; N174-N198 PolarHBondContact N-OD1 3.05Å; K175-N198 PolarHBondContact N-OD1 2.8Å; L176-N198 HydrophobicContact CB-CB 4.14Å; L176-N198 WeakPolarHBondContact CB-OD1 3.49Å; L176-N198 WeakPolarHBondContact CG-OD1 3.37Å; L176-N198 PolarHBondContact N-OD1 2.8Å; I195-N198 PolarHBondContact O-ND2 3.09Å; G196-N198 PolarHBondContact O-N 3.25Å; G196-N198 VanDerWaalsContact O-N 3.13Å; G196-N198 PolarHBondContact O-ND2 2.91Å; G196-N198 VanDerWaalsContact O-ND2 3.12Å; N198-V200 HydrophobicContact CB-CG2 4.06Å; N198-V200 PolarHBondContact O-N 3.19Å; N198-M222 HydrophobicContact CB-CE 4.36Å; N198-M222 CarbonylContact O-C 3.59Å; N198-M222 WeakPolarHBondContact O-CA 3.2Å
199	P	91.9	Very high	91.8	Very high	61 Å²	61	42.3 Å²	42.3	40%	0.396	21%	0.211	S	C	.	.			trans	-76.5	58.7	-176.5	34.3	-38.3	0	0	0	113.1	L176 K177	L176-P199 CarbonylContact O-C 3.45Å; L176-P199 VanDerWaalsContact O-C 3.26Å; L176-P199 VanDerWaalsContact O-CD 3.28Å; L176-P199 WeakPolarHBondContact O-CD 3.19Å; K177-P199 WeakPolarHBondContact CA-O 3.49Å
200	V	91.4	Very high	91.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	20%	0.203	C	C	.	.			trans	-79.3	125.4	-176.1	174.3	0	0	0	0	110.8	L176 K177 I179 N198 S202 M222 L224	L176-V200 HydrophobicContact CB-CG2 4.44Å; L176-V200 WeakPolarHBondContact O-CG2 3.42Å; L176-V200 PolarHBondContact O-N 3.32Å; K177-V200 WeakPolarHBondContact O-CA 3.34Å; I179-V200 HydrophobicContact CG1-CG1 4.24Å; I179-V200 HydrophobicContact CG1-CG2 4.17Å; N198-V200 HydrophobicContact CB-CG2 4.06Å; N198-V200 PolarHBondContact O-N 3.19Å; V200-S202 WeakPolarHBondContact CG1-O 3.33Å; V200-S202 PolarHBondContact O-N 3.15Å; V200-M222 HydrophobicContact CB-CE 3.65Å; V200-M222 HydrophobicContact CG1-CE 4.28Å; V200-M222 HydrophobicContact CG2-CE 3.37Å; V200-M222 PolarHBondContact N-O 3.12Å; V200-L224 HydrophobicContact CB-CD2 4.36Å; V200-L224 HydrophobicContact CG1-CD2 4.04Å
201	L	85.5	Confident	91.7	Very high	125 Å²	125	40.5 Å²	40.5	65%	0.654	20%	0.203	S	C	*	.			trans	-71.3	-33.2	-173.9	-62.1	174.3	0	0	0	113.2	K177	K177-L201 PolarHBondContact O-N 2.91Å
202	S	83.4	Confident	91.4	Very high	20 Å²	20	39.2 Å²	39.2	14%	0.14	20%	0.204	C	C	.	.			trans	-170	152	-178.6	50.8	0	0	0	0	111	V200 Y204	V200-S202 WeakPolarHBondContact CG1-O 3.33Å; V200-S202 PolarHBondContact O-N 3.15Å; S202-Y204 PolarHBondContact OG-OH 2.84Å
203	I	88.1	Confident	91.3	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.211	C	C	.	.			trans	-100.4	147.1	164	-65.3	172.4	0	0	0	107.7	I179 N207 F208 L219 L224 L227 P228 A231	I179-I203 HydrophobicContact CD1-CD1 4.43Å; I179-I203 HydrophobicContact CD1-CG1 4.31Å; I203-N207 HydrophobicContact CG2-CB 3.77Å; I203-F208 HydrophobicContact CD1-CE2 4.12Å; I203-F208 HydrophobicContact CD1-CZ 4.06Å; I203-F208 HydrophobicContact CG2-CE2 3.88Å; I203-F208 HydrophobicContact CG2-CZ 4.39Å; I203-L219 HydrophobicContact CD1-CD1 3.94Å; I203-L219 HydrophobicContact CD1-CD2 4.13Å; I203-L224 HydrophobicContact CD1-CD1 3.64Å; I203-L224 HydrophobicContact CD1-CD2 4.28Å; I203-L224 HydrophobicContact CG1-CD1 4.28Å; I203-L224 HydrophobicContact CG1-CD2 3.99Å; I203-L227 HydrophobicContact CB-CD1 4Å; I203-L227 HydrophobicContact CD1-CD1 3.96Å; I203-L227 HydrophobicContact CG2-CD1 3.84Å; I203-P228 WeakPolarHBondContact O-CD 3.48Å; I203-P228 VanDerWaalsContact O-CG 3.24Å; I203-P228 WeakPolarHBondContact O-CG 3.26Å; I203-A231 HydrophobicContact CG2-CB 3.9Å
204	Y	87.6	Confident	91.1	Very high	127 Å²	127	40.5 Å²	40.5	50%	0.498	21%	0.211	S	C	.	.			trans	-106.6	168.2	-178.3	-59.1	-70.4	0	0	0	112.5	V178 S202 N207	V178-Y204 HydrophobicContact CG1-CE2 4.22Å; S202-Y204 PolarHBondContact OG-OH 2.84Å; Y204-N207 PolarHBondContact N-OD1 3.36Å; Y204-N207 WeakPolarHBondContact O-CB 3.3Å; Y204-N207 PolarHBondContact O-N 2.8Å
205	D	85.9	Confident	90.8	Very high	90 Å²	90	42 Å²	42	48%	0.481	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	140.4	172.7	-72.1	-61.5	0	0	0	111.8	N207 P228 N230	D205-N207 PolarHBondContact O-N 3.03Å; D205-N207 VanDerWaalsContact O-N 3.14Å; D205-P228 WeakPolarHBondContact OD1-CB 3.24Å; D205-N230 HydrophobicContact CB-CB 4.22Å; D205-N230 VanDerWaalsContact OD1-CB 3.25Å; D205-N230 WeakPolarHBondContact OD1-CB 3.44Å; D205-N230 PolarHBondContact OD1-N 3.35Å; D205-N230 PolarHBondContact OD1-ND2 3.15Å
206	L	88	Confident	90.7	Very high	55 Å²	55	43.3 Å²	43.3	29%	0.288	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	20	178.7	-45.4	-179.2	0	0	0	114.6	F208 K209 N230 T233	L206-F208 PolarHBondContact O-N 3.15Å; L206-F208 VanDerWaalsContact O-N 3.14Å; L206-K209 HydrophobicContact CB-CB 4.01Å; L206-K209 HydrophobicContact CB-CD 4.18Å; L206-K209 HydrophobicContact CD1-CD 4.13Å; L206-K209 HydrophobicContact CD2-CD 4.21Å; L206-K209 HydrophobicContact CG-CD 4.41Å; L206-K209 VanDerWaalsContact O-CB 3.29Å; L206-K209 WeakPolarHBondContact O-CB 3.37Å; L206-K209 PolarHBondContact O-N 3Å; L206-K209 VanDerWaalsContact O-N 3.11Å; L206-N230 WeakPolarHBondContact CA-O 3.49Å; L206-N230 HydrophobicContact CD2-CB 3.96Å; L206-N230 PolarHBondContact N-O 2.75Å; L206-T233 HydrophobicContact CD2-CG2 4.15Å
207	N	89.7	Confident	90.8	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.5	-172.2	-134.1	128.3	0	0	0	113.8	I179 R181 F184 I203 Y204 D205	I179-N207 PolarHBondContact O-ND2 3.07Å; I179-N207 PolarHBondContact O-OD1 3.01Å; R181-N207 WeakPolarHBondContact CA-O 3.45Å; F184-N207 WeakPolarHBondContact CD2-O 3.44Å; I203-N207 HydrophobicContact CG2-CB 3.77Å; Y204-N207 PolarHBondContact N-OD1 3.36Å; Y204-N207 WeakPolarHBondContact O-CB 3.3Å; Y204-N207 PolarHBondContact O-N 2.8Å; D205-N207 PolarHBondContact O-N 3.03Å; D205-N207 VanDerWaalsContact O-N 3.14Å
208	F	92.6	Very high	90.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	4.2	-177.4	-54.1	-69.7	0	0	0	113.4	I179 F184 L193 I203 L206 P210 L211 L217 L219 A231 L232 L235	I179-F208 HydrophobicContact CD1-CE1 4.31Å; I179-F208 HydrophobicContact CD1-CZ 4.08Å; I179-F208 HydrophobicContact CG2-CE1 4.17Å; F184-F208 HydrophobicContact CD2-CD1 4.34Å; F184-F208 AromaticContact CE2-CD1 3.69Å; F184-F208 HydrophobicContact CE2-CD1 3.69Å; F184-F208 AromaticContact CE2-CE1 3.94Å; F184-F208 HydrophobicContact CE2-CE1 3.94Å; F184-F208 HydrophobicContact CZ-CD1 4.16Å; F184-F208 HydrophobicContact CZ-CE1 4.14Å; L193-F208 HydrophobicContact CD2-CD1 4.22Å; L193-F208 HydrophobicContact CD2-CE1 4.13Å; I203-F208 HydrophobicContact CD1-CE2 4.12Å; I203-F208 HydrophobicContact CD1-CZ 4.06Å; I203-F208 HydrophobicContact CG2-CE2 3.88Å; I203-F208 HydrophobicContact CG2-CZ 4.39Å; L206-F208 PolarHBondContact O-N 3.15Å; L206-F208 VanDerWaalsContact O-N 3.14Å; F208-P210 VanDerWaalsContact C-N 3.28Å; F208-P210 WeakPolarHBondContact O-CD 3.48Å; F208-L211 HydrophobicContact CB-CD1 4.29Å; F208-L211 HydrophobicContact CD1-CD1 4.16Å; F208-L211 WeakPolarHBondContact O-CB 3.23Å; F208-L211 PolarHBondContact O-N 2.84Å; F208-L217 HydrophobicContact CD2-CD2 4.21Å; F208-L217 HydrophobicContact CE1-CD1 4.36Å; F208-L217 HydrophobicContact CE2-CD2 4.25Å; F208-L219 HydrophobicContact CE2-CD1 4.39Å; F208-L219 HydrophobicContact CZ-CD2 3.85Å; F208-A231 WeakPolarHBondContact CD2-O 3.3Å; F208-L232 HydrophobicContact CD2-CD2 4.29Å; F208-L235 HydrophobicContact CB-CD1 4.05Å; F208-L235 HydrophobicContact CB-CD2 3.88Å; F208-L235 HydrophobicContact CB-CG 4.2Å
209	K	91.3	Very high	90.4	Very high	111 Å²	111	40.6 Å²	40.6	48%	0.483	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.7	-176.4	-178.9	167.9	-178.3	165.4	0	116.3	L206 L211 T233	L206-K209 HydrophobicContact CB-CB 4.01Å; L206-K209 HydrophobicContact CB-CD 4.18Å; L206-K209 HydrophobicContact CD1-CD 4.13Å; L206-K209 HydrophobicContact CD2-CD 4.21Å; L206-K209 HydrophobicContact CG-CD 4.41Å; L206-K209 VanDerWaalsContact O-CB 3.29Å; L206-K209 WeakPolarHBondContact O-CB 3.37Å; L206-K209 PolarHBondContact O-N 3Å; L206-K209 VanDerWaalsContact O-N 3.11Å; K209-L211 PolarHBondContact O-N 3.01Å; K209-T233 WeakPolarHBondContact CB-O 3.46Å
210	P	93.8	Very high	90.2	Very high	30 Å²	30	38.2 Å²	38.2	20%	0.195	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.9	174.1	-23.4	35.7	0	0	0	114.7	F184 E185 F208 G212	F184-P210 HydrophobicContact CB-CB 4.03Å; F184-P210 HydrophobicContact CB-CG 4.15Å; E185-P210 HydrophobicContact CG-CB 4.12Å; E185-P210 HydrophobicContact CG-CG 3.63Å; F208-P210 VanDerWaalsContact C-N 3.28Å; F208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-G212 VanDerWaalsContact C-N 3.3Å; P210-G212 PolarHBondContact O-N 2.92Å; P210-G212 VanDerWaalsContact O-N 3.1Å
211	L	94	Very high	89.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.			trans	-88.8	53.5	-170.2	-55.9	177.1	0	0	0	112.4	F184 L190 L193 F208 K209 N213 L214 L235	F184-L211 HydrophobicContact CB-CD1 4.34Å; F184-L211 HydrophobicContact CB-CD2 3.66Å; F184-L211 HydrophobicContact CB-CG 3.89Å; F184-L211 HydrophobicContact CD1-CD1 3.95Å; F184-L211 HydrophobicContact CD1-CD2 4.06Å; F184-L211 HydrophobicContact CD1-CG 4.36Å; F184-L211 HydrophobicContact CD2-CD1 4.17Å; F184-L211 HydrophobicContact CE1-CD1 4.3Å; F184-L211 HydrophobicContact CE2-CD1 4.49Å; F184-L211 HydrophobicContact CG-CD1 3.89Å; F184-L211 HydrophobicContact CG-CD2 4Å; F184-L211 HydrophobicContact CG-CG 4.01Å; L190-L211 HydrophobicContact CB-CD2 4.02Å; L190-L211 HydrophobicContact CD2-CD1 4.44Å; L190-L211 HydrophobicContact CD2-CD2 3.91Å; L193-L211 HydrophobicContact CD2-CD1 3.84Å; F208-L211 HydrophobicContact CB-CD1 4.29Å; F208-L211 HydrophobicContact CD1-CD1 4.16Å; F208-L211 WeakPolarHBondContact O-CB 3.23Å; F208-L211 PolarHBondContact O-N 2.84Å; K209-L211 PolarHBondContact O-N 3.01Å; L211-N213 PolarHBondContact O-N 2.91Å; L211-N213 VanDerWaalsContact O-N 3.12Å; L211-L214 HydrophobicContact CB-CB 4.04Å; L211-L214 HydrophobicContact CB-CD2 4.37Å; L211-L214 HydrophobicContact CD1-CD1 4.41Å; L211-L214 HydrophobicContact CD1-CD2 4.11Å; L211-L214 VanDerWaalsContact O-CB 3.27Å; L211-L214 WeakPolarHBondContact O-CB 3.28Å; L211-L214 PolarHBondContact O-N 2.93Å; L211-L235 HydrophobicContact CB-CD2 3.95Å; L211-L235 WeakPolarHBondContact O-CD2 3.44Å
212	G	90.1	Very high	89.9	Confident	26 Å²	26	37.9 Å²	37.9	27%	0.268	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.9	-174.5	0	0	0	0	0	115.3	P210 G234 N237	P210-G212 VanDerWaalsContact C-N 3.3Å; P210-G212 PolarHBondContact O-N 2.92Å; P210-G212 VanDerWaalsContact O-N 3.1Å; G212-G234 WeakPolarHBondContact CA-O 3.24Å; G212-N237 PolarHBondContact O-ND2 3.35Å
213	N	93.3	Very high	89.9	Confident	67 Å²	67	42 Å²	42	36%	0.358	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4.5	179.4	-67.5	-9.9	0	0	0	113.8	N189 L190 L211 R215	N189-N213 PolarHBondContact OD1-ND2 3.31Å; L190-N213 CarbonylContact O-C 3.25Å; L211-N213 PolarHBondContact O-N 2.91Å; L211-N213 VanDerWaalsContact O-N 3.12Å; N213-R215 PolarHBondContact O-N 2.03Å
214	L	94.6	Very high	89.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.			trans	-66.4	123	-173.8	-160.2	72.8	0	0	0	111.7	L190 L193 L211 L217 L235 N237 L238	L190-L214 HydrophobicContact CD2-CD1 4.25Å; L190-L214 HydrophobicContact CG-CD1 4.32Å; L190-L214 WeakPolarHBondContact O-CA 3.24Å; L190-L214 PolarHBondContact O-N 2.7Å; L193-L214 HydrophobicContact CB-CD1 3.89Å; L211-L214 HydrophobicContact CB-CB 4.04Å; L211-L214 HydrophobicContact CB-CD2 4.37Å; L211-L214 HydrophobicContact CD1-CD1 4.41Å; L211-L214 HydrophobicContact CD1-CD2 4.11Å; L211-L214 VanDerWaalsContact O-CB 3.27Å; L211-L214 WeakPolarHBondContact O-CB 3.28Å; L211-L214 PolarHBondContact O-N 2.93Å; L214-L217 HydrophobicContact CD2-CB 3.89Å; L214-L217 HydrophobicContact CD2-CD1 4.17Å; L214-L217 HydrophobicContact CD2-CD2 4.34Å; L214-L217 HydrophobicContact CD2-CG 4.35Å; L214-L235 HydrophobicContact CB-CD2 3.99Å; L214-L235 HydrophobicContact CD2-CD1 4.35Å; L214-L235 HydrophobicContact CD2-CD2 3.82Å; L214-N237 CarbonylContact O-C 3.57Å; L214-N237 VanDerWaalsContact O-C 3.29Å; L214-L238 HydrophobicContact CD2-CD1 4.29Å; L214-L238 HydrophobicContact CG-CD1 4.33Å; L214-L238 VanDerWaalsContact O-CA 3.31Å; L214-L238 WeakPolarHBondContact O-CA 3.28Å; L214-L238 PolarHBondContact O-N 2.85Å
215	R	90.9	Very high	88.8	Confident	87 Å²	87	38.7 Å²	38.7	33%	0.328	20%	0.201	S	C	.	.			trans	-96.5	-34.6	174.1	-61	-174.5	-168.4	-69.1	-19.9	112.5	E191 N213 E239 S240	E191-R215 HydrophobicContact CB-CG 4.27Å; E191-R215 HydrophobicContact CG-CG 4.49Å; E191-R215 WeakPolarHBondContact O-CA 3.46Å; E191-R215 PolarHBondContact O-N 2.79Å; E191-R215 IonicContact OE1-CZ 3.64Å; E191-R215 VanDerWaalsContact OE1-CZ 3.22Å; E191-R215 IonicContact OE1-NE 2.84Å; E191-R215 PolarHBondContact OE1-NE 3.1Å; E191-R215 IonicContact OE1-NH2 3.71Å; E191-R215 PolarHBondContact OE1-NH2 2.96Å; E191-R215 IonicContact OE2-NE 2.77Å; E191-R215 PolarHBondContact OE2-NE 2.86Å; N213-R215 PolarHBondContact O-N 2.03Å; R215-E239 HydrophobicContact CB-CB 4.32Å; R215-E239 HydrophobicContact CB-CG 3.89Å; R215-E239 HydrophobicContact CG-CG 4.08Å; R215-E239 IonicContact CZ-OE1 3.29Å; R215-E239 IonicContact NH1-OE1 2.7Å; R215-E239 PolarHBondContact NH1-OE1 3.09Å; R215-E239 CarbonylContact O-C 3.21Å; R215-E239 WeakPolarHBondContact O-CA 3.45Å; R215-E239 WeakPolarHBondContact O-CB 3.42Å; R215-E239 PolarHBondContact O-N 2.83Å; R215-S240 PolarHBondContact O-N 3.43Å
216	S	93.4	Very high	88.1	Confident	26 Å²	26	39.9 Å²	39.9	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.4	-173.4	-175.8	0	0	0	0	112.1	E191 L193 S240	E191-S216 PolarHBondContact O-N 3.47Å; L193-S216 PolarHBondContact N-O 3.48Å; S216-S240 WeakPolarHBondContact CA-O 3.46Å
217	L	93.3	Very high	87.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115	-179.7	-179.8	56.9	0	0	0	111.2	L193 F208 L214 L219 L232 L235 L238 S240 I241 S242	L193-L217 HydrophobicContact CB-CD1 4.22Å; L193-L217 HydrophobicContact CD2-CD1 3.97Å; L193-L217 HydrophobicContact CG-CD1 4.2Å; F208-L217 HydrophobicContact CD2-CD2 4.21Å; F208-L217 HydrophobicContact CE1-CD1 4.36Å; F208-L217 HydrophobicContact CE2-CD2 4.25Å; L214-L217 HydrophobicContact CD2-CB 3.89Å; L214-L217 HydrophobicContact CD2-CD1 4.17Å; L214-L217 HydrophobicContact CD2-CD2 4.34Å; L214-L217 HydrophobicContact CD2-CG 4.35Å; L217-L219 HydrophobicContact CD1-CD2 3.92Å; L217-L219 HydrophobicContact CD1-CG 4.17Å; L217-L219 HydrophobicContact CD2-CD1 4.17Å; L217-L219 HydrophobicContact CD2-CG 4.41Å; L217-L219 HydrophobicContact CG-CD1 4.27Å; L217-L219 HydrophobicContact CG-CD2 4.29Å; L217-L219 HydrophobicContact CG-CG 3.99Å; L217-L232 HydrophobicContact CD2-CD2 3.93Å; L217-L235 HydrophobicContact CD2-CD1 3.68Å; L217-L238 HydrophobicContact CB-CD1 3.92Å; L217-S240 PolarHBondContact N-O 3.3Å; L217-S240 VanDerWaalsContact N-O 3.09Å; L217-I241 HydrophobicContact CB-CG1 4.48Å; L217-S242 PolarHBondContact O-N 3.06Å; L217-S242 VanDerWaalsContact O-N 3.07Å
218	V	90.5	Very high	86.8	Confident	19 Å²	19	39 Å²	39	12%	0.115	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107.6	-178.7	-174.7	0	0	0	0	110.4	L193 M194 I195 G196 T220	L193-V218 PolarHBondContact O-N 3.42Å; M194-V218 HydrophobicContact CB-CB 4.49Å; M194-V218 HydrophobicContact CE-CB 4.44Å; M194-V218 HydrophobicContact CE-CG1 4.34Å; M194-V218 HydrophobicContact CE-CG2 4.26Å; M194-V218 HydrophobicContact CG-CB 4.22Å; M194-V218 HydrophobicContact CG-CG2 4.11Å; I195-V218 PolarHBondContact N-O 3.46Å; I195-V218 VanDerWaalsContact N-O 3.08Å; G196-V218 PolarHBondContact N-O 3.1Å; G196-V218 VanDerWaalsContact N-O 3.09Å; V218-T220 HydrophobicContact CG1-CG2 3.83Å; V218-T220 WeakPolarHBondContact CG1-OG1 3Å
219	L	89.6	Confident	85.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.			trans	-111.7	23.7	-178.3	-59.6	177	0	0	0	112.5	I195 I203 F208 L217 M222 S242 F243 N246	I195-L219 HydrophobicContact CG2-CD2 3.62Å; I203-L219 HydrophobicContact CD1-CD1 3.94Å; I203-L219 HydrophobicContact CD1-CD2 4.13Å; F208-L219 HydrophobicContact CE2-CD1 4.39Å; F208-L219 HydrophobicContact CZ-CD2 3.85Å; L217-L219 HydrophobicContact CD1-CD2 3.92Å; L217-L219 HydrophobicContact CD1-CG 4.17Å; L217-L219 HydrophobicContact CD2-CD1 4.17Å; L217-L219 HydrophobicContact CD2-CG 4.41Å; L217-L219 HydrophobicContact CG-CD1 4.27Å; L217-L219 HydrophobicContact CG-CD2 4.29Å; L217-L219 HydrophobicContact CG-CG 3.99Å; L219-M222 WeakPolarHBondContact CA-SD 3.34Å; L219-M222 HydrophobicContact CB-SD 3.85Å; L219-M222 HydrophobicContact CD2-SD 3.85Å; L219-M222 HydrophobicContact CG-SD 4.49Å; L219-M222 WeakPolarHBondContact O-CG 3.43Å; L219-S242 PolarHBondContact N-O 3.44Å; L219-F243 HydrophobicContact CB-CB 4.39Å; L219-N246 PolarHBondContact O-ND2 2.9Å
220	T	86.8	Confident	84.9	Confident	11 Å²	11	40 Å²	40	7%	0.067	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	147.8	-170	53.3	0	0	0	0	112.7	G196 E197 V218 M222 Y244	G196-T220 CarbonylContact C-O 3.52Å; G196-T220 WeakPolarHBondContact CA-O 3.49Å; E197-T220 PolarHBondContact N-O 3.35Å; V218-T220 HydrophobicContact CG1-CG2 3.83Å; V218-T220 WeakPolarHBondContact CG1-OG1 3Å; T220-M222 VanDerWaalsContact C-N 3.26Å; T220-M222 WeakPolarHBondContact O-CG 3.32Å; T220-M222 PolarHBondContact O-N 3.1Å; T220-M222 VanDerWaalsContact O-N 3.16Å; T220-Y244 CarbonylContact C-O 3.56Å; T220-Y244 VanDerWaalsContact CA-O 3.25Å; T220-Y244 WeakPolarHBondContact CA-O 3.24Å; T220-Y244 HydrophobicContact CG2-CD1 3.56Å; T220-Y244 HydrophobicContact CG2-CD2 4.04Å; T220-Y244 HydrophobicContact CG2-CE1 3.37Å; T220-Y244 HydrophobicContact CG2-CE2 3.87Å; T220-Y244 HydrophobicContact CG2-CG 3.87Å
221	R	85.8	Confident	84.2	Confident	121 Å²	121	38.5 Å²	38.5	46%	0.457	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	40	174.2	-160.7	-178.8	-67.1	155.3	0.6	114.2	E197 Y244 D245	E197-R221 WeakPolarHBondContact CA-O 3.45Å; E197-R221 HydrophobicContact CG-CB 4.16Å; E197-R221 IonicContact OE1-NH1 2.91Å; E197-R221 PolarHBondContact OE1-NH1 2.65Å; E197-R221 WeakPolarHBondContact OE2-CD 3.43Å; E197-R221 IonicContact OE2-CZ 3.89Å; E197-R221 IonicContact OE2-NE 3.75Å; E197-R221 IonicContact OE2-NH1 2.88Å; E197-R221 PolarHBondContact OE2-NH1 3.02Å; R221-Y244 PolarHBondContact N-O 3.43Å; R221-D245 WeakPolarHBondContact CA-O 3.04Å; R221-D245 HydrophobicContact CB-CB 3.64Å; R221-D245 HydrophobicContact CG-CB 4.05Å; R221-D245 IonicContact CZ-OD2 2.67Å; R221-D245 VanDerWaalsContact CZ-OD2 3.29Å; R221-D245 IonicContact NE-OD2 3.79Å; R221-D245 PolarHBondContact NE-OD2 3.37Å; R221-D245 IonicContact NH2-OD2 2.79Å; R221-D245 PolarHBondContact NH2-OD2 3.1Å
222	M	85.8	Confident	83.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.			trans	-95.5	-0.3	-179.2	-65	-176.1	74	0	0	113.9	I179 I195 N198 V200 L219 T220 L224 N246	I179-M222 HydrophobicContact CD1-CE 3.77Å; I195-M222 HydrophobicContact CG2-CE 4.31Å; I195-M222 HydrophobicContact CG2-SD 4.28Å; N198-M222 HydrophobicContact CB-CE 4.36Å; N198-M222 CarbonylContact O-C 3.59Å; N198-M222 WeakPolarHBondContact O-CA 3.2Å; V200-M222 HydrophobicContact CB-CE 3.65Å; V200-M222 HydrophobicContact CG1-CE 4.28Å; V200-M222 HydrophobicContact CG2-CE 3.37Å; V200-M222 PolarHBondContact N-O 3.12Å; L219-M222 WeakPolarHBondContact CA-SD 3.34Å; L219-M222 HydrophobicContact CB-SD 3.85Å; L219-M222 HydrophobicContact CD2-SD 3.85Å; L219-M222 HydrophobicContact CG-SD 4.49Å; L219-M222 WeakPolarHBondContact O-CG 3.43Å; T220-M222 VanDerWaalsContact C-N 3.26Å; T220-M222 WeakPolarHBondContact O-CG 3.32Å; T220-M222 PolarHBondContact O-N 3.1Å; T220-M222 VanDerWaalsContact O-N 3.16Å; M222-L224 HydrophobicContact CB-CD1 3.77Å; M222-L224 HydrophobicContact CB-CG 3.71Å; M222-L224 PolarHBondContact O-N 2.8Å; M222-L224 HydrophobicContact SD-CD1 4.15Å; M222-N246 VanDerWaalsContact C-OD1 3.32Å; M222-N246 VanDerWaalsContact CA-OD1 3.29Å; M222-N246 WeakPolarHBondContact CA-OD1 3.34Å; M222-N246 WeakPolarHBondContact CB-OD1 3.45Å; M222-N246 PolarHBondContact N-OD1 2.81Å
223	N	82.1	Confident	83.4	Confident	105 Å²	105	41.8 Å²	41.8	56%	0.561	22%	0.216	S	C	*	.			trans	59.6	24.1	-174.4	-156.4	105.4	0	0	0	113.1	N246 I247	N223-N246 PolarHBondContact N-OD1 2.82Å; N223-I247 WeakPolarHBondContact OD1-CD1 3.5Å
224	L	80.3	Confident	82.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.			trans	-68.4	139.6	-179.1	-66.9	165.1	0	0	0	111.1	V200 I203 M222 N246 I247 F248	V200-L224 HydrophobicContact CB-CD2 4.36Å; V200-L224 HydrophobicContact CG1-CD2 4.04Å; I203-L224 HydrophobicContact CD1-CD1 3.64Å; I203-L224 HydrophobicContact CD1-CD2 4.28Å; I203-L224 HydrophobicContact CG1-CD1 4.28Å; I203-L224 HydrophobicContact CG1-CD2 3.99Å; M222-L224 HydrophobicContact CB-CD1 3.77Å; M222-L224 HydrophobicContact CB-CG 3.71Å; M222-L224 PolarHBondContact O-N 2.8Å; M222-L224 HydrophobicContact SD-CD1 4.15Å; L224-N246 HydrophobicContact CB-CB 4.43Å; L224-N246 PolarHBondContact N-OD1 2.9Å; L224-I247 CarbonylContact O-C 3.48Å; L224-I247 WeakPolarHBondContact O-CA 3.47Å; L224-I247 PolarHBondContact O-N 2.9Å; L224-F248 HydrophobicContact CB-CD1 4.29Å; L224-F248 HydrophobicContact CB-CE1 3.49Å; L224-F248 VanDerWaalsContact CB-CE1 3.49Å; L224-F248 HydrophobicContact CB-CE2 4.46Å; L224-F248 HydrophobicContact CB-CZ 3.6Å; L224-F248 HydrophobicContact CD1-CE1 4.36Å; L224-F248 HydrophobicContact CD1-CZ 3.84Å; L224-F248 HydrophobicContact CG-CZ 4.38Å; L224-F248 PolarHBondContact O-N 2.76Å
225	S	72.9	Confident	82.4	Confident	60 Å²	60	40 Å²	40	42%	0.42	21%	0.209	S	C	.	.	S	Bend	trans	-113	1.6	-179.3	60.8	0	0	0	0	114.7	I247 P249	S225-I247 WeakPolarHBondContact CA-O 3.36Å; S225-P249 WeakPolarHBondContact O-CD 3.41Å; S225-P249 WeakPolarHBondContact O-CG 3.21Å
226	Q	71.1	Confident	81.9	Confident	115 Å²	115	41.8 Å²	41.8	54%	0.537	23%	0.226	S	C	.	.			trans	-170.5	152.6	170.9	55	-174.6	6.5	0	0	108.5
227	L	76.4	Confident	81.5	Confident	11 Å²	11	43.7 Å²	43.7	6%	0.058	23%	0.234	C	C	.	.			trans	-124.8	116.8	166.9	179.5	60.8	0	0	0	106	I203 A231 L232 F248 P252	I203-L227 HydrophobicContact CB-CD1 4Å; I203-L227 HydrophobicContact CD1-CD1 3.96Å; I203-L227 HydrophobicContact CG2-CD1 3.84Å; L227-A231 HydrophobicContact CD1-CB 3.45Å; L227-A231 VanDerWaalsContact CD1-CB 3.45Å; L227-A231 HydrophobicContact CG-CB 4.09Å; L227-L232 HydrophobicContact CD2-CD1 4.22Å; L227-L232 HydrophobicContact CD2-CD2 4.37Å; L227-L232 HydrophobicContact CD2-CG 4.3Å; L227-F248 HydrophobicContact CB-CE1 3.95Å; L227-F248 HydrophobicContact CB-CZ 4.43Å; L227-P252 HydrophobicContact CB-CG 4.35Å; L227-P252 HydrophobicContact CD2-CG 3.94Å; L227-P252 HydrophobicContact CG-CG 4.11Å; L227-P252 WeakPolarHBondContact O-CB 3.39Å
228	P	73.9	Confident	81.1	Confident	30 Å²	30	44.6 Å²	44.6	20%	0.195	24%	0.239	C	C	.	.			trans	-61.6	148.2	-177.8	-27.3	34.3	0	0	0	113.6	I203 D205 N230 A231	I203-P228 WeakPolarHBondContact O-CD 3.48Å; I203-P228 VanDerWaalsContact O-CG 3.24Å; I203-P228 WeakPolarHBondContact O-CG 3.26Å; D205-P228 WeakPolarHBondContact OD1-CB 3.24Å; P228-N230 PolarHBondContact O-N 2.99Å; P228-A231 HydrophobicContact CB-CB 4.23Å; P228-A231 HydrophobicContact CG-CB 4.48Å; P228-A231 WeakPolarHBondContact O-CB 3.19Å; P228-A231 PolarHBondContact O-N 2.89Å
229	D	66.1	Low	80.9	Confident	50 Å²	50	45.7 Å²	45.7	27%	0.267	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-31.3	179.3	-71.1	14.9	0	0	0	113.7	H253 S254	D229-H253 WeakPolarHBondContact OD1-CA 3.33Å; D229-H253 PolarHBondContact OD1-N 3.06Å; D229-H253 IonicContact OD2-ND1 3.71Å; D229-S254 PolarHBondContact OD1-N 3.36Å; D229-S254 VanDerWaalsContact OD1-N 3.13Å; D229-S254 PolarHBondContact OD2-N 2.75Å; D229-S254 PolarHBondContact OD2-OG 2.95Å
230	N	77.3	Confident	80.8	Confident	81 Å²	81	46.7 Å²	46.7	43%	0.433	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	10.5	177.5	-39.5	-93.7	0	0	0	113.7	D205 L206 P228 L232 T233	D205-N230 HydrophobicContact CB-CB 4.22Å; D205-N230 VanDerWaalsContact OD1-CB 3.25Å; D205-N230 WeakPolarHBondContact OD1-CB 3.44Å; D205-N230 PolarHBondContact OD1-N 3.35Å; D205-N230 PolarHBondContact OD1-ND2 3.15Å; L206-N230 WeakPolarHBondContact CA-O 3.49Å; L206-N230 HydrophobicContact CD2-CB 3.96Å; L206-N230 PolarHBondContact N-O 2.75Å; P228-N230 PolarHBondContact O-N 2.99Å; N230-L232 VanDerWaalsContact C-N 3.33Å; N230-L232 PolarHBondContact O-N 2.89Å; N230-T233 VanDerWaalsContact CA-OG1 3.27Å; N230-T233 WeakPolarHBondContact CA-OG1 3.17Å; N230-T233 PolarHBondContact O-N 3.1Å; N230-T233 PolarHBondContact O-OG1 3.04Å
231	A	80.2	Confident	80.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-36	-176.3	0	0	0	0	0	113.1	I203 F208 L227 P228	I203-A231 HydrophobicContact CG2-CB 3.9Å; F208-A231 WeakPolarHBondContact CD2-O 3.3Å; L227-A231 HydrophobicContact CD1-CB 3.45Å; L227-A231 VanDerWaalsContact CD1-CB 3.45Å; L227-A231 HydrophobicContact CG-CB 4.09Å; P228-A231 HydrophobicContact CB-CB 4.23Å; P228-A231 HydrophobicContact CG-CB 4.48Å; P228-A231 WeakPolarHBondContact O-CB 3.19Å; P228-A231 PolarHBondContact O-N 2.89Å
232	L	84.1	Confident	80.7	Confident	32 Å²	32	41.7 Å²	41.7	17%	0.168	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.3	-179.5	-56.1	179.3	0	0	0	113.5	F208 L217 L227 N230 G234 L235 I241 M269	F208-L232 HydrophobicContact CD2-CD2 4.29Å; L217-L232 HydrophobicContact CD2-CD2 3.93Å; L227-L232 HydrophobicContact CD2-CD1 4.22Å; L227-L232 HydrophobicContact CD2-CD2 4.37Å; L227-L232 HydrophobicContact CD2-CG 4.3Å; N230-L232 VanDerWaalsContact C-N 3.33Å; N230-L232 PolarHBondContact O-N 2.89Å; L232-G234 PolarHBondContact O-N 2.89Å; L232-L235 HydrophobicContact CB-CD1 4.23Å; L232-L235 HydrophobicContact CD2-CD1 3.91Å; L232-L235 WeakPolarHBondContact O-CB 3.24Å; L232-L235 WeakPolarHBondContact O-CG 3.34Å; L232-L235 PolarHBondContact O-N 3.48Å; L232-I241 HydrophobicContact CD1-CD1 3.68Å; L232-I241 HydrophobicContact CD2-CD1 4.12Å; L232-M269 HydrophobicContact CD1-CE 4.46Å
233	T	83.1	Confident	80.5	Confident	63 Å²	63	42.4 Å²	42.4	39%	0.387	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	124.6	-176	-53.4	0	0	0	0	112.1	L206 K209 N230	L206-T233 HydrophobicContact CD2-CG2 4.15Å; K209-T233 WeakPolarHBondContact CB-O 3.46Å; N230-T233 VanDerWaalsContact CA-OG1 3.27Å; N230-T233 WeakPolarHBondContact CA-OG1 3.17Å; N230-T233 PolarHBondContact O-N 3.1Å; N230-T233 PolarHBondContact O-OG1 3.04Å
234	G	81.4	Confident	80.1	Confident	15 Å²	15	41 Å²	41	16%	0.155	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	0.2	-175.6	0	0	0	0	0	114	G212 L232 D236	G212-G234 WeakPolarHBondContact CA-O 3.24Å; L232-G234 PolarHBondContact O-N 2.89Å; G234-D236 WeakPolarHBondContact CA-OD1 3.36Å; G234-D236 PolarHBondContact O-N 2.66Å; G234-D236 VanDerWaalsContact O-N 3.16Å
235	L	85.7	Confident	79.7	Confident	13 Å²	13	43.3 Å²	43.3	7%	0.068	24%	0.236	C	C	.	.			trans	-85.7	51.2	171.1	-59	-177	0	0	0	111.2	F208 L211 L214 L217 L232 N237 L238	F208-L235 HydrophobicContact CB-CD1 4.05Å; F208-L235 HydrophobicContact CB-CD2 3.88Å; F208-L235 HydrophobicContact CB-CG 4.2Å; L211-L235 HydrophobicContact CB-CD2 3.95Å; L211-L235 WeakPolarHBondContact O-CD2 3.44Å; L214-L235 HydrophobicContact CB-CD2 3.99Å; L214-L235 HydrophobicContact CD2-CD1 4.35Å; L214-L235 HydrophobicContact CD2-CD2 3.82Å; L217-L235 HydrophobicContact CD2-CD1 3.68Å; L232-L235 HydrophobicContact CB-CD1 4.23Å; L232-L235 HydrophobicContact CD2-CD1 3.91Å; L232-L235 WeakPolarHBondContact O-CB 3.24Å; L232-L235 WeakPolarHBondContact O-CG 3.34Å; L232-L235 PolarHBondContact O-N 3.48Å; L235-N237 PolarHBondContact O-N 3.38Å; L235-N237 VanDerWaalsContact O-N 3.08Å; L235-L238 HydrophobicContact CB-CB 4.21Å; L235-L238 HydrophobicContact CB-CD2 4.45Å; L235-L238 HydrophobicContact CD1-CD2 4.26Å; L235-L238 WeakPolarHBondContact O-CB 3.2Å; L235-L238 PolarHBondContact O-N 3.13Å; L235-L238 VanDerWaalsContact O-N 3.11Å
236	D	79.5	Confident	79.9	Confident	125 Å²	125	41 Å²	41	67%	0.668	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.6	-165.2	-54	-17.2	0	0	0	113.4	G234	G234-D236 WeakPolarHBondContact CA-OD1 3.36Å; G234-D236 PolarHBondContact O-N 2.66Å; G234-D236 VanDerWaalsContact O-N 3.16Å
237	N	85.9	Confident	79.8	Confident	66 Å²	66	40.3 Å²	40.3	35%	0.353	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	13.1	178.6	-68.4	-78.5	0	0	0	114	G212 L214 L235 E239	G212-N237 PolarHBondContact O-ND2 3.35Å; L214-N237 CarbonylContact O-C 3.57Å; L214-N237 VanDerWaalsContact O-C 3.29Å; L235-N237 PolarHBondContact O-N 3.38Å; L235-N237 VanDerWaalsContact O-N 3.08Å; N237-E239 WeakPolarHBondContact O-CG 3.29Å; N237-E239 PolarHBondContact O-N 3.15Å
238	L	85.4	Confident	79.1	Confident	20 Å²	20	40.8 Å²	40.8	11%	0.105	22%	0.22	C	C	.	.			trans	-67.7	121	-172	-162.9	67.7	0	0	0	112.6	L214 L217 L235 I241 H271	L214-L238 HydrophobicContact CD2-CD1 4.29Å; L214-L238 HydrophobicContact CG-CD1 4.33Å; L214-L238 VanDerWaalsContact O-CA 3.31Å; L214-L238 WeakPolarHBondContact O-CA 3.28Å; L214-L238 PolarHBondContact O-N 2.85Å; L217-L238 HydrophobicContact CB-CD1 3.92Å; L235-L238 HydrophobicContact CB-CB 4.21Å; L235-L238 HydrophobicContact CB-CD2 4.45Å; L235-L238 HydrophobicContact CD1-CD2 4.26Å; L235-L238 WeakPolarHBondContact O-CB 3.2Å; L235-L238 PolarHBondContact O-N 3.13Å; L235-L238 VanDerWaalsContact O-N 3.11Å; L238-I241 HydrophobicContact CD2-CB 4.05Å; L238-I241 HydrophobicContact CD2-CD1 4.1Å; L238-I241 HydrophobicContact CD2-CG1 4.26Å; L238-H271 CarbonylContact O-C 3.29Å
239	E	86.4	Confident	78	Confident	42 Å²	42	42.6 Å²	42.6	20%	0.196	23%	0.232	C	C	.	.			trans	-104	-27	-177.1	-50.6	-172.2	163.1	0	0	112.9	R215 N237 H271 K273 E274	R215-E239 HydrophobicContact CB-CB 4.32Å; R215-E239 HydrophobicContact CB-CG 3.89Å; R215-E239 HydrophobicContact CG-CG 4.08Å; R215-E239 IonicContact CZ-OE1 3.29Å; R215-E239 IonicContact NH1-OE1 2.7Å; R215-E239 PolarHBondContact NH1-OE1 3.09Å; R215-E239 CarbonylContact O-C 3.21Å; R215-E239 WeakPolarHBondContact O-CA 3.45Å; R215-E239 WeakPolarHBondContact O-CB 3.42Å; R215-E239 PolarHBondContact O-N 2.83Å; N237-E239 WeakPolarHBondContact O-CG 3.29Å; N237-E239 PolarHBondContact O-N 3.15Å; E239-H271 WeakPolarHBondContact CA-O 3.22Å; E239-K273 HydrophobicContact CB-CD 4.09Å; E239-K273 HydrophobicContact CB-CG 4.33Å; E239-K273 WeakPolarHBondContact O-CA 3.39Å; E239-K273 WeakPolarHBondContact O-CB 3.47Å; E239-K273 PolarHBondContact O-N 2.84Å; E239-K273 IonicContact OE1-NZ 3.78Å; E239-K273 PolarHBondContact OE1-NZ 2.77Å; E239-K273 WeakPolarHBondContact OE2-CE 3.42Å; E239-K273 IonicContact OE2-NZ 3.48Å; E239-K273 PolarHBondContact OE2-NZ 3.29Å; E239-E274 PolarHBondContact O-N 2.89Å
240	S	87.1	Confident	77.2	Confident	20 Å²	20	44 Å²	44	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	133	179.3	-176.3	0	0	0	0	110.8	R215 S216 L217	R215-S240 PolarHBondContact O-N 3.43Å; S216-S240 WeakPolarHBondContact CA-O 3.46Å; L217-S240 PolarHBondContact N-O 3.3Å; L217-S240 VanDerWaalsContact N-O 3.09Å
241	I	86.8	Confident	76	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.6	173.6	-159.8	178.2	0	0	0	110.4	L217 L232 L238 F243 L272 L275	L217-I241 HydrophobicContact CB-CG1 4.48Å; L232-I241 HydrophobicContact CD1-CD1 3.68Å; L232-I241 HydrophobicContact CD2-CD1 4.12Å; L238-I241 HydrophobicContact CD2-CB 4.05Å; L238-I241 HydrophobicContact CD2-CD1 4.1Å; L238-I241 HydrophobicContact CD2-CG1 4.26Å; I241-F243 HydrophobicContact CD1-CD1 4.32Å; I241-F243 HydrophobicContact CG1-CD1 4.24Å; I241-F243 HydrophobicContact CG2-CD1 4.33Å; I241-F243 HydrophobicContact CG2-CE1 4.23Å; I241-L272 HydrophobicContact CG2-CD1 4.1Å; I241-L275 HydrophobicContact CG2-CD1 4.35Å
242	S	83.8	Confident	74.4	Confident	25 Å²	25	42.5 Å²	42.5	18%	0.175	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119	178.5	-76.4	0	0	0	0	110.5	L217 L219	L217-S242 PolarHBondContact O-N 3.06Å; L217-S242 VanDerWaalsContact O-N 3.07Å; L219-S242 PolarHBondContact N-O 3.44Å
243	F	81.6	Confident	72.5	Confident	16 Å²	16	46.6 Å²	46.6	7%	0.07	25%	0.248	C	C	.	.			trans	-136	18.3	-174.9	59.6	-99.5	0	0	0	113.8	L219 I241 N246 F248 F266 L275 I277	L219-F243 HydrophobicContact CB-CB 4.39Å; I241-F243 HydrophobicContact CD1-CD1 4.32Å; I241-F243 HydrophobicContact CG1-CD1 4.24Å; I241-F243 HydrophobicContact CG2-CD1 4.33Å; I241-F243 HydrophobicContact CG2-CE1 4.23Å; F243-N246 PolarHBondContact O-ND2 3.04Å; F243-F248 HydrophobicContact CB-CE2 4.03Å; F243-F248 HydrophobicContact CD2-CD2 4.17Å; F243-F248 AromaticContact CD2-CE2 3.96Å; F243-F248 HydrophobicContact CD2-CE2 3.96Å; F243-F248 HydrophobicContact CG-CE2 4.41Å; F243-F248 WeakPolarHBondContact O-CE2 3.31Å; F243-F266 HydrophobicContact CZ-CZ 4.41Å; F243-L275 HydrophobicContact CE1-CD1 4.33Å; F243-I277 HydrophobicContact CE2-CG2 4.26Å; F243-I277 HydrophobicContact CZ-CG2 3.84Å
244	Y	72.1	Confident	70.3	Confident	74 Å²	74	47.8 Å²	47.8	29%	0.29	26%	0.259	S	S	.	.			trans	-65.3	173.5	175.4	65.1	-100.2	0	0	0	113.9	T220 R221 N246 N278	T220-Y244 CarbonylContact C-O 3.56Å; T220-Y244 VanDerWaalsContact CA-O 3.25Å; T220-Y244 WeakPolarHBondContact CA-O 3.24Å; T220-Y244 HydrophobicContact CG2-CD1 3.56Å; T220-Y244 HydrophobicContact CG2-CD2 4.04Å; T220-Y244 HydrophobicContact CG2-CE1 3.37Å; T220-Y244 HydrophobicContact CG2-CE2 3.87Å; T220-Y244 HydrophobicContact CG2-CG 3.87Å; R221-Y244 PolarHBondContact N-O 3.43Å; Y244-N246 PolarHBondContact O-N 3.22Å; Y244-N246 PolarHBondContact O-ND2 3.38Å; Y244-N278 WeakPolarHBondContact CB-O 3.43Å; Y244-N278 HydrophobicContact CD1-CB 4.34Å; Y244-N278 HydrophobicContact CG-CB 4.02Å
245	D	72.9	Confident	67.9	Low	50 Å²	50	50.2 Å²	50.2	27%	0.267	28%	0.278	S	S	.	.	S	Bend	trans	59.4	16.9	-174.9	-76	13.7	0	0	0	114.5	R221 S279	R221-D245 WeakPolarHBondContact CA-O 3.04Å; R221-D245 HydrophobicContact CB-CB 3.64Å; R221-D245 HydrophobicContact CG-CB 4.05Å; R221-D245 IonicContact CZ-OD2 2.67Å; R221-D245 VanDerWaalsContact CZ-OD2 3.29Å; R221-D245 IonicContact NE-OD2 3.79Å; R221-D245 PolarHBondContact NE-OD2 3.37Å; R221-D245 IonicContact NH2-OD2 2.79Å; R221-D245 PolarHBondContact NH2-OD2 3.1Å; D245-S279 WeakPolarHBondContact OD1-CB 3.41Å; D245-S279 PolarHBondContact OD1-OG 3.02Å
246	N	76.6	Confident	65.5	Low	12 Å²	12	55.8 Å²	55.8	6%	0.064	31%	0.307	C	S	.	.	S	Bend	trans	-99.2	163.6	174.7	-78	-66.9	0	0	0	112.4	L219 M222 N223 L224 F243 Y244 F248	L219-N246 PolarHBondContact O-ND2 2.9Å; M222-N246 VanDerWaalsContact C-OD1 3.32Å; M222-N246 VanDerWaalsContact CA-OD1 3.29Å; M222-N246 WeakPolarHBondContact CA-OD1 3.34Å; M222-N246 WeakPolarHBondContact CB-OD1 3.45Å; M222-N246 PolarHBondContact N-OD1 2.81Å; N223-N246 PolarHBondContact N-OD1 2.82Å; L224-N246 HydrophobicContact CB-CB 4.43Å; L224-N246 PolarHBondContact N-OD1 2.9Å; F243-N246 PolarHBondContact O-ND2 3.04Å; Y244-N246 PolarHBondContact O-N 3.22Å; Y244-N246 PolarHBondContact O-ND2 3.38Å; N246-F248 VanDerWaalsContact C-N 3.33Å; N246-F248 HydrophobicContact CB-CD2 3.38Å; N246-F248 HydrophobicContact CB-CE2 3.3Å; N246-F248 HydrophobicContact CB-CG 4.16Å; N246-F248 HydrophobicContact CB-CZ 4.04Å; N246-F248 PolarHBondContact O-N 3.19Å
247	I	69.9	Low	64	Low	100 Å²	100	53.7 Å²	53.7	51%	0.513	30%	0.301	S	S	.	.			trans	-97.2	48.6	177.9	-39.1	-177.3	0	0	0	110	N223 L224 S225 P249	N223-I247 WeakPolarHBondContact OD1-CD1 3.5Å; L224-I247 CarbonylContact O-C 3.48Å; L224-I247 WeakPolarHBondContact O-CA 3.47Å; L224-I247 PolarHBondContact O-N 2.9Å; S225-I247 WeakPolarHBondContact CA-O 3.36Å; I247-P249 WeakPolarHBondContact O-CD 3.32Å
248	F	61.4	Low	62.7	Low	20 Å²	20	51 Å²	51	9%	0.088	29%	0.286	C	S	.	.			trans	-74.2	120	179.1	-67.4	-64	0	0	0	111.5	L224 L227 F243 N246 I258	L224-F248 HydrophobicContact CB-CD1 4.29Å; L224-F248 HydrophobicContact CB-CE1 3.49Å; L224-F248 VanDerWaalsContact CB-CE1 3.49Å; L224-F248 HydrophobicContact CB-CE2 4.46Å; L224-F248 HydrophobicContact CB-CZ 3.6Å; L224-F248 HydrophobicContact CD1-CE1 4.36Å; L224-F248 HydrophobicContact CD1-CZ 3.84Å; L224-F248 HydrophobicContact CG-CZ 4.38Å; L224-F248 PolarHBondContact O-N 2.76Å; L227-F248 HydrophobicContact CB-CE1 3.95Å; L227-F248 HydrophobicContact CB-CZ 4.43Å; F243-F248 HydrophobicContact CB-CE2 4.03Å; F243-F248 HydrophobicContact CD2-CD2 4.17Å; F243-F248 AromaticContact CD2-CE2 3.96Å; F243-F248 HydrophobicContact CD2-CE2 3.96Å; F243-F248 HydrophobicContact CG-CE2 4.41Å; F243-F248 WeakPolarHBondContact O-CE2 3.31Å; N246-F248 VanDerWaalsContact C-N 3.33Å; N246-F248 HydrophobicContact CB-CD2 3.38Å; N246-F248 HydrophobicContact CB-CE2 3.3Å; N246-F248 HydrophobicContact CB-CG 4.16Å; N246-F248 HydrophobicContact CB-CZ 4.04Å; N246-F248 PolarHBondContact O-N 3.19Å; F248-I258 HydrophobicContact CB-CD1 3.65Å; F248-I258 WeakPolarHBondContact O-CD1 3.47Å
249	P	51.7	Low	62	Low	69 Å²	69	51 Å²	51	45%	0.448	29%	0.288	S	S	.	.	S	Bend	trans	-87.2	-13.8	162.3	34.6	-39.4	0	0	0	114.6	S225 I247 I258	S225-P249 WeakPolarHBondContact O-CD 3.41Å; S225-P249 WeakPolarHBondContact O-CG 3.21Å; I247-P249 WeakPolarHBondContact O-CD 3.32Å; P249-I258 VanDerWaalsContact O-CB 3.3Å; P249-I258 WeakPolarHBondContact O-CB 3.31Å; P249-I258 PolarHBondContact O-N 3.25Å
250	E	47.9	Very low	61.8	Low	79 Å²	79	51.2 Å²	51.2	37%	0.369	29%	0.287	S	S	.	.			trans	-142.3	143.8	173.8	-63.6	-167.9	165.7	0	0	111.3	L256	E250-L256 PolarHBondContact OE1-N 2.9Å
251	V	52.2	Low	61.7	Low	29 Å²	29	50.4 Å²	50.4	18%	0.176	28%	0.281	C	S	.	.			trans	-89.4	146.1	168.4	176.3	0	0	0	0	107.6	H253 I258 D265 M280	V251-H253 PolarHBondContact O-N 2.9Å; V251-I258 HydrophobicContact CG2-CD1 3.75Å; V251-I258 HydrophobicContact CG2-CG1 3.74Å; V251-D265 HydrophobicContact CG1-CB 4.33Å; V251-M280 HydrophobicContact CG2-CE 4.48Å
252	P	47.1	Very low	61.5	Low	20 Å²	20	54 Å²	54	13%	0.13	30%	0.298	C	S	.	.	S	Bend	trans	-63.4	99.2	179.8	24.6	-35.4	0	0	0	112.4	L227	L227-P252 HydrophobicContact CB-CG 4.35Å; L227-P252 HydrophobicContact CD2-CG 3.94Å; L227-P252 HydrophobicContact CG-CG 4.11Å; L227-P252 WeakPolarHBondContact O-CB 3.39Å
253	H	43.9	Very low	61.5	Low	118 Å²	118	61.3 Å²	61.3	55%	0.546	32%	0.321	S	S	.	.	S	Bend	trans	-176.9	65.3	133.9	-94.6	-51.5	0	0	0	110.8	D229 V251	D229-H253 WeakPolarHBondContact OD1-CA 3.33Å; D229-H253 PolarHBondContact OD1-N 3.06Å; D229-H253 IonicContact OD2-ND1 3.71Å; V251-H253 PolarHBondContact O-N 2.9Å
254	S	36.2	Very low	61.2	Low	88 Å²	88	61.8 Å²	61.8	62%	0.615	33%	0.33	S	S	*	.	S	Bend	trans	63.1	99	171.4	-68.1	0	0	0	0	119.2	D229	D229-S254 PolarHBondContact OD1-N 3.36Å; D229-S254 VanDerWaalsContact OD1-N 3.13Å; D229-S254 PolarHBondContact OD2-N 2.75Å; D229-S254 PolarHBondContact OD2-OG 2.95Å
255	A	31.9	Very low	61.3	Low	66 Å²	66	59.1 Å²	59.1	55%	0.545	32%	0.321	S	S	.	.	S	Bend	trans	72.4	132.6	144.8	0	0	0	0	0	121.1
256	L	35.5	Very low	61.5	Low	131 Å²	131	57.1 Å²	57.1	69%	0.686	31%	0.31	S	S	*	.	S	Bend	trans	88.7	144.3	179.3	-58.1	173.6	0	0	0	114	E250	E250-L256 PolarHBondContact OE1-N 2.9Å
257	P	46.8	Very low	61.2	Low	81 Å²	81	60.2 Å²	60.2	53%	0.526	33%	0.329	S	S	.	.			trans	-81.9	152	-138	29.1	-36.9	0	0	0	115.7	S259	P257-S259 PolarHBondContact O-N 3.35Å; P257-S259 PolarHBondContact O-OG 2.68Å
258	I	58.9	Low	61.1	Low	9 Å²	9	61.7 Å²	61.7	5%	0.046	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-3.6	-175.8	-114.9	170.6	0	0	0	117.6	F248 P249 V251 R260 M280 E282	F248-I258 HydrophobicContact CB-CD1 3.65Å; F248-I258 WeakPolarHBondContact O-CD1 3.47Å; P249-I258 VanDerWaalsContact O-CB 3.3Å; P249-I258 WeakPolarHBondContact O-CB 3.31Å; P249-I258 PolarHBondContact O-N 3.25Å; V251-I258 HydrophobicContact CG2-CD1 3.75Å; V251-I258 HydrophobicContact CG2-CG1 3.74Å; I258-R260 PolarHBondContact O-N 3.03Å; I258-M280 HydrophobicContact CD1-CE 3.54Å; I258-M280 HydrophobicContact CG1-CE 4.13Å; I258-E282 HydrophobicContact CG2-CB 3.77Å
259	S	72.2	Confident	61.7	Low	20 Å²	20	63.2 Å²	63.2	14%	0.14	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-40.5	-29	166.6	63.1	0	0	0	0	115	P257 E282 I284 S285	P257-S259 PolarHBondContact O-N 3.35Å; P257-S259 PolarHBondContact O-OG 2.68Å; S259-E282 VanDerWaalsContact CA-O 3.28Å; S259-E282 WeakPolarHBondContact CA-O 3.26Å; S259-I284 CarbonylContact O-C 3.58Å; S259-I284 VanDerWaalsContact O-CA 3.27Å; S259-I284 WeakPolarHBondContact O-CA 3.22Å; S259-I284 VanDerWaalsContact O-CB 3.23Å; S259-I284 WeakPolarHBondContact O-CB 3.34Å; S259-I284 PolarHBondContact O-N 2.88Å; S259-S285 PolarHBondContact O-N 2.67Å
260	R	81.3	Confident	63.1	Low	47 Å²	47	63.5 Å²	63.5	18%	0.177	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.1	-178.3	-54.8	-175.2	-72	91.8	13.5	111.4	I258 S285 D287 H429	I258-R260 PolarHBondContact O-N 3.03Å; R260-S285 VanDerWaalsContact CA-O 3.29Å; R260-S285 WeakPolarHBondContact CA-O 3.15Å; R260-S285 WeakPolarHBondContact CG-OG 3.41Å; R260-D287 WeakPolarHBondContact CD-OD2 3.48Å; R260-D287 IonicContact CZ-OD2 2.74Å; R260-D287 IonicContact NE-OD2 3.2Å; R260-D287 IonicContact NH1-OD2 2.78Å; R260-D287 PolarHBondContact NH1-OD2 3.12Å; R260-H429 PolarHBondContact NE-CD2 3.49Å; R260-H429 PolarHBondContact NE-CE1 2.98Å; R260-H429 PolarHBondContact NE-ND1 2.79Å; R260-H429 PolarHBondContact NE-NE2 3.33Å; R260-H429 VanDerWaalsContact NE-NE2 3.13Å; R260-H429 PolarHBondContact NH2-CE1 3.35Å; R260-H429 PolarHBondContact NH2-NE2 2.7Å
261	I	85.8	Confident	64.9	Low	2 Å²	2	63.8 Å²	63.8	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.6	160.1	-61.4	172.5	0	0	0	107.3	D265 F266 I277 L283 S285 I286 D287 A290	I261-D265 WeakPolarHBondContact CA-OD2 3.38Å; I261-D265 WeakPolarHBondContact CG2-OD2 3.45Å; I261-F266 HydrophobicContact CG2-CD2 4.32Å; I261-F266 HydrophobicContact CG2-CE2 3.79Å; I261-I277 HydrophobicContact CD1-CB 4.42Å; I261-I277 HydrophobicContact CD1-CD1 3.43Å; I261-I277 VanDerWaalsContact CD1-CD1 3.43Å; I261-I277 HydrophobicContact CD1-CG2 4.23Å; I261-L283 HydrophobicContact CD1-CD1 4.09Å; I261-L283 HydrophobicContact CD1-CD2 4Å; I261-L283 HydrophobicContact CG1-CD1 3.81Å; I261-S285 PolarHBondContact N-O 2.99Å; I261-I286 HydrophobicContact CB-CG2 4.44Å; I261-D287 PolarHBondContact O-N 3.42Å; I261-A290 HydrophobicContact CG2-CB 4.14Å
262	Q	82.8	Confident	66.4	Low	79 Å²	79	62.5 Å²	62.5	37%	0.369	34%	0.337	S	S	.	.			trans	-130.2	178.9	-167.2	65.1	-177.5	2	0	0	112.9	G264 D265 A290	Q262-G264 PolarHBondContact O-N 3.07Å; Q262-D265 WeakPolarHBondContact CG-OD1 3.23Å; Q262-D265 PolarHBondContact N-OD2 3.06Å; Q262-A290 WeakPolarHBondContact O-CA 3.44Å
263	R	81.9	Confident	68.4	Low	178 Å²	178	64.5 Å²	64.5	67%	0.672	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	92.1	-178.9	-174.9	-173.8	180	-162.4	-4.3	110.8	F289	R263-F289 HydrophobicContact CG-CB 4.43Å
264	G	76.1	Confident	70.5	Confident	25 Å²	25	62.6 Å²	62.6	26%	0.258	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	166.3	-38.6	174.6	0	0	0	0	0	111.5	Q262 F266 V267	Q262-G264 PolarHBondContact O-N 3.07Å; G264-F266 PolarHBondContact O-N 3.41Å; G264-V267 WeakPolarHBondContact O-CB 3.12Å; G264-V267 WeakPolarHBondContact O-CG2 3.43Å; G264-V267 PolarHBondContact O-N 2.85Å
265	D	74.4	Confident	73	Confident	18 Å²	18	58.6 Å²	58.6	10%	0.096	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.1	-166.8	-45.5	0.2	0	0	0	115.1	V251 I261 Q262	V251-D265 HydrophobicContact CG1-CB 4.33Å; I261-D265 WeakPolarHBondContact CA-OD2 3.38Å; I261-D265 WeakPolarHBondContact CG2-OD2 3.45Å; Q262-D265 WeakPolarHBondContact CG-OD1 3.23Å; Q262-D265 PolarHBondContact N-OD2 3.06Å
266	F	77.6	Confident	75.7	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.035	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	24.4	-179.2	-60.8	-82.6	0	0	0	112.9	F243 I261 G264 M269 L272 L275 I277 L291 L294	F243-F266 HydrophobicContact CZ-CZ 4.41Å; I261-F266 HydrophobicContact CG2-CD2 4.32Å; I261-F266 HydrophobicContact CG2-CE2 3.79Å; G264-F266 PolarHBondContact O-N 3.41Å; F266-M269 HydrophobicContact CD1-CE 4.29Å; F266-M269 HydrophobicContact CD1-SD 3.83Å; F266-L272 HydrophobicContact CD1-CD2 4.46Å; F266-L275 HydrophobicContact CD1-CD1 4.22Å; F266-L275 HydrophobicContact CD1-CD2 4.24Å; F266-L275 HydrophobicContact CE1-CD1 3.42Å; F266-L275 VanDerWaalsContact CE1-CD1 3.42Å; F266-L275 HydrophobicContact CE1-CD2 3.91Å; F266-L275 HydrophobicContact CE1-CG 4.34Å; F266-L275 HydrophobicContact CE2-CD2 4.18Å; F266-L275 HydrophobicContact CZ-CD1 3.8Å; F266-L275 HydrophobicContact CZ-CD2 3.87Å; F266-L275 HydrophobicContact CZ-CG 4.47Å; F266-I277 HydrophobicContact CZ-CG2 4.48Å; F266-L291 HydrophobicContact CB-CD2 4.09Å; F266-L291 HydrophobicContact CD2-CD2 3.34Å; F266-L291 HydrophobicContact CE2-CD2 3.91Å; F266-L291 HydrophobicContact CG-CD2 3.76Å; F266-L294 HydrophobicContact CB-CD1 4.33Å
267	V	70.3	Confident	78.1	Confident	77 Å²	77	49.4 Å²	49.4	47%	0.467	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	148.9	175.5	169.4	0	0	0	0	110.8	G264 M269	G264-V267 WeakPolarHBondContact O-CB 3.12Å; G264-V267 WeakPolarHBondContact O-CG2 3.43Å; G264-V267 PolarHBondContact O-N 2.85Å; V267-M269 PolarHBondContact O-N 3.39Å
268	D	66.8	Low	79.9	Confident	131 Å²	131	46 Å²	46	70%	0.701	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	2.6	-179.9	-59.6	-27.5	0	0	0	117.4	L270	D268-L270 PolarHBondContact O-N 2.89Å
269	M	75.3	Confident	81	Confident	53 Å²	53	47.2 Å²	47.2	26%	0.261	24%	0.236	S	C	.	.			trans	-74.5	52	171.2	-60.2	-164	-174.7	0	0	113	L232 F266 V267 H271 L272 L294	L232-M269 HydrophobicContact CD1-CE 4.46Å; F266-M269 HydrophobicContact CD1-CE 4.29Å; F266-M269 HydrophobicContact CD1-SD 3.83Å; V267-M269 PolarHBondContact O-N 3.39Å; M269-H271 PolarHBondContact O-N 2.8Å; M269-H271 VanDerWaalsContact O-N 3.13Å; M269-L272 HydrophobicContact CB-CB 4.15Å; M269-L272 HydrophobicContact CB-CD2 4.43Å; M269-L272 VanDerWaalsContact O-CB 3.29Å; M269-L272 WeakPolarHBondContact O-CB 3.28Å; M269-L272 PolarHBondContact O-N 3.08Å; M269-L272 VanDerWaalsContact O-N 3.11Å; M269-L272 HydrophobicContact SD-CD2 4.26Å; M269-L294 HydrophobicContact CB-CD2 3.98Å; M269-L294 VanDerWaalsContact O-CD2 3.3Å; M269-L294 WeakPolarHBondContact O-CD2 3.14Å
270	L	81	Confident	81.5	Confident	74 Å²	74	46.9 Å²	46.9	39%	0.387	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.9	-168.5	-63.5	176.6	0	0	0	114.4	D268 P295	D268-L270 PolarHBondContact O-N 2.89Å; L270-P295 WeakPolarHBondContact O-CD 3.21Å; L270-P295 WeakPolarHBondContact O-CG 3.08Å
271	H	84.5	Confident	81.4	Confident	86 Å²	86	47.5 Å²	47.5	40%	0.398	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.1	-177.7	-69.6	-59.2	0	0	0	114.7	L238 E239 M269 K273 E296	L238-H271 CarbonylContact O-C 3.29Å; E239-H271 WeakPolarHBondContact CA-O 3.22Å; M269-H271 PolarHBondContact O-N 2.8Å; M269-H271 VanDerWaalsContact O-N 3.13Å; H271-K273 PolarHBondContact O-N 3.06Å; H271-E296 IonicContact CE1-OE2 2.72Å; H271-E296 IonicContact CG-OE2 3.62Å; H271-E296 IonicContact ND1-OE2 3.35Å; H271-E296 PolarHBondContact ND1-OE2 2.83Å
272	L	84.9	Confident	81.2	Confident	2 Å²	2	52 Å²	52	1%	0.01	26%	0.264	C	S	.	.			trans	-63.9	117.4	-177.6	-169.6	68.6	0	0	0	111.1	I241 F266 M269 E274 L275 L294 E296 L297	I241-L272 HydrophobicContact CG2-CD1 4.1Å; F266-L272 HydrophobicContact CD1-CD2 4.46Å; M269-L272 HydrophobicContact CB-CB 4.15Å; M269-L272 HydrophobicContact CB-CD2 4.43Å; M269-L272 VanDerWaalsContact O-CB 3.29Å; M269-L272 WeakPolarHBondContact O-CB 3.28Å; M269-L272 PolarHBondContact O-N 3.08Å; M269-L272 VanDerWaalsContact O-N 3.11Å; M269-L272 HydrophobicContact SD-CD2 4.26Å; L272-E274 WeakPolarHBondContact CD1-O 3.45Å; L272-L275 HydrophobicContact CD2-CB 4.26Å; L272-L294 HydrophobicContact CD2-CD1 4.46Å; L272-E296 CarbonylContact O-C 3.52Å; L272-E296 VanDerWaalsContact O-C 3.32Å; L272-L297 HydrophobicContact CB-CD1 4.37Å; L272-L297 HydrophobicContact CD2-CD1 4.06Å; L272-L297 HydrophobicContact CG-CD1 3.84Å; L272-L297 WeakPolarHBondContact O-CA 3.34Å; L272-L297 WeakPolarHBondContact O-CB 3.28Å; L272-L297 WeakPolarHBondContact O-CD1 3.06Å; L272-L297 PolarHBondContact O-N 2.83Å
273	K	88.2	Confident	81.4	Confident	62 Å²	62	48.2 Å²	48.2	27%	0.27	25%	0.246	S	C	.	.			trans	-97.5	-38.6	178.2	-60.8	175.8	-164.8	169.3	0	111.5	E239 H271 E296 L297 T298 K299	E239-K273 HydrophobicContact CB-CD 4.09Å; E239-K273 HydrophobicContact CB-CG 4.33Å; E239-K273 WeakPolarHBondContact O-CA 3.39Å; E239-K273 WeakPolarHBondContact O-CB 3.47Å; E239-K273 PolarHBondContact O-N 2.84Å; E239-K273 IonicContact OE1-NZ 3.78Å; E239-K273 PolarHBondContact OE1-NZ 2.77Å; E239-K273 WeakPolarHBondContact OE2-CE 3.42Å; E239-K273 IonicContact OE2-NZ 3.48Å; E239-K273 PolarHBondContact OE2-NZ 3.29Å; H271-K273 PolarHBondContact O-N 3.06Å; K273-E296 HydrophobicContact CG-CB 4.23Å; K273-L297 CarbonylContact O-C 3.6Å; K273-T298 PolarHBondContact O-N 3.49Å; K273-T298 PolarHBondContact O-OG1 3.32Å; K273-T298 VanDerWaalsContact O-OG1 3.06Å; K273-K299 PolarHBondContact O-N 2.81Å; K273-K299 VanDerWaalsContact O-N 3.08Å
274	E	89.1	Confident	81.6	Confident	78 Å²	78	41.1 Å²	41.1	36%	0.364	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.5	180	-54.6	-166	127.5	0	0	112.3	E239 L272 K299	E239-E274 PolarHBondContact O-N 2.89Å; L272-E274 WeakPolarHBondContact CD1-O 3.45Å; E274-K299 WeakPolarHBondContact CA-O 3.45Å; E274-K299 HydrophobicContact CB-CB 4.33Å; E274-K299 HydrophobicContact CG-CB 3.96Å; E274-K299 HydrophobicContact CG-CD 4.39Å; E274-K299 WeakPolarHBondContact OE1-CD 3.1Å; E274-K299 IonicContact OE1-NZ 3.97Å
275	L	88.8	Confident	82.3	Confident	3 Å²	3	40 Å²	40	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.9	176.3	176.2	58.5	0	0	0	111.3	I241 F243 F266 L272 I277 L291 L297 K299 E301	I241-L275 HydrophobicContact CG2-CD1 4.35Å; F243-L275 HydrophobicContact CE1-CD1 4.33Å; F266-L275 HydrophobicContact CD1-CD1 4.22Å; F266-L275 HydrophobicContact CD1-CD2 4.24Å; F266-L275 HydrophobicContact CE1-CD1 3.42Å; F266-L275 VanDerWaalsContact CE1-CD1 3.42Å; F266-L275 HydrophobicContact CE1-CD2 3.91Å; F266-L275 HydrophobicContact CE1-CG 4.34Å; F266-L275 HydrophobicContact CE2-CD2 4.18Å; F266-L275 HydrophobicContact CZ-CD1 3.8Å; F266-L275 HydrophobicContact CZ-CD2 3.87Å; F266-L275 HydrophobicContact CZ-CG 4.47Å; L272-L275 HydrophobicContact CD2-CB 4.26Å; L275-I277 HydrophobicContact CD1-CG2 4.05Å; L275-I277 HydrophobicContact CG-CG2 4.22Å; L275-L291 HydrophobicContact CD2-CD1 3.85Å; L275-L291 HydrophobicContact CD2-CD2 3.63Å; L275-L291 HydrophobicContact CD2-CG 4.43Å; L275-L297 HydrophobicContact CB-CD1 4.2Å; L275-K299 PolarHBondContact N-O 2.79Å; L275-K299 VanDerWaalsContact N-O 3.08Å; L275-E301 PolarHBondContact O-N 2.98Å
276	G	87.6	Confident	83.1	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	97.3	177.9	0	0	0	0	0	113.8
277	I	86.2	Confident	83.6	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.206	C	C	.	.			trans	-110.5	51.1	175.4	51.7	167.6	0	0	0	110.8	F243 I261 F266 L275 M280 I286 E301 A302 N305	F243-I277 HydrophobicContact CE2-CG2 4.26Å; F243-I277 HydrophobicContact CZ-CG2 3.84Å; I261-I277 HydrophobicContact CD1-CB 4.42Å; I261-I277 HydrophobicContact CD1-CD1 3.43Å; I261-I277 VanDerWaalsContact CD1-CD1 3.43Å; I261-I277 HydrophobicContact CD1-CG2 4.23Å; F266-I277 HydrophobicContact CZ-CG2 4.48Å; L275-I277 HydrophobicContact CD1-CG2 4.05Å; L275-I277 HydrophobicContact CG-CG2 4.22Å; I277-M280 HydrophobicContact CB-SD 3.94Å; I277-M280 HydrophobicContact CG2-SD 4.25Å; I277-I286 HydrophobicContact CD1-CD1 4.11Å; I277-E301 CarbonylContact C-O 3.49Å; I277-E301 WeakPolarHBondContact CG1-O 3.38Å; I277-E301 PolarHBondContact N-O 2.87Å; I277-A302 HydrophobicContact CD1-CB 3.79Å; I277-A302 HydrophobicContact CG1-CB 3.7Å; I277-A302 WeakPolarHBondContact O-CA 3.45Å; I277-N305 PolarHBondContact O-ND2 2.63Å; I277-N305 PolarHBondContact O-OD1 3.49Å
278	N	83.6	Confident	84.6	Confident	8 Å²	8	37.4 Å²	37.4	4%	0.043	20%	0.196	C	C	.	.			trans	-85.3	163.1	178.3	-57.8	-51.1	0	0	0	112.2	Y244 M280 E301 T303	Y244-N278 WeakPolarHBondContact CB-O 3.43Å; Y244-N278 HydrophobicContact CD1-CB 4.34Å; Y244-N278 HydrophobicContact CG-CB 4.02Å; N278-M280 WeakPolarHBondContact O-CG 3.4Å; N278-M280 PolarHBondContact O-N 2.9Å; N278-E301 PolarHBondContact ND2-OE2 3.15Å; N278-E301 WeakPolarHBondContact OD1-CB 3.43Å; N278-E301 PolarHBondContact OD1-O 3.07Å; N278-T303 CarbonylContact C-O 3.59Å; N278-T303 VanDerWaalsContact CA-O 3.23Å; N278-T303 WeakPolarHBondContact CA-O 3.48Å; N278-T303 WeakPolarHBondContact OD1-CB 3.23Å; N278-T303 PolarHBondContact OD1-N 3.2Å; N278-T303 PolarHBondContact OD1-OG1 2.96Å
279	S	82.3	Confident	85.7	Confident	35 Å²	35	34.3 Å²	34.3	25%	0.245	18%	0.177	C	C	.	.	S	Bend	trans	55.3	24	168.1	-51	0	0	0	0	116.4	D245 P281 T303 N305	D245-S279 WeakPolarHBondContact OD1-CB 3.41Å; D245-S279 PolarHBondContact OD1-OG 3.02Å; S279-P281 VanDerWaalsContact O-CD 3.26Å; S279-P281 WeakPolarHBondContact O-CD 3.43Å; S279-T303 PolarHBondContact N-O 3.37Å; S279-N305 PolarHBondContact N-OD1 2.83Å
280	M	82.1	Confident	86.3	Confident	13 Å²	13	31.9 Å²	31.9	6%	0.064	17%	0.165	C	C	.	.			trans	-86	104.9	-179.2	-55.5	-172.2	72.4	0	0	110	V251 I258 I277 N278 E282 L283 N305	V251-M280 HydrophobicContact CG2-CE 4.48Å; I258-M280 HydrophobicContact CD1-CE 3.54Å; I258-M280 HydrophobicContact CG1-CE 4.13Å; I277-M280 HydrophobicContact CB-SD 3.94Å; I277-M280 HydrophobicContact CG2-SD 4.25Å; N278-M280 WeakPolarHBondContact O-CG 3.4Å; N278-M280 PolarHBondContact O-N 2.9Å; M280-E282 VanDerWaalsContact C-N 3.29Å; M280-E282 PolarHBondContact O-N 2.88Å; M280-L283 HydrophobicContact CB-CB 3.76Å; M280-L283 HydrophobicContact CB-CD2 4.4Å; M280-L283 PolarHBondContact O-N 3.38Å; M280-L283 HydrophobicContact SD-CD2 4.15Å; M280-N305 WeakPolarHBondContact CA-OD1 3.46Å; M280-N305 WeakPolarHBondContact CB-OD1 3.38Å; M280-N305 PolarHBondContact N-OD1 3.34Å
281	P	80	Confident	86.6	Confident	61 Å²	61	28.4 Å²	28.4	40%	0.396	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.2	-169.3	29.7	-36.4	0	0	0	114	S279 K307	S279-P281 VanDerWaalsContact O-CD 3.26Å; S279-P281 WeakPolarHBondContact O-CD 3.43Å; P281-K307 VanDerWaalsContact O-CD 3.29Å; P281-K307 WeakPolarHBondContact O-CD 3.18Å
282	E	82.2	Confident	86.6	Confident	95 Å²	95	26.2 Å²	26.2	44%	0.444	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-0.9	-178.2	-63.7	-51.6	124.7	0	0	113.8	I258 S259 M280 I284 K307	I258-E282 HydrophobicContact CG2-CB 3.77Å; S259-E282 VanDerWaalsContact CA-O 3.28Å; S259-E282 WeakPolarHBondContact CA-O 3.26Å; M280-E282 VanDerWaalsContact C-N 3.29Å; M280-E282 PolarHBondContact O-N 2.88Å; E282-I284 WeakPolarHBondContact O-CG1 3.37Å; E282-I284 PolarHBondContact O-N 3.23Å; E282-K307 IonicContact OE1-NZ 3.59Å; E282-K307 PolarHBondContact OE1-NZ 3.29Å; E282-K307 IonicContact OE2-NZ 3.19Å; E282-K307 PolarHBondContact OE2-NZ 3.45Å
283	L	86.1	Confident	86.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.			trans	-74.4	123	178.2	176	58.7	0	0	0	110.7	I261 M280 K307 L308	I261-L283 HydrophobicContact CD1-CD1 4.09Å; I261-L283 HydrophobicContact CD1-CD2 4Å; I261-L283 HydrophobicContact CG1-CD1 3.81Å; M280-L283 HydrophobicContact CB-CB 3.76Å; M280-L283 HydrophobicContact CB-CD2 4.4Å; M280-L283 PolarHBondContact O-N 3.38Å; M280-L283 HydrophobicContact SD-CD2 4.15Å; L283-K307 CarbonylContact O-C 3.54Å; L283-K307 WeakPolarHBondContact O-CB 3.47Å; L283-L308 HydrophobicContact CD2-CD2 4.21Å; L283-L308 HydrophobicContact CG-CD1 4.35Å; L283-L308 WeakPolarHBondContact O-CA 3.48Å; L283-L308 PolarHBondContact O-N 2.81Å
284	I	87.3	Confident	86.5	Confident	30 Å²	30	28.3 Å²	28.3	15%	0.154	15%	0.152	C	C	.	.			trans	-112.8	-40.9	-175.2	-46.3	-179.2	0	0	0	112.7	S259 E282 K307 L308 S309 Y310 E412	S259-I284 CarbonylContact O-C 3.58Å; S259-I284 VanDerWaalsContact O-CA 3.27Å; S259-I284 WeakPolarHBondContact O-CA 3.22Å; S259-I284 VanDerWaalsContact O-CB 3.23Å; S259-I284 WeakPolarHBondContact O-CB 3.34Å; S259-I284 PolarHBondContact O-N 2.88Å; E282-I284 WeakPolarHBondContact O-CG1 3.37Å; E282-I284 PolarHBondContact O-N 3.23Å; I284-K307 WeakPolarHBondContact CA-O 3.13Å; I284-K307 HydrophobicContact CG1-CB 4.07Å; I284-K307 HydrophobicContact CG1-CD 4.46Å; I284-L308 WeakPolarHBondContact O-CA 3.44Å; I284-S309 PolarHBondContact O-N 2.91Å; I284-S309 PolarHBondContact O-OG 3.27Å; I284-Y310 PolarHBondContact O-N 3.04Å; I284-E412 HydrophobicContact CG2-CB 3.82Å
285	S	90	Very high	86.5	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.014	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160.4	176.5	72.5	0	0	0	0	116.5	S259 R260 I261 D287 Y310	S259-S285 PolarHBondContact O-N 2.67Å; R260-S285 VanDerWaalsContact CA-O 3.29Å; R260-S285 WeakPolarHBondContact CA-O 3.15Å; R260-S285 WeakPolarHBondContact CG-OG 3.41Å; I261-S285 PolarHBondContact N-O 2.99Å; S285-D287 PolarHBondContact OG-OD1 3.28Å; S285-D287 VanDerWaalsContact OG-OD1 3.07Å; S285-Y310 CarbonylContact C-O 3.54Å; S285-Y310 WeakPolarHBondContact CA-O 3.49Å; S285-Y310 VanDerWaalsContact CB-O 3.23Å; S285-Y310 WeakPolarHBondContact CB-O 3.46Å
286	I	92	Very high	86.6	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.5	165.2	-52.3	177.8	0	0	0	107.5	I261 I277 A290 L308 Y310 I311 H312 A315 F316	I261-I286 HydrophobicContact CB-CG2 4.44Å; I277-I286 HydrophobicContact CD1-CD1 4.11Å; I286-A290 HydrophobicContact CG2-CB 3.77Å; I286-L308 HydrophobicContact CG1-CD1 4.24Å; I286-Y310 PolarHBondContact N-O 3.04Å; I286-I311 HydrophobicContact CB-CG1 4.38Å; I286-I311 HydrophobicContact CB-CG2 4.46Å; I286-I311 HydrophobicContact CD1-CD1 4.41Å; I286-I311 HydrophobicContact CD1-CG1 4.29Å; I286-I311 HydrophobicContact CG1-CG1 4.39Å; I286-H312 WeakPolarHBondContact O-CB 3.46Å; I286-H312 PolarHBondContact O-N 2.8Å; I286-A315 HydrophobicContact CB-CB 4.46Å; I286-A315 HydrophobicContact CG2-CB 3.9Å; I286-F316 HydrophobicContact CD1-CE1 4.15Å; I286-F316 HydrophobicContact CD1-CZ 4.07Å; I286-F316 HydrophobicContact CG2-CE1 4.22Å
287	D	88.2	Confident	86.9	Confident	10 Å²	10	28.4 Å²	28.4	5%	0.053	16%	0.156	C	C	.	.			trans	-86.5	176.7	-171.5	-77	-13.6	0	0	0	113	R260 I261 S285 F289 A290 A315 R431	R260-D287 WeakPolarHBondContact CD-OD2 3.48Å; R260-D287 IonicContact CZ-OD2 2.74Å; R260-D287 IonicContact NE-OD2 3.2Å; R260-D287 IonicContact NH1-OD2 2.78Å; R260-D287 PolarHBondContact NH1-OD2 3.12Å; I261-D287 PolarHBondContact O-N 3.42Å; S285-D287 PolarHBondContact OG-OD1 3.28Å; S285-D287 VanDerWaalsContact OG-OD1 3.07Å; D287-F289 PolarHBondContact O-N 3.36Å; D287-A290 WeakPolarHBondContact O-CB 3.42Å; D287-A290 PolarHBondContact O-N 2.78Å; D287-A315 WeakPolarHBondContact O-CA 3.29Å; D287-R431 VanDerWaalsContact CG-NH2 3.28Å; D287-R431 IonicContact OD1-CZ 3.18Å; D287-R431 IonicContact OD1-NE 3.62Å; D287-R431 PolarHBondContact OD1-NE 2.74Å; D287-R431 IonicContact OD1-NH2 3.78Å; D287-R431 PolarHBondContact OD1-NH2 3.39Å; D287-R431 IonicContact OD2-CZ 3.8Å; D287-R431 IonicContact OD2-NE 2.7Å; D287-R431 IonicContact OD2-NH2 3.19Å; D287-R431 PolarHBondContact OD2-NH2 2.64Å
288	S	90.1	Very high	87.3	Confident	36 Å²	36	30.7 Å²	30.7	25%	0.252	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	133	-174.6	81.1	0	0	0	0	112.6	A290 H312	S288-A290 PolarHBondContact O-N 3.26Å; S288-A290 VanDerWaalsContact O-N 3.12Å; S288-H312 WeakPolarHBondContact CA-ND1 3.47Å; S288-H312 WeakPolarHBondContact CB-CE1 3.44Å; S288-H312 WeakPolarHBondContact CB-ND1 3.49Å
289	F	89.2	Confident	87.8	Confident	66 Å²	66	32.9 Å²	32.9	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	24.4	178.7	-49.3	-83	0	0	0	114.6	R263 D287 N292 N314 Y317	R263-F289 HydrophobicContact CG-CB 4.43Å; D287-F289 PolarHBondContact O-N 3.36Å; F289-N292 HydrophobicContact CB-CB 4.18Å; F289-N292 WeakPolarHBondContact O-CB 3.07Å; F289-N292 PolarHBondContact O-ND2 2.59Å; F289-N314 HydrophobicContact CE1-CB 4.21Å; F289-N314 HydrophobicContact CE2-CB 4.3Å; F289-N314 HydrophobicContact CZ-CB 4Å; F289-N314 PolarHBondContact N-O 2.82Å; F289-Y317 HydrophobicContact CD1-CD1 4.1Å; F289-Y317 AromaticContact CD1-CG 3.97Å; F289-Y317 HydrophobicContact CD1-CG 3.97Å; F289-Y317 AromaticContact CE1-CD1 3.73Å; F289-Y317 HydrophobicContact CE1-CD1 3.73Å; F289-Y317 AromaticContact CE1-CD2 3.95Å; F289-Y317 HydrophobicContact CE1-CD2 3.95Å; F289-Y317 HydrophobicContact CE1-CE1 4.23Å; F289-Y317 HydrophobicContact CE1-CE2 4.42Å; F289-Y317 AromaticContact CE1-CG 3.56Å; F289-Y317 HydrophobicContact CE1-CG 3.56Å
290	A	87.9	Confident	88.4	Confident	2 Å²	2	31.2 Å²	31.2	2%	0.017	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-53	176.7	0	0	0	0	0	111.8	I261 Q262 I286 D287 S288 N292	I261-A290 HydrophobicContact CG2-CB 4.14Å; Q262-A290 WeakPolarHBondContact O-CA 3.44Å; I286-A290 HydrophobicContact CG2-CB 3.77Å; D287-A290 WeakPolarHBondContact O-CB 3.42Å; D287-A290 PolarHBondContact O-N 2.78Å; S288-A290 PolarHBondContact O-N 3.26Å; S288-A290 VanDerWaalsContact O-N 3.12Å; A290-N292 PolarHBondContact O-N 2.77Å
291	L	88.2	Confident	88.9	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	65.7	176.8	-59.1	-178.9	0	0	0	110	F266 L275 L294 I300 A315 F316 L319	F266-L291 HydrophobicContact CB-CD2 4.09Å; F266-L291 HydrophobicContact CD2-CD2 3.34Å; F266-L291 HydrophobicContact CE2-CD2 3.91Å; F266-L291 HydrophobicContact CG-CD2 3.76Å; L275-L291 HydrophobicContact CD2-CD1 3.85Å; L275-L291 HydrophobicContact CD2-CD2 3.63Å; L275-L291 HydrophobicContact CD2-CG 4.43Å; L291-L294 HydrophobicContact CB-CD1 4.16Å; L291-L294 HydrophobicContact CD2-CD1 4.01Å; L291-I300 HydrophobicContact CD1-CD1 3.54Å; L291-I300 HydrophobicContact CD1-CG1 4.08Å; L291-A315 PolarHBondContact N-O 3.34Å; L291-F316 HydrophobicContact CB-CD1 4.38Å; L291-F316 HydrophobicContact CD1-CD1 3.98Å; L291-F316 HydrophobicContact CD1-CE1 3.94Å; L291-L319 HydrophobicContact CB-CD1 4.38Å; L291-L319 WeakPolarHBondContact O-CD2 3.37Å
292	N	84.8	Confident	89.5	Confident	40 Å²	40	29.8 Å²	29.8	21%	0.214	16%	0.155	C	C	.	.			trans	-98.7	153.8	174.2	82	98.9	0	0	0	111.2	F289 A290 L294	F289-N292 HydrophobicContact CB-CB 4.18Å; F289-N292 WeakPolarHBondContact O-CB 3.07Å; F289-N292 PolarHBondContact O-ND2 2.59Å; A290-N292 PolarHBondContact O-N 2.77Å; N292-L294 VanDerWaalsContact C-N 3.32Å; N292-L294 PolarHBondContact O-N 3.34Å
293	N	83.8	Confident	89.9	Confident	107 Å²	107	25.9 Å²	25.9	57%	0.572	14%	0.138	S	C	*	.	S	Bend	trans	58	34.6	174.5	-161.8	57.5	0	0	0	115.6	P295	N293-P295 WeakPolarHBondContact O-CD 3.2Å
294	L	87.9	Confident	90.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.161	C	C	.	.			trans	-103.6	86.5	170.1	-57.6	172.8	0	0	0	108.9	F266 M269 L272 L291 N292 E296 L297 L319	F266-L294 HydrophobicContact CB-CD1 4.33Å; M269-L294 HydrophobicContact CB-CD2 3.98Å; M269-L294 VanDerWaalsContact O-CD2 3.3Å; M269-L294 WeakPolarHBondContact O-CD2 3.14Å; L272-L294 HydrophobicContact CD2-CD1 4.46Å; L291-L294 HydrophobicContact CB-CD1 4.16Å; L291-L294 HydrophobicContact CD2-CD1 4.01Å; N292-L294 VanDerWaalsContact C-N 3.32Å; N292-L294 PolarHBondContact O-N 3.34Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 2.87Å; L294-L297 HydrophobicContact CB-CB 3.96Å; L294-L297 HydrophobicContact CB-CD2 4.39Å; L294-L297 HydrophobicContact CD1-CD2 3.95Å; L294-L319 HydrophobicContact CB-CD2 3.78Å; L294-L319 WeakPolarHBondContact O-CD2 3.44Å
295	P	88.8	Confident	90.3	Very high	48 Å²	48	28.8 Å²	28.8	31%	0.312	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.3	-169.7	30.6	-37.7	0	0	0	114	L270 N293 P320 R321	L270-P295 WeakPolarHBondContact O-CD 3.21Å; L270-P295 WeakPolarHBondContact O-CG 3.08Å; N293-P295 WeakPolarHBondContact O-CD 3.2Å; P295-P320 HydrophobicContact CB-CG 4.47Å; P295-R321 WeakPolarHBondContact O-CG 3.44Å
296	E	90.9	Very high	90.2	Very high	39 Å²	39	32.5 Å²	32.5	18%	0.182	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-6.4	-177.7	-54.4	-139.3	104.1	0	0	113.6	H271 L272 K273 L294 T298 R321	H271-E296 IonicContact CE1-OE2 2.72Å; H271-E296 IonicContact CG-OE2 3.62Å; H271-E296 IonicContact ND1-OE2 3.35Å; H271-E296 PolarHBondContact ND1-OE2 2.83Å; L272-E296 CarbonylContact O-C 3.52Å; L272-E296 VanDerWaalsContact O-C 3.32Å; K273-E296 HydrophobicContact CG-CB 4.23Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 2.87Å; E296-T298 PolarHBondContact O-N 2.84Å; E296-R321 IonicContact OE1-CZ 3.08Å; E296-R321 IonicContact OE1-NH1 2.65Å; E296-R321 PolarHBondContact OE1-NH1 3.28Å; E296-R321 IonicContact OE1-NH2 3.14Å; E296-R321 PolarHBondContact OE1-NH2 2.98Å
297	L	92.8	Very high	90.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.			trans	-66.2	116.9	-173.1	-161.3	76.5	0	0	0	112.3	L272 K273 L275 L294 I300 L319 R321 L322	L272-L297 HydrophobicContact CB-CD1 4.37Å; L272-L297 HydrophobicContact CD2-CD1 4.06Å; L272-L297 HydrophobicContact CG-CD1 3.84Å; L272-L297 WeakPolarHBondContact O-CA 3.34Å; L272-L297 WeakPolarHBondContact O-CB 3.28Å; L272-L297 WeakPolarHBondContact O-CD1 3.06Å; L272-L297 PolarHBondContact O-N 2.83Å; K273-L297 CarbonylContact O-C 3.6Å; L275-L297 HydrophobicContact CB-CD1 4.2Å; L294-L297 HydrophobicContact CB-CB 3.96Å; L294-L297 HydrophobicContact CB-CD2 4.39Å; L294-L297 HydrophobicContact CD1-CD2 3.95Å; L297-I300 HydrophobicContact CD2-CD1 3.84Å; L297-I300 HydrophobicContact CD2-CG1 3.67Å; L297-I300 HydrophobicContact CG-CG1 4.46Å; L297-L319 HydrophobicContact CD2-CD1 4Å; L297-L319 HydrophobicContact CD2-CD2 4.38Å; L297-R321 CarbonylContact O-C 3.5Å; L297-L322 HydrophobicContact CD2-CD1 4.21Å; L297-L322 HydrophobicContact CG-CD1 4.23Å; L297-L322 VanDerWaalsContact O-CA 3.24Å; L297-L322 WeakPolarHBondContact O-CA 3.43Å; L297-L322 PolarHBondContact O-N 3.11Å
298	T	94.7	Very high	90.4	Very high	49 Å²	49	34.6 Å²	34.6	30%	0.301	19%	0.186	S	C	.	.			trans	-104	-28.1	178.3	55.8	0	0	0	0	113.1	K273 E296 R321 E323 T324	K273-T298 PolarHBondContact O-N 3.49Å; K273-T298 PolarHBondContact O-OG1 3.32Å; K273-T298 VanDerWaalsContact O-OG1 3.06Å; E296-T298 PolarHBondContact O-N 2.84Å; T298-R321 WeakPolarHBondContact CA-O 3.47Å; T298-R321 HydrophobicContact CG2-CB 4.3Å; T298-E323 PolarHBondContact O-N 3.36Å; T298-T324 PolarHBondContact O-N 3.13Å; T298-T324 VanDerWaalsContact O-N 3.15Å
299	K	94.6	Very high	90.5	Very high	55 Å²	55	33 Å²	33	24%	0.239	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.7	-173.8	-162.6	-175.6	-169.3	-164.4	0	113.1	K273 E274 L275 E301 T324	K273-K299 PolarHBondContact O-N 2.81Å; K273-K299 VanDerWaalsContact O-N 3.08Å; E274-K299 WeakPolarHBondContact CA-O 3.45Å; E274-K299 HydrophobicContact CB-CB 4.33Å; E274-K299 HydrophobicContact CG-CB 3.96Å; E274-K299 HydrophobicContact CG-CD 4.39Å; E274-K299 WeakPolarHBondContact OE1-CD 3.1Å; E274-K299 IonicContact OE1-NZ 3.97Å; L275-K299 PolarHBondContact N-O 2.79Å; L275-K299 VanDerWaalsContact N-O 3.08Å; K299-E301 HydrophobicContact CD-CG 4.34Å; K299-E301 WeakPolarHBondContact CE-OE1 3.31Å; K299-E301 HydrophobicContact CG-CG 4.39Å; K299-E301 IonicContact NZ-OE1 3.19Å; K299-E301 PolarHBondContact NZ-OE1 3.19Å; K299-T324 WeakPolarHBondContact CA-O 3.29Å; K299-T324 HydrophobicContact CG-CG2 4.27Å
300	I	94.2	Very high	90.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.1	165.6	-66.1	161.9	0	0	0	108.3	L291 L297 F316 L319 L322 T324 L325 M326	L291-I300 HydrophobicContact CD1-CD1 3.54Å; L291-I300 HydrophobicContact CD1-CG1 4.08Å; L297-I300 HydrophobicContact CD2-CD1 3.84Å; L297-I300 HydrophobicContact CD2-CG1 3.67Å; L297-I300 HydrophobicContact CG-CG1 4.46Å; I300-F316 HydrophobicContact CD1-CD1 3.99Å; I300-F316 HydrophobicContact CD1-CE1 4.16Å; I300-F316 HydrophobicContact CD1-CG 4.47Å; I300-L319 HydrophobicContact CD1-CD1 4Å; I300-L322 HydrophobicContact CB-CD1 4.41Å; I300-L322 HydrophobicContact CD1-CD1 3.77Å; I300-L322 HydrophobicContact CD1-CD2 3.86Å; I300-L322 HydrophobicContact CG1-CD1 3.75Å; I300-T324 PolarHBondContact N-O 3.48Å; I300-T324 VanDerWaalsContact N-O 3.07Å; I300-L325 HydrophobicContact CB-CD1 3.94Å; I300-L325 HydrophobicContact CD1-CD1 4.48Å; I300-L325 HydrophobicContact CG2-CD1 3.98Å; I300-M326 PolarHBondContact O-N 2.91Å
301	E	93.3	Very high	91	Very high	43 Å²	43	31 Å²	31	20%	0.201	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.9	168.1	-55.1	-175	176.1	0	0	109.9	L275 I277 N278 K299 M326	L275-E301 PolarHBondContact O-N 2.98Å; I277-E301 CarbonylContact C-O 3.49Å; I277-E301 WeakPolarHBondContact CG1-O 3.38Å; I277-E301 PolarHBondContact N-O 2.87Å; N278-E301 PolarHBondContact ND2-OE2 3.15Å; N278-E301 WeakPolarHBondContact OD1-CB 3.43Å; N278-E301 PolarHBondContact OD1-O 3.07Å; K299-E301 HydrophobicContact CD-CG 4.34Å; K299-E301 WeakPolarHBondContact CE-OE1 3.31Å; K299-E301 HydrophobicContact CG-CG 4.39Å; K299-E301 IonicContact NZ-OE1 3.19Å; K299-E301 PolarHBondContact NZ-OE1 3.19Å; E301-M326 HydrophobicContact CG-SD 4.02Å
302	A	92.8	Very high	91.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.			trans	-132.2	62.7	173.5	0	0	0	0	0	109.1	I277 N305 L308 M326 L327 N330	I277-A302 HydrophobicContact CD1-CB 3.79Å; I277-A302 HydrophobicContact CG1-CB 3.7Å; I277-A302 WeakPolarHBondContact O-CA 3.45Å; A302-N305 PolarHBondContact O-ND2 2.73Å; A302-L308 HydrophobicContact CB-CD2 4.12Å; A302-M326 CarbonylContact C-O 3.58Å; A302-M326 PolarHBondContact N-O 2.79Å; A302-L327 HydrophobicContact CB-CD2 3.98Å; A302-N330 PolarHBondContact O-ND2 2.97Å; A302-N330 PolarHBondContact O-OD1 2.88Å
303	T	91.3	Very high	91.6	Very high	13 Å²	13	30.5 Å²	30.5	8%	0.08	16%	0.163	C	C	.	.			trans	-103.6	154.9	-173.9	69.9	0	0	0	0	113	N278 S279 N305 M326 N328	N278-T303 CarbonylContact C-O 3.59Å; N278-T303 VanDerWaalsContact CA-O 3.23Å; N278-T303 WeakPolarHBondContact CA-O 3.48Å; N278-T303 WeakPolarHBondContact OD1-CB 3.23Å; N278-T303 PolarHBondContact OD1-N 3.2Å; N278-T303 PolarHBondContact OD1-OG1 2.96Å; S279-T303 PolarHBondContact N-O 3.37Å; T303-N305 VanDerWaalsContact C-N 3.26Å; T303-N305 PolarHBondContact O-N 3.01Å; T303-M326 HydrophobicContact CG2-CB 3.69Å; T303-N328 CarbonylContact C-O 3.54Å; T303-N328 WeakPolarHBondContact CA-O 3.11Å; T303-N328 WeakPolarHBondContact CB-O 3.23Å; T303-N328 WeakPolarHBondContact CG2-OD1 3.34Å
304	N	90.3	Very high	92	Very high	92 Å²	92	27.4 Å²	27.4	49%	0.492	15%	0.147	S	C	.	.	S	Bend	trans	57.7	32.1	176.8	-54.6	-36.4	0	0	0	114.4	P306 N328 G329 N330	N304-P306 VanDerWaalsContact O-CD 3.24Å; N304-P306 WeakPolarHBondContact O-CD 3.46Å; N304-N328 PolarHBondContact N-O 3.38Å; N304-G329 VanDerWaalsContact CA-O 3.28Å; N304-G329 WeakPolarHBondContact CA-O 3.35Å; N304-N330 PolarHBondContact N-OD1 3.19Å
305	N	90.3	Very high	92.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.			trans	-95.5	95	176.5	-61.7	-55.3	0	0	0	109.3	I277 S279 M280 A302 T303 K307 L308 N330	I277-N305 PolarHBondContact O-ND2 2.63Å; I277-N305 PolarHBondContact O-OD1 3.49Å; S279-N305 PolarHBondContact N-OD1 2.83Å; M280-N305 WeakPolarHBondContact CA-OD1 3.46Å; M280-N305 WeakPolarHBondContact CB-OD1 3.38Å; M280-N305 PolarHBondContact N-OD1 3.34Å; A302-N305 PolarHBondContact O-ND2 2.73Å; T303-N305 VanDerWaalsContact C-N 3.26Å; T303-N305 PolarHBondContact O-N 3.01Å; N305-K307 PolarHBondContact O-N 2.84Å; N305-L308 HydrophobicContact CB-CB 3.57Å; N305-L308 HydrophobicContact CB-CD2 4.05Å; N305-L308 HydrophobicContact CB-CG 4.47Å; N305-L308 WeakPolarHBondContact O-CB 3.23Å; N305-L308 PolarHBondContact O-N 3.23Å; N305-N330 WeakPolarHBondContact CA-OD1 3.22Å; N305-N330 VanDerWaalsContact CB-OD1 3.31Å; N305-N330 WeakPolarHBondContact CB-OD1 3.5Å; N305-N330 PolarHBondContact N-OD1 3.11Å; N305-N330 WeakPolarHBondContact O-CA 3.41Å; N305-N330 PolarHBondContact O-OD1 2.98Å
306	P	89.2	Confident	92.4	Very high	79 Å²	79	25.1 Å²	25.1	51%	0.513	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.6	-164	27.3	-37.7	0	0	0	115.6	N304	N304-P306 VanDerWaalsContact O-CD 3.24Å; N304-P306 WeakPolarHBondContact O-CD 3.46Å
307	K	89.5	Confident	92.4	Very high	55 Å²	55	27.3 Å²	27.3	24%	0.239	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-7.8	174.9	-65.6	178.5	-177.8	155	0	113.9	P281 E282 L283 I284 N305 S309 E412	P281-K307 VanDerWaalsContact O-CD 3.29Å; P281-K307 WeakPolarHBondContact O-CD 3.18Å; E282-K307 IonicContact OE1-NZ 3.59Å; E282-K307 PolarHBondContact OE1-NZ 3.29Å; E282-K307 IonicContact OE2-NZ 3.19Å; E282-K307 PolarHBondContact OE2-NZ 3.45Å; L283-K307 CarbonylContact O-C 3.54Å; L283-K307 WeakPolarHBondContact O-CB 3.47Å; I284-K307 WeakPolarHBondContact CA-O 3.13Å; I284-K307 HydrophobicContact CG1-CB 4.07Å; I284-K307 HydrophobicContact CG1-CD 4.46Å; N305-K307 PolarHBondContact O-N 2.84Å; K307-S309 WeakPolarHBondContact O-CB 3.27Å; K307-S309 PolarHBondContact O-N 2.92Å; K307-S309 PolarHBondContact O-OG 3.03Å; K307-S309 VanDerWaalsContact O-OG 3.06Å; K307-E412 HydrophobicContact CB-CB 4.37Å; K307-E412 HydrophobicContact CB-CG 4.42Å
308	L	93	Very high	92.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.			trans	-69.2	103.4	-174.4	174.4	55	0	0	0	108.9	L283 I284 I286 A302 N305 I311 N330 A331 L332	L283-L308 HydrophobicContact CD2-CD2 4.21Å; L283-L308 HydrophobicContact CG-CD1 4.35Å; L283-L308 WeakPolarHBondContact O-CA 3.48Å; L283-L308 PolarHBondContact O-N 2.81Å; I284-L308 WeakPolarHBondContact O-CA 3.44Å; I286-L308 HydrophobicContact CG1-CD1 4.24Å; A302-L308 HydrophobicContact CB-CD2 4.12Å; N305-L308 HydrophobicContact CB-CB 3.57Å; N305-L308 HydrophobicContact CB-CD2 4.05Å; N305-L308 HydrophobicContact CB-CG 4.47Å; N305-L308 WeakPolarHBondContact O-CB 3.23Å; N305-L308 PolarHBondContact O-N 3.23Å; L308-I311 HydrophobicContact CD1-CG1 4.34Å; L308-N330 HydrophobicContact CB-CB 4.19Å; L308-N330 HydrophobicContact CG-CB 4.48Å; L308-N330 WeakPolarHBondContact O-CB 3.29Å; L308-A331 CarbonylContact O-C 3.32Å; L308-A331 WeakPolarHBondContact O-CA 3.45Å; L308-A331 PolarHBondContact O-N 2.8Å; L308-L332 HydrophobicContact CG-CD2 4.21Å; L308-L332 PolarHBondContact O-N 3.06Å
309	S	92.9	Very high	91.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	15%	0.152	C	C	.	.			trans	-129.8	-7.9	-162.6	55	0	0	0	0	113.3	I284 K307 A331 S410	I284-S309 PolarHBondContact O-N 2.91Å; I284-S309 PolarHBondContact O-OG 3.27Å; K307-S309 WeakPolarHBondContact O-CB 3.27Å; K307-S309 PolarHBondContact O-N 2.92Å; K307-S309 PolarHBondContact O-OG 3.03Å; K307-S309 VanDerWaalsContact O-OG 3.06Å; S309-A331 WeakPolarHBondContact CA-O 3.23Å; S309-A331 WeakPolarHBondContact CB-O 3.44Å; S309-S410 VanDerWaalsContact CB-OG 3.31Å; S309-S410 WeakPolarHBondContact CB-OG 3.21Å; S309-S410 PolarHBondContact OG-OG 2.96Å
310	Y	93.4	Very high	91.7	Very high	17 Å²	17	31.3 Å²	31.3	7%	0.067	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	132	176.3	-176	-94.1	0	0	0	111.8	I284 S285 I286 H312 R431 A432 F433	I284-Y310 PolarHBondContact O-N 3.04Å; S285-Y310 CarbonylContact C-O 3.54Å; S285-Y310 WeakPolarHBondContact CA-O 3.49Å; S285-Y310 VanDerWaalsContact CB-O 3.23Å; S285-Y310 WeakPolarHBondContact CB-O 3.46Å; I286-Y310 PolarHBondContact N-O 3.04Å; Y310-H312 HydrophobicContact CE1-CB 3.91Å; Y310-R431 HydrophobicContact CD1-CB 3.73Å; Y310-R431 HydrophobicContact CD1-CG 3.84Å; Y310-R431 HydrophobicContact CD2-CB 3.77Å; Y310-R431 HydrophobicContact CE1-CB 4.03Å; Y310-R431 HydrophobicContact CE1-CG 4.14Å; Y310-R431 HydrophobicContact CE2-CB 4.07Å; Y310-R431 HydrophobicContact CG-CB 3.58Å; Y310-R431 HydrophobicContact CG-CG 4.16Å; Y310-A432 WeakPolarHBondContact CE2-O 3.21Å; Y310-F433 HydrophobicContact CD2-CD1 4.12Å; Y310-F433 HydrophobicContact CE2-CD1 4.35Å
311	I	94.4	Very high	91.7	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.4	168.6	-64.2	172.1	0	0	0	106.7	I286 L308 A315 F316 L327 L332 T339	I286-I311 HydrophobicContact CB-CG1 4.38Å; I286-I311 HydrophobicContact CB-CG2 4.46Å; I286-I311 HydrophobicContact CD1-CD1 4.41Å; I286-I311 HydrophobicContact CD1-CG1 4.29Å; I286-I311 HydrophobicContact CG1-CG1 4.39Å; L308-I311 HydrophobicContact CD1-CG1 4.34Å; I311-A315 HydrophobicContact CG2-CB 3.74Å; I311-F316 HydrophobicContact CD1-CZ 4.4Å; I311-F316 HydrophobicContact CG2-CE2 3.81Å; I311-F316 HydrophobicContact CG2-CZ 3.83Å; I311-L327 HydrophobicContact CD1-CD1 3.78Å; I311-L327 HydrophobicContact CD1-CD2 3.71Å; I311-L327 HydrophobicContact CD1-CG 4.36Å; I311-L332 HydrophobicContact CD1-CD1 3.92Å; I311-L332 HydrophobicContact CD1-CD2 4Å; I311-L332 HydrophobicContact CG1-CD2 3.95Å; I311-T339 HydrophobicContact CG2-CG2 3.9Å
312	H	92.6	Very high	91.8	Very high	21 Å²	21	34.6 Å²	34.6	10%	0.097	17%	0.169	C	C	.	.			trans	-62.8	143	-176.5	-172.2	-95.8	0	0	0	111.5	I286 S288 Y310 N314 A315	I286-H312 WeakPolarHBondContact O-CB 3.46Å; I286-H312 PolarHBondContact O-N 2.8Å; S288-H312 WeakPolarHBondContact CA-ND1 3.47Å; S288-H312 WeakPolarHBondContact CB-CE1 3.44Å; S288-H312 WeakPolarHBondContact CB-ND1 3.49Å; Y310-H312 HydrophobicContact CE1-CB 3.91Å; H312-N314 PolarHBondContact ND1-N 3.47Å; H312-N314 PolarHBondContact O-N 2.91Å; H312-A315 HydrophobicContact CB-CB 4.26Å; H312-A315 VanDerWaalsContact O-CB 3.28Å; H312-A315 WeakPolarHBondContact O-CB 3.42Å; H312-A315 PolarHBondContact O-N 2.93Å
313	P	92.3	Very high	92	Very high	10 Å²	10	37.3 Å²	37.3	7%	0.065	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-33.6	176.6	-33.4	38.3	0	0	0	115	H336 I338 T339	P313-H336 HydrophobicContact CG-CB 4.28Å; P313-I338 HydrophobicContact CB-CB 4.24Å; P313-I338 HydrophobicContact CB-CG2 4.45Å; P313-I338 CarbonylContact O-C 3.29Å; P313-T339 WeakPolarHBondContact CA-OG1 3.28Å; P313-T339 VanDerWaalsContact O-CA 3.31Å; P313-T339 WeakPolarHBondContact O-CA 3.09Å; P313-T339 PolarHBondContact O-N 2.82Å
314	N	92.4	Very high	92.2	Very high	42 Å²	42	38 Å²	38	23%	0.225	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	24	178.2	-63.2	-58.5	0	0	0	114.1	F289 H312 Y317	F289-N314 HydrophobicContact CE1-CB 4.21Å; F289-N314 HydrophobicContact CE2-CB 4.3Å; F289-N314 HydrophobicContact CZ-CB 4Å; F289-N314 PolarHBondContact N-O 2.82Å; H312-N314 PolarHBondContact ND1-N 3.47Å; H312-N314 PolarHBondContact O-N 2.91Å; N314-Y317 HydrophobicContact CB-CD2 4.32Å; N314-Y317 WeakPolarHBondContact OD1-CD2 3.38Å
315	A	93.6	Very high	92.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-42.8	179.6	0	0	0	0	0	113.1	I286 D287 L291 I311 H312	I286-A315 HydrophobicContact CB-CB 4.46Å; I286-A315 HydrophobicContact CG2-CB 3.9Å; D287-A315 WeakPolarHBondContact O-CA 3.29Å; L291-A315 PolarHBondContact N-O 3.34Å; I311-A315 HydrophobicContact CG2-CB 3.74Å; H312-A315 HydrophobicContact CB-CB 4.26Å; H312-A315 VanDerWaalsContact O-CB 3.28Å; H312-A315 WeakPolarHBondContact O-CB 3.42Å; H312-A315 PolarHBondContact O-N 2.93Å
316	F	92.6	Very high	92.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	30.4	-174.5	-50.4	-40.5	0	0	0	112.5	I286 L291 I300 I311 K318 L319 L325 T339 L343	I286-F316 HydrophobicContact CD1-CE1 4.15Å; I286-F316 HydrophobicContact CD1-CZ 4.07Å; I286-F316 HydrophobicContact CG2-CE1 4.22Å; L291-F316 HydrophobicContact CB-CD1 4.38Å; L291-F316 HydrophobicContact CD1-CD1 3.98Å; L291-F316 HydrophobicContact CD1-CE1 3.94Å; I300-F316 HydrophobicContact CD1-CD1 3.99Å; I300-F316 HydrophobicContact CD1-CE1 4.16Å; I300-F316 HydrophobicContact CD1-CG 4.47Å; I311-F316 HydrophobicContact CD1-CZ 4.4Å; I311-F316 HydrophobicContact CG2-CE2 3.81Å; I311-F316 HydrophobicContact CG2-CZ 3.83Å; F316-K318 PolarHBondContact O-N 2.8Å; F316-K318 VanDerWaalsContact O-N 3.1Å; F316-L319 HydrophobicContact CB-CD1 4.01Å; F316-L319 PolarHBondContact O-N 2.98Å; F316-L325 HydrophobicContact CD2-CD1 4.37Å; F316-L325 HydrophobicContact CD2-CD2 4.02Å; F316-L325 HydrophobicContact CE2-CD1 3.76Å; F316-L325 HydrophobicContact CE2-CD2 3.79Å; F316-L325 HydrophobicContact CE2-CG 4.43Å; F316-L325 HydrophobicContact CZ-CD1 4.03Å; F316-T339 HydrophobicContact CD2-CG2 3.52Å; F316-T339 HydrophobicContact CE2-CG2 3.78Å; F316-L343 HydrophobicContact CB-CD1 4.32Å; F316-L343 HydrophobicContact CB-CD2 4.06Å; F316-L343 VanDerWaalsContact O-CD2 3.24Å; F316-L343 WeakPolarHBondContact O-CD2 3.25Å
317	Y	89.8	Confident	93.1	Very high	85 Å²	85	31.8 Å²	31.8	33%	0.333	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	113.6	-163.6	-177.3	-95.2	0	0	0	113.9	F289 N314 L319	F289-Y317 HydrophobicContact CD1-CD1 4.1Å; F289-Y317 AromaticContact CD1-CG 3.97Å; F289-Y317 HydrophobicContact CD1-CG 3.97Å; F289-Y317 AromaticContact CE1-CD1 3.73Å; F289-Y317 HydrophobicContact CE1-CD1 3.73Å; F289-Y317 AromaticContact CE1-CD2 3.95Å; F289-Y317 HydrophobicContact CE1-CD2 3.95Å; F289-Y317 HydrophobicContact CE1-CE1 4.23Å; F289-Y317 HydrophobicContact CE1-CE2 4.42Å; F289-Y317 AromaticContact CE1-CG 3.56Å; F289-Y317 HydrophobicContact CE1-CG 3.56Å; N314-Y317 HydrophobicContact CB-CD2 4.32Å; N314-Y317 WeakPolarHBondContact OD1-CD2 3.38Å; Y317-L319 PolarHBondContact O-N 3.17Å
318	K	86.6	Confident	93.4	Very high	129 Å²	129	30 Å²	30	56%	0.561	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	37.3	174.4	-64.2	-177.2	177.8	159.2	0	115.3	F316 P320 S342	F316-K318 PolarHBondContact O-N 2.8Å; F316-K318 VanDerWaalsContact O-N 3.1Å; K318-P320 VanDerWaalsContact O-CD 3.32Å; K318-P320 WeakPolarHBondContact O-CD 3.34Å; K318-S342 WeakPolarHBondContact CA-O 3.49Å; K318-S342 PolarHBondContact N-O 2.86Å
319	L	91.3	Very high	93.4	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.15	C	C	.	.			trans	-63.9	114.7	166.3	-68.1	170.3	0	0	0	109.7	L291 L294 L297 I300 F316 Y317 R321 L322 L343	L291-L319 HydrophobicContact CB-CD1 4.38Å; L291-L319 WeakPolarHBondContact O-CD2 3.37Å; L294-L319 HydrophobicContact CB-CD2 3.78Å; L294-L319 WeakPolarHBondContact O-CD2 3.44Å; L297-L319 HydrophobicContact CD2-CD1 4Å; L297-L319 HydrophobicContact CD2-CD2 4.38Å; I300-L319 HydrophobicContact CD1-CD1 4Å; F316-L319 HydrophobicContact CB-CD1 4.01Å; F316-L319 PolarHBondContact O-N 2.98Å; Y317-L319 PolarHBondContact O-N 3.17Å; L319-R321 PolarHBondContact O-N 3.2Å; L319-L322 HydrophobicContact CB-CB 3.95Å; L319-L322 HydrophobicContact CD1-CD2 4.1Å; L319-L343 HydrophobicContact CB-CD2 3.83Å; L319-L343 HydrophobicContact CD1-CD2 4.44Å
320	P	90.9	Very high	93.5	Very high	57 Å²	57	31.3 Å²	31.3	37%	0.37	15%	0.152	S	C	.	.	S	Bend	trans	-81.6	-19.4	-162.8	31.8	-36.1	0	0	0	113.8	P295 K318 N345	P295-P320 HydrophobicContact CB-CG 4.47Å; K318-P320 VanDerWaalsContact O-CD 3.32Å; K318-P320 WeakPolarHBondContact O-CD 3.34Å; P320-N345 PolarHBondContact O-ND2 3.09Å
321	R	94.4	Very high	93.6	Very high	112 Å²	112	31.4 Å²	31.4	42%	0.423	16%	0.156	S	C	.	.	S	Bend	trans	-115.6	2.1	-178	-64.5	-166.9	-163.8	158.1	8.1	114.5	P295 E296 L297 T298 L319 E323	P295-R321 WeakPolarHBondContact O-CG 3.44Å; E296-R321 IonicContact OE1-CZ 3.08Å; E296-R321 IonicContact OE1-NH1 2.65Å; E296-R321 PolarHBondContact OE1-NH1 3.28Å; E296-R321 IonicContact OE1-NH2 3.14Å; E296-R321 PolarHBondContact OE1-NH2 2.98Å; L297-R321 CarbonylContact O-C 3.5Å; T298-R321 WeakPolarHBondContact CA-O 3.47Å; T298-R321 HydrophobicContact CG2-CB 4.3Å; L319-R321 PolarHBondContact O-N 3.2Å; R321-E323 VanDerWaalsContact O-CG 3.23Å; R321-E323 WeakPolarHBondContact O-CG 3.48Å; R321-E323 PolarHBondContact O-N 3.08Å; R321-E323 VanDerWaalsContact O-N 3.15Å
322	L	95.4	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.			trans	-67.8	115.4	-174.4	-169.3	78.5	0	0	0	110.3	L297 I300 L319 L343 N345 L346	L297-L322 HydrophobicContact CD2-CD1 4.21Å; L297-L322 HydrophobicContact CG-CD1 4.23Å; L297-L322 VanDerWaalsContact O-CA 3.24Å; L297-L322 WeakPolarHBondContact O-CA 3.43Å; L297-L322 PolarHBondContact O-N 3.11Å; I300-L322 HydrophobicContact CB-CD1 4.41Å; I300-L322 HydrophobicContact CD1-CD1 3.77Å; I300-L322 HydrophobicContact CD1-CD2 3.86Å; I300-L322 HydrophobicContact CG1-CD1 3.75Å; L319-L322 HydrophobicContact CB-CB 3.95Å; L319-L322 HydrophobicContact CD1-CD2 4.1Å; L322-L343 HydrophobicContact CB-CD2 4.3Å; L322-L343 HydrophobicContact CD2-CD1 3.8Å; L322-L343 HydrophobicContact CD2-CD2 3.8Å; L322-L343 HydrophobicContact CD2-CG 4.42Å; L322-N345 CarbonylContact O-C 3.54Å; L322-N345 VanDerWaalsContact O-C 3.25Å; L322-L346 HydrophobicContact CD2-CD1 4.31Å; L322-L346 HydrophobicContact CG-CD1 4.4Å; L322-L346 VanDerWaalsContact O-CA 3.29Å; L322-L346 WeakPolarHBondContact O-CA 2.85Å; L322-L346 PolarHBondContact O-N 2.94Å
323	E	95.1	Very high	93.6	Very high	57 Å²	57	30.5 Å²	30.5	27%	0.266	15%	0.153	S	C	.	.			trans	-105.3	-30.8	-177.7	-50.4	-144.1	136	0	0	112.2	T298 R321 R347 E348	T298-E323 PolarHBondContact O-N 3.36Å; R321-E323 VanDerWaalsContact O-CG 3.23Å; R321-E323 WeakPolarHBondContact O-CG 3.48Å; R321-E323 PolarHBondContact O-N 3.08Å; R321-E323 VanDerWaalsContact O-N 3.15Å; E323-R347 HydrophobicContact CB-CG 4.24Å; E323-R347 VanDerWaalsContact CD-CZ 3.42Å; E323-R347 VanDerWaalsContact CD-NH2 3.29Å; E323-R347 PolarHBondContact O-N 3.48Å; E323-R347 IonicContact OE1-CZ 2.72Å; E323-R347 IonicContact OE1-NE 3.81Å; E323-R347 PolarHBondContact OE1-NE 2.89Å; E323-R347 VanDerWaalsContact OE1-NE 3.09Å; E323-R347 IonicContact OE1-NH2 3.4Å; E323-R347 PolarHBondContact OE1-NH2 3.3Å; E323-R347 IonicContact OE2-CZ 2.66Å; E323-R347 IonicContact OE2-NE 2.68Å; E323-R347 PolarHBondContact OE2-NE 3.27Å; E323-R347 VanDerWaalsContact OE2-NE 3.14Å; E323-R347 IonicContact OE2-NH1 3.41Å; E323-R347 IonicContact OE2-NH2 3.41Å; E323-R347 PolarHBondContact OE2-NH2 2.74Å; E323-E348 PolarHBondContact O-N 2.73Å
324	T	96.1	Very high	93.6	Very high	27 Å²	27	30.6 Å²	30.6	17%	0.166	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.9	-172.8	-62.1	0	0	0	0	112.3	T298 K299 I300 M326 E348 M375	T298-T324 PolarHBondContact O-N 3.13Å; T298-T324 VanDerWaalsContact O-N 3.15Å; K299-T324 WeakPolarHBondContact CA-O 3.29Å; K299-T324 HydrophobicContact CG-CG2 4.27Å; I300-T324 PolarHBondContact N-O 3.48Å; I300-T324 VanDerWaalsContact N-O 3.07Å; T324-M326 HydrophobicContact CG2-CG 3.99Å; T324-M326 HydrophobicContact CG2-SD 4.42Å; T324-E348 WeakPolarHBondContact CA-O 3.3Å; T324-M375 HydrophobicContact CG2-CE 4.08Å
325	L	96.1	Very high	93.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	107.8	-179.4	175.8	61.1	0	0	0	110.4	I300 F316 L327 L346 E348 V349 S350	I300-L325 HydrophobicContact CB-CD1 3.94Å; I300-L325 HydrophobicContact CD1-CD1 4.48Å; I300-L325 HydrophobicContact CG2-CD1 3.98Å; F316-L325 HydrophobicContact CD2-CD1 4.37Å; F316-L325 HydrophobicContact CD2-CD2 4.02Å; F316-L325 HydrophobicContact CE2-CD1 3.76Å; F316-L325 HydrophobicContact CE2-CD2 3.79Å; F316-L325 HydrophobicContact CE2-CG 4.43Å; F316-L325 HydrophobicContact CZ-CD1 4.03Å; L325-L327 HydrophobicContact CD1-CD1 4.36Å; L325-L327 HydrophobicContact CD1-CD2 3.93Å; L325-L327 HydrophobicContact CD1-CG 4.09Å; L325-L327 HydrophobicContact CD2-CD1 4.11Å; L325-L327 HydrophobicContact CG-CD1 4.04Å; L325-L327 HydrophobicContact CG-CD2 4.39Å; L325-L327 HydrophobicContact CG-CG 3.99Å; L325-L346 HydrophobicContact CB-CD1 3.88Å; L325-E348 PolarHBondContact N-O 3.06Å; L325-V349 HydrophobicContact CB-CG2 4.46Å; L325-V349 WeakPolarHBondContact O-CA 3.24Å; L325-S350 PolarHBondContact O-N 3.42Å
326	M	96.4	Very high	93.7	Very high	42 Å²	42	29.8 Å²	29.8	21%	0.207	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.1	-176.1	-59.7	177	70.8	0	0	111.2	I300 E301 A302 T303 T324 M375	I300-M326 PolarHBondContact O-N 2.91Å; E301-M326 HydrophobicContact CG-SD 4.02Å; A302-M326 CarbonylContact C-O 3.58Å; A302-M326 PolarHBondContact N-O 2.79Å; T303-M326 HydrophobicContact CG2-CB 3.69Å; T324-M326 HydrophobicContact CG2-CG 3.99Å; T324-M326 HydrophobicContact CG2-SD 4.42Å; M326-M375 HydrophobicContact CE-SD 4.42Å; M326-M375 HydrophobicContact CG-SD 4.5Å
327	L	96.4	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.			trans	-128.4	24.2	-174.1	-56.4	176.1	0	0	0	112.5	A302 I311 L325 N330 L332 L335 S350 M351 N354	A302-L327 HydrophobicContact CB-CD2 3.98Å; I311-L327 HydrophobicContact CD1-CD1 3.78Å; I311-L327 HydrophobicContact CD1-CD2 3.71Å; I311-L327 HydrophobicContact CD1-CG 4.36Å; L325-L327 HydrophobicContact CD1-CD1 4.36Å; L325-L327 HydrophobicContact CD1-CD2 3.93Å; L325-L327 HydrophobicContact CD1-CG 4.09Å; L325-L327 HydrophobicContact CD2-CD1 4.11Å; L325-L327 HydrophobicContact CG-CD1 4.04Å; L325-L327 HydrophobicContact CG-CD2 4.39Å; L325-L327 HydrophobicContact CG-CG 3.99Å; L327-N330 PolarHBondContact O-ND2 2.67Å; L327-L332 HydrophobicContact CB-CD1 3.85Å; L327-L332 HydrophobicContact CD1-CD1 4.22Å; L327-L332 HydrophobicContact CG-CD1 4.48Å; L327-L335 HydrophobicContact CD1-CD1 4.14Å; L327-L335 HydrophobicContact CD1-CD2 4.09Å; L327-S350 CarbonylContact C-O 3.55Å; L327-S350 WeakPolarHBondContact CA-O 3.43Å; L327-S350 WeakPolarHBondContact CB-O 3.48Å; L327-S350 PolarHBondContact N-O 3.29Å; L327-M351 HydrophobicContact CB-CG 4.25Å; L327-N354 PolarHBondContact O-ND2 2.73Å
328	N	95.1	Very high	93.7	Very high	18 Å²	18	32.6 Å²	32.6	10%	0.096	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	149.5	-179	52.5	-91.3	0	0	0	113.7	T303 N304 S350 H352	T303-N328 CarbonylContact C-O 3.54Å; T303-N328 WeakPolarHBondContact CA-O 3.11Å; T303-N328 WeakPolarHBondContact CB-O 3.23Å; T303-N328 WeakPolarHBondContact CG2-OD1 3.34Å; N304-N328 PolarHBondContact N-O 3.38Å; N328-S350 WeakPolarHBondContact CB-OG 3.39Å; N328-S350 VanDerWaalsContact OD1-CB 3.24Å; N328-S350 WeakPolarHBondContact OD1-CB 3.48Å; N328-S350 PolarHBondContact OD1-OG 2.67Å; N328-H352 WeakPolarHBondContact CA-O 3.43Å; N328-H352 VanDerWaalsContact CB-NE2 3.34Å; N328-H352 WeakPolarHBondContact CB-NE2 3.26Å; N328-H352 VanDerWaalsContact CB-O 3.28Å; N328-H352 WeakPolarHBondContact CB-O 3.3Å
329	G	93.7	Very high	93.9	Very high	20 Å²	20	26.4 Å²	26.4	21%	0.206	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	26.3	176.3	0	0	0	0	0	114.8	N304 H352 S353	N304-G329 VanDerWaalsContact CA-O 3.28Å; N304-G329 WeakPolarHBondContact CA-O 3.35Å; G329-H352 PolarHBondContact N-O 3.45Å; G329-H352 VanDerWaalsContact N-O 3.09Å; G329-S353 VanDerWaalsContact CA-O 3.24Å; G329-S353 WeakPolarHBondContact CA-O 3.26Å; G329-S353 PolarHBondContact N-O 2.85Å
330	N	95.4	Very high	94	Very high	9 Å²	9	26.5 Å²	26.5	5%	0.048	14%	0.137	C	C	.	.	S	Bend	trans	-111.7	-173	-178.1	-55.7	-39.4	0	0	0	111.5	A302 N304 N305 L308 L327 L332 N354 P355	A302-N330 PolarHBondContact O-ND2 2.97Å; A302-N330 PolarHBondContact O-OD1 2.88Å; N304-N330 PolarHBondContact N-OD1 3.19Å; N305-N330 WeakPolarHBondContact CA-OD1 3.22Å; N305-N330 VanDerWaalsContact CB-OD1 3.31Å; N305-N330 WeakPolarHBondContact CB-OD1 3.5Å; N305-N330 PolarHBondContact N-OD1 3.11Å; N305-N330 WeakPolarHBondContact O-CA 3.41Å; N305-N330 PolarHBondContact O-OD1 2.98Å; L308-N330 HydrophobicContact CB-CB 4.19Å; L308-N330 HydrophobicContact CG-CB 4.48Å; L308-N330 WeakPolarHBondContact O-CB 3.29Å; L327-N330 PolarHBondContact O-ND2 2.67Å; N330-L332 HydrophobicContact CB-CD1 4.36Å; N330-L332 HydrophobicContact CB-CG 4.06Å; N330-N354 WeakPolarHBondContact CA-OD1 3.21Å; N330-N354 VanDerWaalsContact CB-OD1 3.29Å; N330-N354 WeakPolarHBondContact CB-OD1 3.35Å; N330-N354 PolarHBondContact N-OD1 2.99Å; N330-N354 PolarHBondContact O-OD1 2.96Å; N330-N354 VanDerWaalsContact O-OD1 3.06Å; N330-P355 WeakPolarHBondContact O-CD 3.34Å
331	A	94.1	Very high	93.9	Very high	19 Å²	19	29.2 Å²	29.2	16%	0.157	15%	0.145	C	C	.	.			trans	-99.8	23.9	174.5	0	0	0	0	0	113	L308 S309 S333 E412	L308-A331 CarbonylContact O-C 3.32Å; L308-A331 WeakPolarHBondContact O-CA 3.45Å; L308-A331 PolarHBondContact O-N 2.8Å; S309-A331 WeakPolarHBondContact CA-O 3.23Å; S309-A331 WeakPolarHBondContact CB-O 3.44Å; A331-S333 PolarHBondContact O-N 3.2Å; A331-E412 HydrophobicContact CB-CG 4.49Å
332	L	94.6	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.			trans	-73.5	112.7	-175.6	-60.7	170.3	0	0	0	110.8	L308 I311 L327 N330 A334 N354	L308-L332 HydrophobicContact CG-CD2 4.21Å; L308-L332 PolarHBondContact O-N 3.06Å; I311-L332 HydrophobicContact CD1-CD1 3.92Å; I311-L332 HydrophobicContact CD1-CD2 4Å; I311-L332 HydrophobicContact CG1-CD2 3.95Å; L327-L332 HydrophobicContact CB-CD1 3.85Å; L327-L332 HydrophobicContact CD1-CD1 4.22Å; L327-L332 HydrophobicContact CG-CD1 4.48Å; N330-L332 HydrophobicContact CB-CD1 4.36Å; N330-L332 HydrophobicContact CB-CG 4.06Å; L332-A334 VanDerWaalsContact C-N 3.35Å; L332-N354 VanDerWaalsContact CB-OD1 3.31Å; L332-N354 WeakPolarHBondContact CB-OD1 3.37Å; L332-N354 PolarHBondContact N-OD1 2.81Å
333	S	93.4	Very high	93.5	Very high	12 Å²	12	25.4 Å²	25.4	8%	0.084	14%	0.135	C	C	.	.	S	Bend	trans	-75.1	-23	172.3	-58.2	0	0	0	0	113.6	A331 P355 I356 R357	A331-S333 PolarHBondContact O-N 3.2Å; S333-P355 WeakPolarHBondContact CA-O 3.42Å; S333-I356 CarbonylContact O-C 3.56Å; S333-I356 WeakPolarHBondContact O-CA 3.43Å; S333-R357 PolarHBondContact O-N 2.6Å
334	A	93.3	Very high	93.3	Very high	12 Å²	12	27.1 Å²	27.1	10%	0.099	15%	0.151	C	C	.	.			trans	-158.5	162.2	177.6	0	0	0	0	0	111.9	L332 V361 V362 F433	L332-A334 VanDerWaalsContact C-N 3.35Å; A334-V361 HydrophobicContact CB-CB 4.17Å; A334-V361 HydrophobicContact CB-CG1 3.64Å; A334-V362 HydrophobicContact CB-CG1 3.74Å; A334-F433 HydrophobicContact CB-CD2 4.22Å; A334-F433 HydrophobicContact CB-CE2 4.08Å
335	L	93.8	Very high	93.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.164	C	C	.	.			trans	-124.5	121.5	164.3	-176.2	67.1	0	0	0	108.4	L327 T339 V340 M351 W364 M365	L327-L335 HydrophobicContact CD1-CD1 4.14Å; L327-L335 HydrophobicContact CD1-CD2 4.09Å; L335-T339 HydrophobicContact CD1-CG2 3.72Å; L335-V340 HydrophobicContact CD2-CG2 3.67Å; L335-V340 HydrophobicContact CG-CG2 4.26Å; L335-M351 HydrophobicContact CB-CE 3.6Å; L335-M351 HydrophobicContact CB-SD 3.61Å; L335-M351 HydrophobicContact CD2-SD 3.61Å; L335-M351 HydrophobicContact CG-SD 4.25Å; L335-W364 HydrophobicContact CD2-CZ2 4.39Å; L335-W364 PolarHBondContact O-NE1 3.26Å; L335-M365 HydrophobicContact CB-CE 4.03Å
336	H	93.2	Very high	93	Very high	22 Å²	22	30.6 Å²	30.6	10%	0.102	17%	0.168	C	C	.	.			trans	-74.3	144.1	-174.9	-172.1	-109	0	0	0	111.6	P313 I338 T339 V361	P313-H336 HydrophobicContact CG-CB 4.28Å; H336-I338 PolarHBondContact O-N 2.81Å; H336-I338 VanDerWaalsContact O-N 3.13Å; H336-T339 WeakPolarHBondContact O-CB 3.42Å; H336-T339 PolarHBondContact O-N 3.1Å; H336-T339 VanDerWaalsContact O-N 3.08Å; H336-T339 PolarHBondContact O-OG1 3.44Å; H336-V361 HydrophobicContact CB-CG1 4.37Å
337	R	91.3	Very high	92.9	Very high	87 Å²	87	35.4 Å²	35.4	33%	0.328	18%	0.184	S	C	.	.	H	α-helix	trans	-55.4	-37.3	-174.8	70.2	171	176.1	-96.1	-17.2	113.4	T339 V340 E341 W364 E435	R337-T339 VanDerWaalsContact C-N 3.28Å; R337-T339 PolarHBondContact O-N 3.03Å; R337-V340 CarbonylContact O-C 3.53Å; R337-V340 WeakPolarHBondContact O-CA 3.41Å; R337-V340 PolarHBondContact O-N 2.86Å; R337-E341 HydrophobicContact CB-CG 4.46Å; R337-E341 VanDerWaalsContact CD-OE2 3.23Å; R337-E341 WeakPolarHBondContact CD-OE2 3.1Å; R337-E341 WeakPolarHBondContact CG-OE2 3.24Å; R337-E341 IonicContact NE-OE2 3.86Å; R337-E341 WeakPolarHBondContact O-CB 3.33Å; R337-E341 WeakPolarHBondContact O-CG 3.45Å; R337-E341 PolarHBondContact O-N 3.13Å; R337-W364 HydrophobicContact CB-CB 3.99Å; R337-W364 HydrophobicContact CB-CD2 4.32Å; R337-W364 HydrophobicContact CB-CG 3.69Å; R337-E435 IonicContact CZ-OE2 3.24Å; R337-E435 IonicContact NH1-OE2 2.83Å; R337-E435 PolarHBondContact NH1-OE2 3.09Å; R337-E435 IonicContact NH2-OE1 3.57Å; R337-E435 IonicContact NH2-OE2 2.65Å; R337-E435 PolarHBondContact NH2-OE2 3.08Å
338	I	90.8	Very high	92.8	Very high	57 Å²	57	37.7 Å²	37.7	29%	0.292	20%	0.195	S	C	.	.	H	α-helix	trans	-65.8	-31.7	-176.5	-60.4	179.4	0	0	0	111.7	P313 H336 V340 S342	P313-I338 HydrophobicContact CB-CB 4.24Å; P313-I338 HydrophobicContact CB-CG2 4.45Å; P313-I338 CarbonylContact O-C 3.29Å; H336-I338 PolarHBondContact O-N 2.81Å; H336-I338 VanDerWaalsContact O-N 3.13Å; I338-V340 PolarHBondContact O-N 2.96Å; I338-V340 VanDerWaalsContact O-N 3.09Å; I338-S342 VanDerWaalsContact O-CB 3.22Å; I338-S342 WeakPolarHBondContact O-CB 3.39Å; I338-S342 PolarHBondContact O-N 3.02Å; I338-S342 PolarHBondContact O-OG 3.26Å
339	T	92.3	Very high	92.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-23.2	175.1	-46	0	0	0	0	111.8	I311 P313 F316 L335 H336 R337 L343	I311-T339 HydrophobicContact CG2-CG2 3.9Å; P313-T339 WeakPolarHBondContact CA-OG1 3.28Å; P313-T339 VanDerWaalsContact O-CA 3.31Å; P313-T339 WeakPolarHBondContact O-CA 3.09Å; P313-T339 PolarHBondContact O-N 2.82Å; F316-T339 HydrophobicContact CD2-CG2 3.52Å; F316-T339 HydrophobicContact CE2-CG2 3.78Å; L335-T339 HydrophobicContact CD1-CG2 3.72Å; H336-T339 WeakPolarHBondContact O-CB 3.42Å; H336-T339 PolarHBondContact O-N 3.1Å; H336-T339 VanDerWaalsContact O-N 3.08Å; H336-T339 PolarHBondContact O-OG1 3.44Å; R337-T339 VanDerWaalsContact C-N 3.28Å; R337-T339 PolarHBondContact O-N 3.03Å; T339-L343 WeakPolarHBondContact O-CD1 3.29Å
340	V	91.6	Very high	92.8	Very high	4 Å²	4	36 Å²	36	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-106.6	-45.2	-177.6	171.3	0	0	0	0	111.7	L335 R337 I338 S342 L343 L346 W364 I372	L335-V340 HydrophobicContact CD2-CG2 3.67Å; L335-V340 HydrophobicContact CG-CG2 4.26Å; R337-V340 CarbonylContact O-C 3.53Å; R337-V340 WeakPolarHBondContact O-CA 3.41Å; R337-V340 PolarHBondContact O-N 2.86Å; I338-V340 PolarHBondContact O-N 2.96Å; I338-V340 VanDerWaalsContact O-N 3.09Å; V340-S342 PolarHBondContact O-N 2.91Å; V340-L343 WeakPolarHBondContact O-CB 3.04Å; V340-L343 PolarHBondContact O-N 2.79Å; V340-L343 VanDerWaalsContact O-N 3.11Å; V340-L346 HydrophobicContact CG1-CD2 4.1Å; V340-W364 HydrophobicContact CB-CH2 4.16Å; V340-W364 HydrophobicContact CB-CZ2 4.42Å; V340-W364 HydrophobicContact CG1-CH2 3.98Å; V340-W364 HydrophobicContact CG1-CZ3 4.05Å; V340-W364 HydrophobicContact CG2-CH2 3.78Å; V340-W364 HydrophobicContact CG2-CZ2 3.9Å; V340-I372 HydrophobicContact CG1-CD1 3.16Å
341	E	89.6	Confident	92.7	Very high	114 Å²	114	35.6 Å²	35.6	53%	0.533	18%	0.178	S	C	.	.	H	α-helix	trans	-65.3	-19	177.8	-69.2	177.1	150.4	0	0	113.2	R337 L343	R337-E341 HydrophobicContact CB-CG 4.46Å; R337-E341 VanDerWaalsContact CD-OE2 3.23Å; R337-E341 WeakPolarHBondContact CD-OE2 3.1Å; R337-E341 WeakPolarHBondContact CG-OE2 3.24Å; R337-E341 IonicContact NE-OE2 3.86Å; R337-E341 WeakPolarHBondContact O-CB 3.33Å; R337-E341 WeakPolarHBondContact O-CG 3.45Å; R337-E341 PolarHBondContact O-N 3.13Å; E341-L343 VanDerWaalsContact C-N 3.3Å
342	S	89.8	Confident	92.7	Very high	22 Å²	22	36 Å²	36	15%	0.154	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.7	174.3	62.2	0	0	0	0	114.6	K318 I338 V340	K318-S342 WeakPolarHBondContact CA-O 3.49Å; K318-S342 PolarHBondContact N-O 2.86Å; I338-S342 VanDerWaalsContact O-CB 3.22Å; I338-S342 WeakPolarHBondContact O-CB 3.39Å; I338-S342 PolarHBondContact O-N 3.02Å; I338-S342 PolarHBondContact O-OG 3.26Å; V340-S342 PolarHBondContact O-N 2.91Å
343	L	92.6	Very high	92.7	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.052	20%	0.204	C	C	.	.			trans	-109.8	102	-176.4	-64.3	169.7	0	0	0	110.8	F316 L319 L322 T339 V340 E341 N345 L346	F316-L343 HydrophobicContact CB-CD1 4.32Å; F316-L343 HydrophobicContact CB-CD2 4.06Å; F316-L343 VanDerWaalsContact O-CD2 3.24Å; F316-L343 WeakPolarHBondContact O-CD2 3.25Å; L319-L343 HydrophobicContact CB-CD2 3.83Å; L319-L343 HydrophobicContact CD1-CD2 4.44Å; L322-L343 HydrophobicContact CB-CD2 4.3Å; L322-L343 HydrophobicContact CD2-CD1 3.8Å; L322-L343 HydrophobicContact CD2-CD2 3.8Å; L322-L343 HydrophobicContact CD2-CG 4.42Å; T339-L343 WeakPolarHBondContact O-CD1 3.29Å; V340-L343 WeakPolarHBondContact O-CB 3.04Å; V340-L343 PolarHBondContact O-N 2.79Å; V340-L343 VanDerWaalsContact O-N 3.11Å; E341-L343 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 3.13Å; L343-L346 HydrophobicContact CB-CB 3.86Å; L343-L346 HydrophobicContact CB-CD2 4.44Å; L343-L346 HydrophobicContact CD1-CD1 4.35Å; L343-L346 HydrophobicContact CD1-CD2 3.87Å; L343-L346 HydrophobicContact CD1-CG 4.5Å
344	P	90.1	Very high	92.7	Very high	93 Å²	93	40 Å²	40	60%	0.604	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.2	-166	28.7	-36.5	0	0	0	115.1
345	N	92.8	Very high	92.7	Very high	83 Å²	83	41.8 Å²	41.8	44%	0.444	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	11.2	-176	-74.5	-56.7	0	0	0	113.4	P320 L322 L343 R347	P320-N345 PolarHBondContact O-ND2 3.09Å; L322-N345 CarbonylContact O-C 3.54Å; L322-N345 VanDerWaalsContact O-C 3.25Å; L343-N345 PolarHBondContact O-N 3.13Å; N345-R347 VanDerWaalsContact O-CG 3.3Å; N345-R347 WeakPolarHBondContact O-CG 3.34Å; N345-R347 PolarHBondContact O-N 3.18Å
346	L	93.8	Very high	92.8	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.084	21%	0.214	C	C	.	.			trans	-66.3	124.9	-178.4	-170.5	73.1	0	0	0	110.9	L322 L325 V340 L343 V349 I372	L322-L346 HydrophobicContact CD2-CD1 4.31Å; L322-L346 HydrophobicContact CG-CD1 4.4Å; L322-L346 VanDerWaalsContact O-CA 3.29Å; L322-L346 WeakPolarHBondContact O-CA 2.85Å; L322-L346 PolarHBondContact O-N 2.94Å; L325-L346 HydrophobicContact CB-CD1 3.88Å; V340-L346 HydrophobicContact CG1-CD2 4.1Å; L343-L346 HydrophobicContact CB-CB 3.86Å; L343-L346 HydrophobicContact CB-CD2 4.44Å; L343-L346 HydrophobicContact CD1-CD1 4.35Å; L343-L346 HydrophobicContact CD1-CD2 3.87Å; L343-L346 HydrophobicContact CD1-CG 4.5Å; L346-V349 HydrophobicContact CD1-CG2 4.5Å; L346-V349 HydrophobicContact CD2-CG2 3.6Å; L346-V349 HydrophobicContact CG-CG2 4.16Å; L346-I372 HydrophobicContact CD2-CD1 4.06Å
347	R	92.8	Very high	92.8	Very high	143 Å²	143	42 Å²	42	54%	0.54	21%	0.214	S	C	.	.			trans	-110.7	-44.8	-176.4	-51	-173.4	-173.1	-173.3	8	111.8	E323 N345 I372 R373	E323-R347 HydrophobicContact CB-CG 4.24Å; E323-R347 VanDerWaalsContact CD-CZ 3.42Å; E323-R347 VanDerWaalsContact CD-NH2 3.29Å; E323-R347 PolarHBondContact O-N 3.48Å; E323-R347 IonicContact OE1-CZ 2.72Å; E323-R347 IonicContact OE1-NE 3.81Å; E323-R347 PolarHBondContact OE1-NE 2.89Å; E323-R347 VanDerWaalsContact OE1-NE 3.09Å; E323-R347 IonicContact OE1-NH2 3.4Å; E323-R347 PolarHBondContact OE1-NH2 3.3Å; E323-R347 IonicContact OE2-CZ 2.66Å; E323-R347 IonicContact OE2-NE 2.68Å; E323-R347 PolarHBondContact OE2-NE 3.27Å; E323-R347 VanDerWaalsContact OE2-NE 3.14Å; E323-R347 IonicContact OE2-NH1 3.41Å; E323-R347 IonicContact OE2-NH2 3.41Å; E323-R347 PolarHBondContact OE2-NH2 2.74Å; N345-R347 VanDerWaalsContact O-CG 3.3Å; N345-R347 WeakPolarHBondContact O-CG 3.34Å; N345-R347 PolarHBondContact O-N 3.18Å; R347-I372 WeakPolarHBondContact O-CA 3.45Å; R347-R373 PolarHBondContact O-N 2.65Å
348	E	94.3	Very high	92.9	Very high	49 Å²	49	38 Å²	38	23%	0.229	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.8	-170	-50.7	-159	141.8	0	0	112.3	E323 T324 L325 R373 M375	E323-E348 PolarHBondContact O-N 2.73Å; T324-E348 WeakPolarHBondContact CA-O 3.3Å; L325-E348 PolarHBondContact N-O 3.06Å; E348-R373 WeakPolarHBondContact CA-O 3.18Å; E348-R373 HydrophobicContact CG-CB 4.36Å; E348-R373 WeakPolarHBondContact OE1-CD 3.36Å; E348-R373 IonicContact OE1-CZ 3.88Å; E348-R373 IonicContact OE1-NE 3.12Å; E348-R373 IonicContact OE1-NH1 2.76Å; E348-R373 PolarHBondContact OE1-NH1 3.41Å; E348-M375 HydrophobicContact CB-CE 3.86Å; E348-M375 WeakPolarHBondContact OE2-CE 3.47Å
349	V	94.3	Very high	92.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.2	178.6	172.7	0	0	0	0	109.6	L325 L346 M351 I372 R373 F374 M375	L325-V349 HydrophobicContact CB-CG2 4.46Å; L325-V349 WeakPolarHBondContact O-CA 3.24Å; L346-V349 HydrophobicContact CD1-CG2 4.5Å; L346-V349 HydrophobicContact CD2-CG2 3.6Å; L346-V349 HydrophobicContact CG-CG2 4.16Å; V349-M351 HydrophobicContact CG1-CG 3.9Å; V349-M351 HydrophobicContact CG1-SD 4.35Å; V349-I372 HydrophobicContact CB-CG2 4Å; V349-I372 HydrophobicContact CG2-CG2 3.65Å; V349-R373 PolarHBondContact N-O 3.06Å; V349-F374 HydrophobicContact CB-CD1 4.39Å; V349-F374 HydrophobicContact CB-CE1 4.43Å; V349-F374 HydrophobicContact CG1-CD1 4.32Å; V349-F374 HydrophobicContact CG1-CE1 4.17Å; V349-F374 CarbonylContact O-C 3.05Å; V349-F374 VanDerWaalsContact O-CA 3.29Å; V349-F374 WeakPolarHBondContact O-CA 3.44Å; V349-M375 PolarHBondContact O-N 2.96Å
350	S	94.9	Very high	92.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.1	168.9	-166.3	0	0	0	0	110.5	L325 L327 N328 H352	L325-S350 PolarHBondContact O-N 3.42Å; L327-S350 CarbonylContact C-O 3.55Å; L327-S350 WeakPolarHBondContact CA-O 3.43Å; L327-S350 WeakPolarHBondContact CB-O 3.48Å; L327-S350 PolarHBondContact N-O 3.29Å; N328-S350 WeakPolarHBondContact CB-OG 3.39Å; N328-S350 VanDerWaalsContact OD1-CB 3.24Å; N328-S350 WeakPolarHBondContact OD1-CB 3.48Å; N328-S350 PolarHBondContact OD1-OG 2.67Å; S350-H352 PolarHBondContact OG-CD2 2.43Å; S350-H352 PolarHBondContact OG-NE2 3.06Å
351	M	94.1	Very high	92.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.191	C	C	.	.			trans	-142.4	3.6	179.2	-82.6	-167.3	74.3	0	0	113.9	L327 L335 V349 N354 I356 M365 L380	L327-M351 HydrophobicContact CB-CG 4.25Å; L335-M351 HydrophobicContact CB-CE 3.6Å; L335-M351 HydrophobicContact CB-SD 3.61Å; L335-M351 HydrophobicContact CD2-SD 3.61Å; L335-M351 HydrophobicContact CG-SD 4.25Å; V349-M351 HydrophobicContact CG1-CG 3.9Å; V349-M351 HydrophobicContact CG1-SD 4.35Å; M351-N354 WeakPolarHBondContact O-CB 3.31Å; M351-N354 PolarHBondContact O-ND2 2.68Å; M351-I356 HydrophobicContact CE-CD1 3.84Å; M351-M365 HydrophobicContact CE-CE 3.96Å; M351-M365 HydrophobicContact SD-CE 3.58Å; M351-M365 VanDerWaalsContact SD-CE 3.58Å; M351-L380 HydrophobicContact CB-CD1 3.94Å; M351-L380 WeakPolarHBondContact O-CD1 3.46Å
352	H	93.2	Very high	93.1	Very high	28 Å²	28	30.8 Å²	30.8	13%	0.13	17%	0.166	C	C	.	.			trans	-60.2	164.6	179.3	67	88.6	0	0	0	112.4	N328 G329 S350 N354 E376 S379	N328-H352 WeakPolarHBondContact CA-O 3.43Å; N328-H352 VanDerWaalsContact CB-NE2 3.34Å; N328-H352 WeakPolarHBondContact CB-NE2 3.26Å; N328-H352 VanDerWaalsContact CB-O 3.28Å; N328-H352 WeakPolarHBondContact CB-O 3.3Å; G329-H352 PolarHBondContact N-O 3.45Å; G329-H352 VanDerWaalsContact N-O 3.09Å; S350-H352 PolarHBondContact OG-CD2 2.43Å; S350-H352 PolarHBondContact OG-NE2 3.06Å; H352-N354 PolarHBondContact O-N 2.95Å; H352-N354 PolarHBondContact O-ND2 2.7Å; H352-N354 VanDerWaalsContact O-ND2 3.15Å; H352-E376 HydrophobicContact CB-CB 4.33Å; H352-E376 IonicContact ND1-OE2 2.68Å; H352-S379 WeakPolarHBondContact CB-O 3.26Å
353	S	93.9	Very high	93.1	Very high	80 Å²	80	31 Å²	31	56%	0.559	16%	0.163	S	C	*	.	S	Bend	trans	56.6	46.2	-178.2	-47.9	0	0	0	0	113.1	G329	G329-S353 VanDerWaalsContact CA-O 3.24Å; G329-S353 WeakPolarHBondContact CA-O 3.26Å; G329-S353 PolarHBondContact N-O 2.85Å
354	N	94.6	Very high	93.1	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.08	16%	0.164	C	C	.	.	S	Bend	trans	-131.2	152	175.3	-83.9	-85.8	0	0	0	110.3	L327 N330 L332 M351 H352 I356	L327-N354 PolarHBondContact O-ND2 2.73Å; N330-N354 WeakPolarHBondContact CA-OD1 3.21Å; N330-N354 VanDerWaalsContact CB-OD1 3.29Å; N330-N354 WeakPolarHBondContact CB-OD1 3.35Å; N330-N354 PolarHBondContact N-OD1 2.99Å; N330-N354 PolarHBondContact O-OD1 2.96Å; N330-N354 VanDerWaalsContact O-OD1 3.06Å; L332-N354 VanDerWaalsContact CB-OD1 3.31Å; L332-N354 WeakPolarHBondContact CB-OD1 3.37Å; L332-N354 PolarHBondContact N-OD1 2.81Å; M351-N354 WeakPolarHBondContact O-CB 3.31Å; M351-N354 PolarHBondContact O-ND2 2.68Å; H352-N354 PolarHBondContact O-N 2.95Å; H352-N354 PolarHBondContact O-ND2 2.7Å; H352-N354 VanDerWaalsContact O-ND2 3.15Å; N354-I356 VanDerWaalsContact C-N 3.3Å; N354-I356 HydrophobicContact CB-CD1 3.77Å; N354-I356 HydrophobicContact CB-CG1 4.27Å; N354-I356 PolarHBondContact O-N 2.88Å
355	P	93.8	Very high	93.1	Very high	50 Å²	50	27 Å²	27	33%	0.325	14%	0.135	S	C	.	.			trans	-82.1	64.4	-178.4	35	-37.1	0	0	0	112.5	N330 S333 V383	N330-P355 WeakPolarHBondContact O-CD 3.34Å; S333-P355 WeakPolarHBondContact CA-O 3.42Å; P355-V383 HydrophobicContact CB-CG2 4.34Å
356	I	94.6	Very high	92.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.4	-169.4	-52.9	-63.7	0	0	0	112.8	S333 M351 N354 V362 L380 Y381 V383 E384 V393	S333-I356 CarbonylContact O-C 3.56Å; S333-I356 WeakPolarHBondContact O-CA 3.43Å; M351-I356 HydrophobicContact CE-CD1 3.84Å; N354-I356 VanDerWaalsContact C-N 3.3Å; N354-I356 HydrophobicContact CB-CD1 3.77Å; N354-I356 HydrophobicContact CB-CG1 4.27Å; N354-I356 PolarHBondContact O-N 2.88Å; I356-V362 HydrophobicContact CG2-CG1 4.09Å; I356-V362 HydrophobicContact CG2-CG2 4.35Å; I356-L380 HydrophobicContact CD1-CD1 4.2Å; I356-L380 HydrophobicContact CG1-CD1 3.83Å; I356-Y381 WeakPolarHBondContact CB-O 3.48Å; I356-V383 PolarHBondContact O-N 2.9Å; I356-E384 PolarHBondContact O-N 3.4Å; I356-V393 HydrophobicContact CB-CG2 4.2Å; I356-V393 HydrophobicContact CG1-CG2 4.41Å; I356-V393 HydrophobicContact CG2-CG2 3.98Å
357	R	92.8	Very high	92.2	Very high	29 Å²	29	25.5 Å²	25.5	11%	0.109	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.6	167.2	-173.7	170.3	90	158.6	5	110.1	S333 D359 V362 E384 L406	S333-R357 PolarHBondContact O-N 2.6Å; R357-D359 HydrophobicContact CG-CB 4.13Å; R357-D359 IonicContact CZ-OD2 2.71Å; R357-D359 IonicContact NE-OD2 2.77Å; R357-D359 PolarHBondContact NE-OD2 2.73Å; R357-D359 IonicContact NH2-OD2 2.81Å; R357-D359 PolarHBondContact NH2-OD2 3.24Å; R357-D359 PolarHBondContact O-N 2.8Å; R357-V362 WeakPolarHBondContact O-CG2 3.46Å; R357-E384 CarbonylContact C-O 3.56Å; R357-E384 WeakPolarHBondContact CA-O 3.42Å; R357-E384 HydrophobicContact CB-CB 4.1Å; R357-E384 WeakPolarHBondContact CD-OE2 3.34Å; R357-E384 HydrophobicContact CG-CB 3.71Å; R357-L406 PolarHBondContact NH2-O 2.62Å
358	C	93.6	Very high	91	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	14%	0.144	C	C	.	.			trans	-84.7	71.4	-175.3	-75.2	0	0	0	0	112.5	C382 E384 Y388 M401	C358-C382 HydrophobicContact CB-CB 3.8Å; C358-C382 WeakPolarHBondContact CB-SG 3.45Å; C358-C382 WeakPolarHBondContact SG-CB 3.32Å; C358-C382 CovalentContact SG-SG 2.03Å; C358-C382 PolarHBondContact SG-SG 3.43Å; C358-E384 PolarHBondContact N-O 2.92Å; C358-Y388 HydrophobicContact CB-CD2 4.06Å; C358-M401 HydrophobicContact CB-CE 4.04Å
359	D	91.4	Very high	89.8	Confident	14 Å²	14	32 Å²	32	8%	0.075	17%	0.166	C	C	.	.	S	Bend	trans	-123.6	-157.3	-171.2	72.5	-3	0	0	0	113.6	R357 V361 V362 R363 C405	R357-D359 HydrophobicContact CG-CB 4.13Å; R357-D359 IonicContact CZ-OD2 2.71Å; R357-D359 IonicContact NE-OD2 2.77Å; R357-D359 PolarHBondContact NE-OD2 2.73Å; R357-D359 IonicContact NH2-OD2 2.81Å; R357-D359 PolarHBondContact NH2-OD2 3.24Å; R357-D359 PolarHBondContact O-N 2.8Å; D359-V361 VanDerWaalsContact C-N 3.28Å; D359-V361 PolarHBondContact O-N 2.78Å; D359-V361 WeakPolarHBondContact OD1-CA 3.36Å; D359-V361 WeakPolarHBondContact OD1-CB 3.48Å; D359-V361 PolarHBondContact OD1-N 3.29Å; D359-V362 PolarHBondContact OD1-N 2.86Å; D359-R363 PolarHBondContact O-N 3.11Å; D359-C405 PolarHBondContact OD2-SG 3.31Å; D359-C405 VanDerWaalsContact OD2-SG 3.33Å
360	C	91.9	Very high	88.7	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.041	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.8	176.1	72.7	0	0	0	0	114.5	R363 M402 C405 E435	C360-R363 WeakPolarHBondContact O-CB 3.39Å; C360-M402 WeakPolarHBondContact CA-O 3.41Å; C360-M402 WeakPolarHBondContact CB-O 3.47Å; C360-C405 HydrophobicContact CB-CB 3.71Å; C360-C405 WeakPolarHBondContact CB-SG 3.43Å; C360-C405 PolarHBondContact N-SG 2.91Å; C360-C405 VanDerWaalsContact N-SG 3.41Å; C360-C405 WeakPolarHBondContact SG-CB 3.39Å; C360-C405 PolarHBondContact SG-N 3.29Å; C360-C405 CovalentContact SG-SG 2.03Å; C360-C405 PolarHBondContact SG-SG 2.85Å; C360-E435 HydrophobicContact CB-CB 4.25Å; C360-E435 VanDerWaalsContact SG-CB 3.52Å; C360-E435 PolarHBondContact SG-N 2.83Å
361	V	92.9	Very high	88	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.03	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-37.9	-175.2	179.1	0	0	0	0	111.5	A334 H336 D359 W364 F433	A334-V361 HydrophobicContact CB-CB 4.17Å; A334-V361 HydrophobicContact CB-CG1 3.64Å; H336-V361 HydrophobicContact CB-CG1 4.37Å; D359-V361 VanDerWaalsContact C-N 3.28Å; D359-V361 PolarHBondContact O-N 2.78Å; D359-V361 WeakPolarHBondContact OD1-CA 3.36Å; D359-V361 WeakPolarHBondContact OD1-CB 3.48Å; D359-V361 PolarHBondContact OD1-N 3.29Å; V361-W364 PolarHBondContact O-NE1 2.88Å; V361-F433 HydrophobicContact CG1-CD2 4.48Å; V361-F433 HydrophobicContact CG2-CD2 4.14Å
362	V	92.6	Very high	87.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-6	174.6	-55.9	0	0	0	0	114.1	A334 I356 R357 D359 W364 M365 M401	A334-V362 HydrophobicContact CB-CG1 3.74Å; I356-V362 HydrophobicContact CG2-CG1 4.09Å; I356-V362 HydrophobicContact CG2-CG2 4.35Å; R357-V362 WeakPolarHBondContact O-CG2 3.46Å; D359-V362 PolarHBondContact OD1-N 2.86Å; V362-W364 PolarHBondContact O-N 3.11Å; V362-M365 HydrophobicContact CB-CE 4.2Å; V362-M365 HydrophobicContact CB-CG 4.43Å; V362-M365 HydrophobicContact CB-SD 4.02Å; V362-M365 HydrophobicContact CG1-CE 4Å; V362-M365 HydrophobicContact CG1-SD 4.37Å; V362-M365 VanDerWaalsContact O-CB 3.29Å; V362-M365 WeakPolarHBondContact O-CB 3.44Å; V362-M365 WeakPolarHBondContact O-CG 3.26Å; V362-M365 PolarHBondContact O-N 2.8Å; V362-M401 HydrophobicContact CG2-CE 4.41Å; V362-M401 HydrophobicContact CG2-SD 4.38Å
363	R	91.3	Very high	87.5	Confident	26 Å²	26	49.5 Å²	49.5	10%	0.098	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-40.3	-39.5	175.5	-174.6	-167.5	-174.4	77.2	3.1	114.5	D359 C360 M365 N366 F398 M401 M402 E403	D359-R363 PolarHBondContact O-N 3.11Å; C360-R363 WeakPolarHBondContact O-CB 3.39Å; R363-M365 PolarHBondContact O-N 3.31Å; R363-N366 PolarHBondContact O-N 2.54Å; R363-F398 PolarHBondContact NH1-O 3.09Å; R363-F398 PolarHBondContact NH2-O 3.04Å; R363-M401 HydrophobicContact CB-SD 4.34Å; R363-M401 PolarHBondContact NH1-O 2.95Å; R363-M402 PolarHBondContact NH1-O 3.46Å; R363-E403 IonicContact CZ-OE1 2.8Å; R363-E403 IonicContact NE-OE1 2.73Å; R363-E403 IonicContact NH2-OE1 3.22Å; R363-E403 PolarHBondContact NH2-OE1 2.83Å
364	W	91.1	Very high	87.3	Confident	18 Å²	18	46.6 Å²	46.6	7%	0.068	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-61.3	-29.8	-178.9	71	-93.7	0	0	0	113.3	L335 R337 V340 V361 V362 N366 M367 T370 F374	L335-W364 HydrophobicContact CD2-CZ2 4.39Å; L335-W364 PolarHBondContact O-NE1 3.26Å; R337-W364 HydrophobicContact CB-CB 3.99Å; R337-W364 HydrophobicContact CB-CD2 4.32Å; R337-W364 HydrophobicContact CB-CG 3.69Å; V340-W364 HydrophobicContact CB-CH2 4.16Å; V340-W364 HydrophobicContact CB-CZ2 4.42Å; V340-W364 HydrophobicContact CG1-CH2 3.98Å; V340-W364 HydrophobicContact CG1-CZ3 4.05Å; V340-W364 HydrophobicContact CG2-CH2 3.78Å; V340-W364 HydrophobicContact CG2-CZ2 3.9Å; V361-W364 PolarHBondContact O-NE1 2.88Å; V362-W364 PolarHBondContact O-N 3.11Å; W364-N366 PolarHBondContact O-N 3.44Å; W364-N366 VanDerWaalsContact O-N 3.12Å; W364-M367 PolarHBondContact O-N 2.84Å; W364-M367 VanDerWaalsContact O-N 3.09Å; W364-T370 HydrophobicContact CE3-CG2 3.9Å; W364-T370 HydrophobicContact CZ3-CG2 4.01Å; W364-F374 HydrophobicContact CH2-CE1 4.39Å; W364-F374 AromaticContact CH2-CZ 3.79Å; W364-F374 HydrophobicContact CH2-CZ 3.79Å; W364-F374 AromaticContact CZ3-CZ 3.94Å; W364-F374 HydrophobicContact CZ3-CZ 3.94Å
365	M	90.3	Very high	86.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22.9	-178.5	-62.5	-175.4	-178.6	0	0	112.6	L335 M351 V362 R363 F374 V393 R394	L335-M365 HydrophobicContact CB-CE 4.03Å; M351-M365 HydrophobicContact CE-CE 3.96Å; M351-M365 HydrophobicContact SD-CE 3.58Å; M351-M365 VanDerWaalsContact SD-CE 3.58Å; V362-M365 HydrophobicContact CB-CE 4.2Å; V362-M365 HydrophobicContact CB-CG 4.43Å; V362-M365 HydrophobicContact CB-SD 4.02Å; V362-M365 HydrophobicContact CG1-CE 4Å; V362-M365 HydrophobicContact CG1-SD 4.37Å; V362-M365 VanDerWaalsContact O-CB 3.29Å; V362-M365 WeakPolarHBondContact O-CB 3.44Å; V362-M365 WeakPolarHBondContact O-CG 3.26Å; V362-M365 PolarHBondContact O-N 2.8Å; R363-M365 PolarHBondContact O-N 3.31Å; M365-F374 HydrophobicContact CB-CZ 4.18Å; M365-F374 HydrophobicContact CG-CE1 4.48Å; M365-F374 HydrophobicContact CG-CZ 3.97Å; M365-F374 HydrophobicContact SD-CE1 4.35Å; M365-F374 HydrophobicContact SD-CZ 4.41Å; M365-V393 HydrophobicContact SD-CG1 4.42Å; M365-R394 PolarHBondContact O-NH1 2.81Å
366	N	86.4	Confident	86.5	Confident	17 Å²	17	50.9 Å²	50.9	9%	0.091	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-107.8	12.2	-178.5	-61.7	-9.6	0	0	0	112.9	R363 W364 V393 V396 F398 M401	R363-N366 PolarHBondContact O-N 2.54Å; W364-N366 PolarHBondContact O-N 3.44Å; W364-N366 VanDerWaalsContact O-N 3.12Å; N366-V393 PolarHBondContact ND2-O 3.38Å; N366-V393 PolarHBondContact OD1-O 3.33Å; N366-V396 PolarHBondContact ND2-O 3.45Å; N366-F398 HydrophobicContact CB-CB 4.02Å; N366-M401 WeakPolarHBondContact ND2-CE 3.25Å
367	M	82.4	Confident	86	Confident	51 Å²	51	53.1 Å²	53.1	25%	0.251	26%	0.257	S	S	.	.	S	Bend	trans	-95.3	140.1	174.5	-58.9	-174.7	76.2	0	0	110.7	W364 K369 F398	W364-M367 PolarHBondContact O-N 2.84Å; W364-M367 VanDerWaalsContact O-N 3.09Å; M367-K369 HydrophobicContact CB-CB 4.44Å; M367-K369 HydrophobicContact CB-CG 4.47Å; M367-K369 HydrophobicContact CE-CD 4.22Å; M367-K369 PolarHBondContact O-N 2.67Å; M367-F398 HydrophobicContact CG-CB 4.43Å
368	N	67.4	Low	85.7	Confident	169 Å²	169	56.8 Å²	56.8	90%	0.904	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	45.8	174.4	-64.8	1.2	0	0	0	112.6
369	K	68.6	Low	85.5	Confident	158 Å²	158	58.6 Å²	58.6	69%	0.687	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-21.7	-178.1	-77.1	-170.4	172.5	-173.4	0	113.9	M367	M367-K369 HydrophobicContact CB-CB 4.44Å; M367-K369 HydrophobicContact CB-CG 4.47Å; M367-K369 HydrophobicContact CE-CD 4.22Å; M367-K369 PolarHBondContact O-N 2.67Å
370	T	71.8	Confident	85.5	Confident	38 Å²	38	58.1 Å²	58.1	23%	0.233	29%	0.289	C	S	.	.			trans	-104.4	135.2	-178	52.3	0	0	0	0	111.1	W364 I372	W364-T370 HydrophobicContact CE3-CG2 3.9Å; W364-T370 HydrophobicContact CZ3-CG2 4.01Å; T370-I372 HydrophobicContact CG2-CD1 4.35Å; T370-I372 PolarHBondContact O-N 3.06Å
371	N	78.7	Confident	85.6	Confident	171 Å²	171	62.6 Å²	62.6	91%	0.914	31%	0.306	S	S	*	.			trans	-87.8	18.9	173.2	-66.8	-28.8	0	0	0	112
372	I	87.4	Confident	85.7	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.138	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-89.6	130.1	-168.5	-68.1	163.2	0	0	0	109.9	V340 L346 R347 V349 T370	V340-I372 HydrophobicContact CG1-CD1 3.16Å; L346-I372 HydrophobicContact CD2-CD1 4.06Å; R347-I372 WeakPolarHBondContact O-CA 3.45Å; V349-I372 HydrophobicContact CB-CG2 4Å; V349-I372 HydrophobicContact CG2-CG2 3.65Å; T370-I372 HydrophobicContact CG2-CD1 4.35Å; T370-I372 PolarHBondContact O-N 3.06Å
373	R	89.6	Confident	85.7	Confident	162 Å²	162	66 Å²	66	61%	0.611	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	119	172.1	-174.1	-169.3	-177.2	-163.3	-1.5	109	R347 E348 V349	R347-R373 PolarHBondContact O-N 2.65Å; E348-R373 WeakPolarHBondContact CA-O 3.18Å; E348-R373 HydrophobicContact CG-CB 4.36Å; E348-R373 WeakPolarHBondContact OE1-CD 3.36Å; E348-R373 IonicContact OE1-CZ 3.88Å; E348-R373 IonicContact OE1-NE 3.12Å; E348-R373 IonicContact OE1-NH1 2.76Å; E348-R373 PolarHBondContact OE1-NH1 3.41Å; V349-R373 PolarHBondContact N-O 3.06Å
374	F	89.4	Confident	85.6	Confident	19 Å²	19	69.3 Å²	69.3	8%	0.083	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.3	166.5	-71	-87.6	0	0	0	109.6	V349 W364 M365 P377	V349-F374 HydrophobicContact CB-CD1 4.39Å; V349-F374 HydrophobicContact CB-CE1 4.43Å; V349-F374 HydrophobicContact CG1-CD1 4.32Å; V349-F374 HydrophobicContact CG1-CE1 4.17Å; V349-F374 CarbonylContact O-C 3.05Å; V349-F374 VanDerWaalsContact O-CA 3.29Å; V349-F374 WeakPolarHBondContact O-CA 3.44Å; W364-F374 HydrophobicContact CH2-CE1 4.39Å; W364-F374 AromaticContact CH2-CZ 3.79Å; W364-F374 HydrophobicContact CH2-CZ 3.79Å; W364-F374 AromaticContact CZ3-CZ 3.94Å; W364-F374 HydrophobicContact CZ3-CZ 3.94Å; M365-F374 HydrophobicContact CB-CZ 4.18Å; M365-F374 HydrophobicContact CG-CE1 4.48Å; M365-F374 HydrophobicContact CG-CZ 3.97Å; M365-F374 HydrophobicContact SD-CE1 4.35Å; M365-F374 HydrophobicContact SD-CZ 4.41Å; F374-P377 HydrophobicContact CB-CB 4.21Å
375	M	86.7	Confident	85.5	Confident	50 Å²	50	70.3 Å²	70.3	25%	0.246	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.6	167	-62.1	-174.9	175.6	0	0	109	T324 M326 E348 V349	T324-M375 HydrophobicContact CG2-CE 4.08Å; M326-M375 HydrophobicContact CE-SD 4.42Å; M326-M375 HydrophobicContact CG-SD 4.5Å; E348-M375 HydrophobicContact CB-CE 3.86Å; E348-M375 WeakPolarHBondContact OE2-CE 3.47Å; V349-M375 PolarHBondContact O-N 2.96Å
376	E	86.6	Confident	85.4	Confident	105 Å²	105	74.9 Å²	74.9	49%	0.491	38%	0.381	S	S	.	.	S	Bend	trans	40.7	60.7	-173.8	-58.2	-164.3	-172.4	0	0	114.4	H352 D378 S379	H352-E376 HydrophobicContact CB-CB 4.33Å; H352-E376 IonicContact ND1-OE2 2.68Å; E376-D378 PolarHBondContact O-N 3.39Å; E376-S379 WeakPolarHBondContact O-CB 3.46Å; E376-S379 PolarHBondContact O-N 3.48Å; E376-S379 WeakPolarHBondContact OE2-CB 3.46Å; E376-S379 PolarHBondContact OE2-OG 2.76Å
377	P	84	Confident	85.5	Confident	47 Å²	47	80.4 Å²	80.4	31%	0.305	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-63.6	-25.9	-176	28.3	-35.3	0	0	0	112.8	F374 S379 L380	F374-P377 HydrophobicContact CB-CB 4.21Å; P377-S379 VanDerWaalsContact C-N 3.33Å; P377-L380 PolarHBondContact O-N 2.88Å
378	D	85.1	Confident	86	Confident	107 Å²	107	80 Å²	80	57%	0.572	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-77.3	-18.8	175.6	-53	-63.3	0	0	0	112.3	E376 L380 Y381 H392	E376-D378 PolarHBondContact O-N 3.39Å; D378-L380 VanDerWaalsContact C-N 3.27Å; D378-L380 PolarHBondContact O-N 3.42Å; D378-Y381 WeakPolarHBondContact O-CE2 3.37Å; D378-Y381 PolarHBondContact O-OH 3.03Å; D378-Y381 VanDerWaalsContact O-OH 3.09Å; D378-H392 PolarHBondContact O-CE1 3.18Å; D378-H392 VanDerWaalsContact O-CE1 3.24Å; D378-H392 PolarHBondContact O-ND1 3.33Å
379	S	89.9	Confident	87.2	Confident	39 Å²	39	78.3 Å²	78.3	27%	0.273	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-85	5.7	173.3	-58.9	0	0	0	0	113.2	H352 E376 P377 Y381	H352-S379 WeakPolarHBondContact CB-O 3.26Å; E376-S379 WeakPolarHBondContact O-CB 3.46Å; E376-S379 PolarHBondContact O-N 3.48Å; E376-S379 WeakPolarHBondContact OE2-CB 3.46Å; E376-S379 PolarHBondContact OE2-OG 2.76Å; P377-S379 VanDerWaalsContact C-N 3.33Å; S379-Y381 WeakPolarHBondContact O-CD2 3.33Å
380	L	91.1	Very high	88.3	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.021	38%	0.382	C	S	.	.			trans	-106.2	107.4	-176.9	-169.9	71.1	0	0	0	111	M351 I356 P377 D378 H392 V393	M351-L380 HydrophobicContact CB-CD1 3.94Å; M351-L380 WeakPolarHBondContact O-CD1 3.46Å; I356-L380 HydrophobicContact CD1-CD1 4.2Å; I356-L380 HydrophobicContact CG1-CD1 3.83Å; P377-L380 PolarHBondContact O-N 2.88Å; D378-L380 VanDerWaalsContact C-N 3.27Å; D378-L380 PolarHBondContact O-N 3.42Å; L380-H392 CarbonylContact O-C 3.51Å; L380-H392 WeakPolarHBondContact O-CA 3.35Å; L380-V393 HydrophobicContact CD2-CB 3.99Å; L380-V393 HydrophobicContact CD2-CG1 4.39Å; L380-V393 HydrophobicContact CD2-CG2 4.16Å; L380-V393 HydrophobicContact CG-CB 4.04Å; L380-V393 HydrophobicContact CG-CG2 3.73Å; L380-V393 PolarHBondContact O-N 2.84Å
381	Y	94.3	Very high	89.3	Confident	101 Å²	101	75.3 Å²	75.3	40%	0.396	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-118.9	148.7	-173.1	-59.4	-91.5	0	0	0	112.9	I356 D378 S379 Q391 H392	I356-Y381 WeakPolarHBondContact CB-O 3.48Å; D378-Y381 WeakPolarHBondContact O-CE2 3.37Å; D378-Y381 PolarHBondContact O-OH 3.03Å; D378-Y381 VanDerWaalsContact O-OH 3.09Å; S379-Y381 WeakPolarHBondContact O-CD2 3.33Å; Y381-Q391 CarbonylContact C-O 3.58Å; Y381-Q391 WeakPolarHBondContact CA-O 3.35Å; Y381-H392 AromaticContact CD1-ND1 3.98Å; Y381-H392 AromaticContact CE1-CE1 3.33Å; Y381-H392 WeakPolarHBondContact CE1-CE1 3.36Å; Y381-H392 AromaticContact CE1-CG 3.93Å; Y381-H392 AromaticContact CE1-ND1 3.36Å; Y381-H392 WeakPolarHBondContact CE1-ND1 3.38Å; Y381-H392 AromaticContact CE1-NE2 3.87Å; Y381-H392 AromaticContact CZ-CE1 3.6Å; Y381-H392 AromaticContact CZ-ND1 3.7Å; Y381-H392 PolarHBondContact OH-CE1 2.82Å
382	C	94.4	Very high	90	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.014	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.2	168.2	-55.1	0	0	0	0	110.7	C358 Y388 G390 Q391	C358-C382 HydrophobicContact CB-CB 3.8Å; C358-C382 WeakPolarHBondContact CB-SG 3.45Å; C358-C382 WeakPolarHBondContact SG-CB 3.32Å; C358-C382 CovalentContact SG-SG 2.03Å; C358-C382 PolarHBondContact SG-SG 3.43Å; C382-Y388 VanDerWaalsContact CB-O 3.26Å; C382-Y388 WeakPolarHBondContact CB-O 3.38Å; C382-G390 PolarHBondContact O-N 3.19Å; C382-Q391 PolarHBondContact N-O 3.01Å
383	V	94.1	Very high	90.2	Very high	74 Å²	74	68 Å²	68	45%	0.448	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-34	168	177.5	0	0	0	0	110.9	P355 I356	P355-V383 HydrophobicContact CB-CG2 4.34Å; I356-V383 PolarHBondContact O-N 2.9Å
384	E	88.2	Confident	90.1	Very high	96 Å²	96	66 Å²	66	45%	0.449	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.2	172.2	-77.9	-176.1	-157.8	0	0	110.5	I356 R357 C358	I356-E384 PolarHBondContact O-N 3.4Å; R357-E384 CarbonylContact C-O 3.56Å; R357-E384 WeakPolarHBondContact CA-O 3.42Å; R357-E384 HydrophobicContact CB-CB 4.1Å; R357-E384 WeakPolarHBondContact CD-OE2 3.34Å; R357-E384 HydrophobicContact CG-CB 3.71Å; C358-E384 PolarHBondContact N-O 2.92Å
385	P	89.7	Confident	90	Very high	38 Å²	38	71.1 Å²	71.1	25%	0.247	37%	0.366	C	S	.	.	S	Bend	cis	-73	169.9	-17.5	36.6	-39.5	0	0	0	111.2	E387 Y388 E389	P385-E387 WeakPolarHBondContact CB-OE2 3.28Å; P385-E387 PolarHBondContact O-N 3.08Å; P385-Y388 HydrophobicContact CG-CD2 3.95Å; P385-Y388 HydrophobicContact CG-CE2 4.34Å; P385-Y388 PolarHBondContact O-N 3.4Å; P385-E389 PolarHBondContact O-N 3.28Å
386	P	88.4	Confident	90.2	Very high	98 Å²	98	68.9 Å²	68.9	64%	0.636	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.8	-172.8	-27	36.7	0	0	0	115.6	Y388	P386-Y388 PolarHBondContact O-N 3.22Å
387	E	88.3	Confident	90.3	Very high	133 Å²	133	68.1 Å²	68.1	62%	0.621	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.4	174.5	-63.2	76.9	-170.6	0	0	113.1	P385 Q391	P385-E387 WeakPolarHBondContact CB-OE2 3.28Å; P385-E387 PolarHBondContact O-N 3.08Å; E387-Q391 PolarHBondContact O-NE2 2.92Å
388	Y	91.8	Very high	90.3	Very high	41 Å²	41	68.5 Å²	68.5	16%	0.161	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	1	-179	-53.7	-45.5	0	0	0	113.7	C358 C382 P385 P386 G390 Q391 V396 E400	C358-Y388 HydrophobicContact CB-CD2 4.06Å; C382-Y388 VanDerWaalsContact CB-O 3.26Å; C382-Y388 WeakPolarHBondContact CB-O 3.38Å; P385-Y388 HydrophobicContact CG-CD2 3.95Å; P385-Y388 HydrophobicContact CG-CE2 4.34Å; P385-Y388 PolarHBondContact O-N 3.4Å; P386-Y388 PolarHBondContact O-N 3.22Å; Y388-G390 PolarHBondContact O-N 2.77Å; Y388-Q391 VanDerWaalsContact O-CB 3.26Å; Y388-Q391 WeakPolarHBondContact O-CB 3.33Å; Y388-Q391 WeakPolarHBondContact O-CG 3.38Å; Y388-Q391 PolarHBondContact O-N 2.85Å; Y388-V396 HydrophobicContact CD1-CG1 3.98Å; Y388-V396 HydrophobicContact CD1-CG2 4.01Å; Y388-V396 HydrophobicContact CD2-CG1 4.13Å; Y388-V396 HydrophobicContact CE1-CG1 3.91Å; Y388-V396 HydrophobicContact CE2-CG1 4.07Å; Y388-V396 HydrophobicContact CG-CG1 4.13Å; Y388-V396 HydrophobicContact CG-CG2 4.05Å; Y388-E400 VanDerWaalsContact OH-C 3.25Å; Y388-E400 WeakPolarHBondContact OH-CB 3.34Å; Y388-E400 PolarHBondContact OH-O 3.12Å
389	E	93.3	Very high	90.3	Very high	135 Å²	135	72.4 Å²	72.4	63%	0.631	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	126.1	-178	-172.3	-179.6	173.2	0	0	112.1	P385 Q391	P385-E389 PolarHBondContact O-N 3.28Å; E389-Q391 VanDerWaalsContact C-N 3.27Å; E389-Q391 PolarHBondContact O-N 2.89Å
390	G	91.6	Very high	90.2	Very high	52 Å²	52	75.7 Å²	75.7	54%	0.536	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	-2.8	-178	0	0	0	0	0	115.8	C382 Y388	C382-G390 PolarHBondContact O-N 3.19Å; Y388-G390 PolarHBondContact O-N 2.77Å
391	Q	92.8	Very high	90.1	Very high	80 Å²	80	75.8 Å²	75.8	37%	0.374	37%	0.366	S	S	.	.	S	Bend	trans	-79.5	147.3	173.7	-58	-176.5	30.2	0	0	111	Y381 C382 E387 Y388 E389 V393 V396	Y381-Q391 CarbonylContact C-O 3.58Å; Y381-Q391 WeakPolarHBondContact CA-O 3.35Å; C382-Q391 PolarHBondContact N-O 3.01Å; E387-Q391 PolarHBondContact O-NE2 2.92Å; Y388-Q391 VanDerWaalsContact O-CB 3.26Å; Y388-Q391 WeakPolarHBondContact O-CB 3.33Å; Y388-Q391 WeakPolarHBondContact O-CG 3.38Å; Y388-Q391 PolarHBondContact O-N 2.85Å; E389-Q391 VanDerWaalsContact C-N 3.27Å; E389-Q391 PolarHBondContact O-N 2.89Å; Q391-V393 PolarHBondContact O-N 2.79Å; Q391-V396 HydrophobicContact CB-CG2 4.18Å
392	H	92.6	Very high	89.6	Confident	44 Å²	44	75.9 Å²	75.9	20%	0.204	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-68.3	131	173.3	-55.7	-98	0	0	0	109.7	D378 L380 Y381 R394 Q395	D378-H392 PolarHBondContact O-CE1 3.18Å; D378-H392 VanDerWaalsContact O-CE1 3.24Å; D378-H392 PolarHBondContact O-ND1 3.33Å; L380-H392 CarbonylContact O-C 3.51Å; L380-H392 WeakPolarHBondContact O-CA 3.35Å; Y381-H392 AromaticContact CD1-ND1 3.98Å; Y381-H392 AromaticContact CE1-CE1 3.33Å; Y381-H392 WeakPolarHBondContact CE1-CE1 3.36Å; Y381-H392 AromaticContact CE1-CG 3.93Å; Y381-H392 AromaticContact CE1-ND1 3.36Å; Y381-H392 WeakPolarHBondContact CE1-ND1 3.38Å; Y381-H392 AromaticContact CE1-NE2 3.87Å; Y381-H392 AromaticContact CZ-CE1 3.6Å; Y381-H392 AromaticContact CZ-ND1 3.7Å; Y381-H392 PolarHBondContact OH-CE1 2.82Å; H392-R394 PolarHBondContact O-N 2.71Å; H392-R394 VanDerWaalsContact O-N 3.13Å; H392-Q395 HydrophobicContact CB-CB 4.39Å; H392-Q395 HydrophobicContact CB-CG 3.97Å; H392-Q395 PolarHBondContact CD2-NE2 3.36Å; H392-Q395 PolarHBondContact CD2-OE1 2.73Å; H392-Q395 WeakPolarHBondContact O-CB 3.31Å; H392-Q395 PolarHBondContact O-N 2.95Å
393	V	92.4	Very high	89.3	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-53.7	-42.9	-175.3	179.3	0	0	0	0	111	I356 M365 N366 L380 Q391 Q395 V396	I356-V393 HydrophobicContact CB-CG2 4.2Å; I356-V393 HydrophobicContact CG1-CG2 4.41Å; I356-V393 HydrophobicContact CG2-CG2 3.98Å; M365-V393 HydrophobicContact SD-CG1 4.42Å; N366-V393 PolarHBondContact ND2-O 3.38Å; N366-V393 PolarHBondContact OD1-O 3.33Å; L380-V393 HydrophobicContact CD2-CB 3.99Å; L380-V393 HydrophobicContact CD2-CG1 4.39Å; L380-V393 HydrophobicContact CD2-CG2 4.16Å; L380-V393 HydrophobicContact CG-CB 4.04Å; L380-V393 HydrophobicContact CG-CG2 3.73Å; L380-V393 PolarHBondContact O-N 2.84Å; Q391-V393 PolarHBondContact O-N 2.79Å; V393-Q395 PolarHBondContact O-N 3.33Å; V393-V396 PolarHBondContact O-N 3.22Å
394	R	87.3	Confident	89.1	Confident	120 Å²	120	82 Å²	82	45%	0.453	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-70.1	-7.1	-179.1	-75	-71.7	-60.2	-170	-2.9	115.4	M365 H392	M365-R394 PolarHBondContact O-NH1 2.81Å; H392-R394 PolarHBondContact O-N 2.71Å; H392-R394 VanDerWaalsContact O-N 3.13Å
395	Q	88.1	Confident	89.2	Confident	128 Å²	128	77.9 Å²	77.9	60%	0.598	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-97.2	-29.7	177.8	-66.7	176.9	11.2	0	0	112.8	H392 V393 H397	H392-Q395 HydrophobicContact CB-CB 4.39Å; H392-Q395 HydrophobicContact CB-CG 3.97Å; H392-Q395 PolarHBondContact CD2-NE2 3.36Å; H392-Q395 PolarHBondContact CD2-OE1 2.73Å; H392-Q395 WeakPolarHBondContact O-CB 3.31Å; H392-Q395 PolarHBondContact O-N 2.95Å; V393-Q395 PolarHBondContact O-N 3.33Å; Q395-H397 PolarHBondContact O-N 2.79Å
396	V	89.8	Confident	89.1	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.012	39%	0.389	C	S	.	.	S	Bend	trans	-63.9	119.5	175.5	179.5	0	0	0	0	109.3	N366 Y388 Q391 V393 M401	N366-V396 PolarHBondContact ND2-O 3.45Å; Y388-V396 HydrophobicContact CD1-CG1 3.98Å; Y388-V396 HydrophobicContact CD1-CG2 4.01Å; Y388-V396 HydrophobicContact CD2-CG1 4.13Å; Y388-V396 HydrophobicContact CE1-CG1 3.91Å; Y388-V396 HydrophobicContact CE2-CG1 4.07Å; Y388-V396 HydrophobicContact CG-CG1 4.13Å; Y388-V396 HydrophobicContact CG-CG2 4.05Å; Q391-V396 HydrophobicContact CB-CG2 4.18Å; V393-V396 PolarHBondContact O-N 3.22Å; V396-M401 HydrophobicContact CB-CE 3.86Å; V396-M401 HydrophobicContact CG1-CE 3.73Å; V396-M401 HydrophobicContact CG1-CG 4.07Å
397	H	88.5	Confident	89.3	Confident	90 Å²	90	75.9 Å²	75.9	42%	0.417	36%	0.36	S	S	.	.			trans	-73.7	137.7	-171.9	178.9	-109.3	0	0	0	110.7	Q395 R399 E400	Q395-H397 PolarHBondContact O-N 2.79Å; H397-R399 PolarHBondContact O-N 2.96Å; H397-E400 HydrophobicContact CB-CG 4.16Å; H397-E400 WeakPolarHBondContact CB-OE2 3.41Å; H397-E400 PolarHBondContact N-OE2 2.99Å; H397-E400 WeakPolarHBondContact O-CB 3.27Å; H397-E400 PolarHBondContact O-N 3.07Å
398	F	84.3	Confident	89.3	Confident	55 Å²	55	70.9 Å²	70.9	24%	0.241	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.2	-169.8	78	-87.9	0	0	0	115.3	R363 N366 M367	R363-F398 PolarHBondContact NH1-O 3.09Å; R363-F398 PolarHBondContact NH2-O 3.04Å; N366-F398 HydrophobicContact CB-CB 4.02Å; M367-F398 HydrophobicContact CG-CB 4.43Å
399	R	85.8	Confident	89.3	Confident	188 Å²	188	69.1 Å²	69.1	71%	0.709	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.4	174.9	-61.3	-173.3	-173	-177	-0.9	114.4	H397 M401	H397-R399 PolarHBondContact O-N 2.96Å; R399-M401 CarbonylContact C-O 3.57Å
400	E	86.9	Confident	89.1	Confident	109 Å²	109	62.7 Å²	62.7	51%	0.509	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-29.4	-178.9	-58.3	168.7	163.7	0	0	110.3	Y388 H397	Y388-E400 VanDerWaalsContact OH-C 3.25Å; Y388-E400 WeakPolarHBondContact OH-CB 3.34Å; Y388-E400 PolarHBondContact OH-O 3.12Å; H397-E400 HydrophobicContact CB-CG 4.16Å; H397-E400 WeakPolarHBondContact CB-OE2 3.41Å; H397-E400 PolarHBondContact N-OE2 2.99Å; H397-E400 WeakPolarHBondContact O-CB 3.27Å; H397-E400 PolarHBondContact O-N 3.07Å
401	M	88.6	Confident	88.3	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.03	30%	0.296	C	S	.	.	S	Bend	trans	-66.2	152.6	158.8	-60.8	176.8	-175.1	0	0	110.4	C358 V362 R363 N366 V396 R399	C358-M401 HydrophobicContact CB-CE 4.04Å; V362-M401 HydrophobicContact CG2-CE 4.41Å; V362-M401 HydrophobicContact CG2-SD 4.38Å; R363-M401 HydrophobicContact CB-SD 4.34Å; R363-M401 PolarHBondContact NH1-O 2.95Å; N366-M401 WeakPolarHBondContact ND2-CE 3.25Å; V396-M401 HydrophobicContact CB-CE 3.86Å; V396-M401 HydrophobicContact CG1-CE 3.73Å; V396-M401 HydrophobicContact CG1-CG 4.07Å; R399-M401 CarbonylContact C-O 3.57Å
402	M	84.8	Confident	87.8	Confident	102 Å²	102	63.6 Å²	63.6	50%	0.502	30%	0.297	S	S	.	.			trans	-78.7	162.3	176	-58	-176.1	78.7	0	0	112.1	C360 R363 I404	C360-M402 WeakPolarHBondContact CA-O 3.41Å; C360-M402 WeakPolarHBondContact CB-O 3.47Å; R363-M402 PolarHBondContact NH1-O 3.46Å; M402-I404 VanDerWaalsContact CB-O 3.28Å; M402-I404 WeakPolarHBondContact CB-O 3.44Å
403	E	88.1	Confident	87.1	Confident	137 Å²	137	62 Å²	62	64%	0.64	29%	0.29	S	S	*	.	S	Bend	trans	-89.7	-24.7	174.4	-74.7	-171.2	162.4	0	0	113.5	R363 E435	R363-E403 IonicContact CZ-OE1 2.8Å; R363-E403 IonicContact NE-OE1 2.73Å; R363-E403 IonicContact NH2-OE1 3.22Å; R363-E403 PolarHBondContact NH2-OE1 2.83Å; E403-E435 WeakPolarHBondContact O-CG 3.49Å
404	I	90.7	Very high	86.3	Confident	68 Å²	68	62.3 Å²	62.3	35%	0.349	29%	0.292	S	S	.	.	S	Bend	trans	-133.6	148.1	173.1	58.3	179	0	0	0	107.3	M402 E435 L487 V488	M402-I404 VanDerWaalsContact CB-O 3.28Å; M402-I404 WeakPolarHBondContact CB-O 3.44Å; I404-E435 CarbonylContact C-O 3.53Å; I404-E435 WeakPolarHBondContact CA-O 3.43Å; I404-E435 WeakPolarHBondContact CB-O 3.46Å; I404-E435 HydrophobicContact CG2-CG 4.45Å; I404-L487 HydrophobicContact CD1-CD1 3.93Å; I404-V488 HydrophobicContact CB-CG2 3.97Å; I404-V488 HydrophobicContact CD1-CG2 3.97Å; I404-V488 HydrophobicContact CG1-CG2 3.97Å
405	C	89.4	Confident	86	Confident	10 Å²	10	60 Å²	60	7%	0.068	29%	0.293	C	S	.	.			trans	-151.2	167.5	-178.8	66	0	0	0	0	113.1	D359 C360 E435 N486	D359-C405 PolarHBondContact OD2-SG 3.31Å; D359-C405 VanDerWaalsContact OD2-SG 3.33Å; C360-C405 HydrophobicContact CB-CB 3.71Å; C360-C405 WeakPolarHBondContact CB-SG 3.43Å; C360-C405 PolarHBondContact N-SG 2.91Å; C360-C405 VanDerWaalsContact N-SG 3.41Å; C360-C405 WeakPolarHBondContact SG-CB 3.39Å; C360-C405 PolarHBondContact SG-N 3.29Å; C360-C405 CovalentContact SG-SG 2.03Å; C360-C405 PolarHBondContact SG-SG 2.85Å; C405-E435 PolarHBondContact N-O 2.79Å; C405-N486 PolarHBondContact O-ND2 3.01Å
406	L	87.5	Confident	85.4	Confident	90 Å²	90	56.8 Å²	56.8	47%	0.471	29%	0.293	S	S	.	.			trans	-65.4	144.5	-179.3	-72.1	170.1	0	0	0	111.2	R357 V488	R357-L406 PolarHBondContact NH2-O 2.62Å; L406-V488 HydrophobicContact CD2-CB 4.18Å; L406-V488 HydrophobicContact CD2-CG1 3.91Å; L406-V488 HydrophobicContact CG-CG1 4.09Å
407	P	91.9	Very high	85.1	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.026	31%	0.31	C	S	.	.			trans	-56.7	153.7	169.9	-22.5	35.2	0	0	0	112.3	F433 A434 P438 A484 N486 D491	P407-F433 WeakPolarHBondContact CA-O 3.45Å; P407-A434 HydrophobicContact CB-CB 4.15Å; P407-A434 HydrophobicContact CG-CB 4.04Å; P407-P438 HydrophobicContact CB-CB 4.04Å; P407-P438 HydrophobicContact CB-CG 4.38Å; P407-P438 HydrophobicContact CG-CB 3.89Å; P407-A484 HydrophobicContact CB-CB 3.93Å; P407-A484 WeakPolarHBondContact CG-O 3.45Å; P407-N486 HydrophobicContact CG-CB 4.25Å; P407-D491 HydrophobicContact CB-CB 4.37Å; P407-D491 WeakPolarHBondContact O-CB 3.47Å
408	L	90.1	Very high	84.9	Confident	27 Å²	27	58.1 Å²	58.1	14%	0.141	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	120	167.5	176.4	53.2	0	0	0	108.7	A432 F433	L408-A432 WeakPolarHBondContact O-CA 3.05Å; L408-A432 WeakPolarHBondContact O-CB 3.16Å; L408-F433 HydrophobicContact CB-CD2 4.42Å; L408-F433 HydrophobicContact CB-CE2 3.84Å; L408-F433 HydrophobicContact CB-CZ 3.93Å; L408-F433 HydrophobicContact CD2-CE2 3.88Å; L408-F433 HydrophobicContact CD2-CZ 3.61Å; L408-F433 HydrophobicContact CG-CE2 4.16Å; L408-F433 HydrophobicContact CG-CZ 3.8Å; L408-F433 PolarHBondContact N-O 3.1Å; L408-F433 VanDerWaalsContact N-O 3.09Å; L408-F433 PolarHBondContact O-N 3.04Å; L408-F433 VanDerWaalsContact O-N 3.15Å
409	I	90.5	Very high	85	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	131.5	168.2	-60.3	167.2	0	0	0	107.4	R431 A432 C482 A484 D491 K493	I409-R431 WeakPolarHBondContact CA-O 3.5Å; I409-A432 HydrophobicContact CG1-CB 4.14Å; I409-C482 HydrophobicContact CD1-CB 4.29Å; I409-A484 HydrophobicContact CD1-CB 4.29Å; I409-A484 HydrophobicContact CG1-CB 3.86Å; I409-D491 PolarHBondContact N-OD2 3.13Å; I409-K493 HydrophobicContact CB-CB 4.35Å; I409-K493 HydrophobicContact CB-CD 4.44Å; I409-K493 HydrophobicContact CD1-CB 3.81Å; I409-K493 HydrophobicContact CG2-CB 4.01Å; I409-K493 HydrophobicContact CG2-CD 3.7Å
410	S	88.5	Confident	85.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.			trans	-55.7	137.7	-176.1	146	0	0	0	0	112	S309 E412 S413 R431 K493	S309-S410 VanDerWaalsContact CB-OG 3.31Å; S309-S410 WeakPolarHBondContact CB-OG 3.21Å; S309-S410 PolarHBondContact OG-OG 2.96Å; S410-E412 VanDerWaalsContact C-N 3.3Å; S410-E412 PolarHBondContact O-N 2.81Å; S410-E412 PolarHBondContact OG-N 3.08Å; S410-S413 PolarHBondContact O-N 2.99Å; S410-S413 WeakPolarHBondContact OG-CB 3.49Å; S410-S413 PolarHBondContact OG-N 2.91Å; S410-R431 PolarHBondContact N-O 2.97Å; S410-K493 PolarHBondContact O-NZ 3.28Å
411	P	75.8	Confident	85.2	Confident	70 Å²	70	50.1 Å²	50.1	46%	0.455	28%	0.279	S	S	.	.	S	Bend	trans	-56.7	-38.4	175.7	-28.1	36.5	0	0	0	114	K493	P411-K493 VanDerWaalsContact C-NZ 3.31Å; P411-K493 PolarHBondContact O-NZ 2.68Å
412	E	82.6	Confident	85.2	Confident	81 Å²	81	55.5 Å²	55.5	38%	0.379	30%	0.303	S	S	.	.	S	Bend	trans	-95.9	-18.6	-177.1	-57.1	-56	120	0	0	113.5	I284 K307 A331 S410 M414	I284-E412 HydrophobicContact CG2-CB 3.82Å; K307-E412 HydrophobicContact CB-CB 4.37Å; K307-E412 HydrophobicContact CB-CG 4.42Å; A331-E412 HydrophobicContact CB-CG 4.49Å; S410-E412 VanDerWaalsContact C-N 3.3Å; S410-E412 PolarHBondContact O-N 2.81Å; S410-E412 PolarHBondContact OG-N 3.08Å; E412-M414 PolarHBondContact O-N 3.16Å
413	S	76.8	Confident	85.3	Confident	9 Å²	9	52.8 Å²	52.8	6%	0.063	30%	0.301	C	S	.	.	S	Bend	trans	-65.2	-0.8	-174.6	88.9	0	0	0	0	116.1	S410 H429 R431	S410-S413 PolarHBondContact O-N 2.99Å; S410-S413 WeakPolarHBondContact OG-CB 3.49Å; S410-S413 PolarHBondContact OG-N 2.91Å; S413-H429 VanDerWaalsContact O-O 3.04Å; S413-R431 PolarHBondContact OG-N 3.05Å
414	M	77.5	Confident	85.3	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.039	28%	0.284	C	S	.	.	S	Bend	trans	-157.2	116.1	-177.3	-175.5	-170.9	-54.8	0	0	109.7	E412 H429 C430 W442 C482 K493 V495	E412-M414 PolarHBondContact O-N 3.16Å; M414-H429 WeakPolarHBondContact CE-O 3.42Å; M414-C430 HydrophobicContact CE-CB 3.92Å; M414-W442 HydrophobicContact CE-CH2 3.37Å; M414-W442 HydrophobicContact CE-CZ2 3.76Å; M414-W442 HydrophobicContact CE-CZ3 4.27Å; M414-W442 HydrophobicContact SD-CH2 3.92Å; M414-C482 HydrophobicContact CE-CB 3.64Å; M414-K493 HydrophobicContact CB-CD 3.99Å; M414-K493 HydrophobicContact CE-CB 4.17Å; M414-K493 HydrophobicContact CE-CD 4.44Å; M414-K493 HydrophobicContact CE-CG 4.47Å; M414-K493 WeakPolarHBondContact O-CE 3.47Å; M414-K493 PolarHBondContact O-NZ 3.28Å; M414-K493 HydrophobicContact SD-CB 4Å; M414-K493 HydrophobicContact SD-CD 4.11Å; M414-K493 HydrophobicContact SD-CG 3.84Å; M414-V495 HydrophobicContact CG-CB 4Å; M414-V495 HydrophobicContact CG-CG1 4.32Å; M414-V495 HydrophobicContact SD-CB 4.01Å; M414-V495 HydrophobicContact SD-CG1 4.07Å
415	P	79.3	Confident	85.2	Confident	72 Å²	72	48.6 Å²	48.6	47%	0.468	29%	0.293	S	S	.	.			trans	-72.1	154.9	174.4	32	-35.9	0	0	0	110.7	H417 I418 V495	P415-H417 PolarHBondContact O-N 3.19Å; P415-I418 HydrophobicContact CG-CD1 3.99Å; P415-I418 HydrophobicContact CG-CG1 3.76Å; P415-V495 WeakPolarHBondContact O-CB 3.32Å; P415-V495 WeakPolarHBondContact O-CG2 3.29Å
416	G	76.7	Confident	85.2	Confident	59 Å²	59	48.7 Å²	48.7	61%	0.608	29%	0.293	S	S	*	.	S	Bend	trans	-69.9	-18.3	176.1	0	0	0	0	0	114.4	L496	G416-L496 WeakPolarHBondContact O-CB 3.4Å; G416-L496 PolarHBondContact O-N 3.33Å
417	H	82.1	Confident	85.2	Confident	82 Å²	82	46.1 Å²	46.1	38%	0.38	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	134.8	-172.7	-166.3	-67.6	0	0	0	111.8	P415 K419 L496 E498	P415-H417 PolarHBondContact O-N 3.19Å; H417-K419 VanDerWaalsContact CE1-CG 3.49Å; H417-K419 WeakPolarHBondContact CE1-CG 3.43Å; H417-K419 PolarHBondContact CE1-N 3.13Å; H417-K419 WeakPolarHBondContact NE2-CE 3.43Å; H417-K419 WeakPolarHBondContact NE2-CG 3.03Å; H417-L496 CarbonylContact C-O 3.46Å; H417-L496 WeakPolarHBondContact CA-O 3.24Å; H417-E498 WeakPolarHBondContact NE2-CB 3.41Å; H417-E498 IonicContact NE2-OE1 2.78Å; H417-E498 IonicContact NE2-OE2 2.67Å; H417-E498 PolarHBondContact NE2-OE2 2.68Å
418	I	85.7	Confident	85.1	Confident	38 Å²	38	46 Å²	46	20%	0.195	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.7	175.9	-65.6	177	0	0	0	108.7	P415 V426 L428 V495 L496 E498	P415-I418 HydrophobicContact CG-CD1 3.99Å; P415-I418 HydrophobicContact CG-CG1 3.76Å; I418-V426 HydrophobicContact CG2-CG1 4.18Å; I418-L428 HydrophobicContact CD1-CD2 3.56Å; I418-V495 HydrophobicContact CB-CG2 4.49Å; I418-V495 HydrophobicContact CD1-CG2 3.79Å; I418-V495 HydrophobicContact CG1-CG2 3.87Å; I418-L496 PolarHBondContact N-O 3.05Å; I418-E498 PolarHBondContact O-N 3.17Å
419	K	86.9	Confident	85	Confident	142 Å²	142	46.4 Å²	46.4	62%	0.617	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	126.3	173.2	-66.8	-176	-179.6	-106.2	0	109.3	H417 E498	H417-K419 VanDerWaalsContact CE1-CG 3.49Å; H417-K419 WeakPolarHBondContact CE1-CG 3.43Å; H417-K419 PolarHBondContact CE1-N 3.13Å; H417-K419 WeakPolarHBondContact NE2-CE 3.43Å; H417-K419 WeakPolarHBondContact NE2-CG 3.03Å; K419-E498 WeakPolarHBondContact CA-O 3.29Å; K419-E498 WeakPolarHBondContact CE-OE2 3.11Å; K419-E498 HydrophobicContact CG-CB 4.39Å; K419-E498 IonicContact NZ-OE1 3.59Å; K419-E498 PolarHBondContact NZ-OE1 3.04Å; K419-E498 IonicContact NZ-OE2 2.92Å; K419-E498 PolarHBondContact NZ-OE2 3.14Å
420	A	87.4	Confident	85	Confident	11 Å²	11	46.2 Å²	46.2	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.1	-176.8	0	0	0	0	0	111.5	V426 V472 E498 V499 N500	A420-V426 HydrophobicContact CB-CG2 3.48Å; A420-V426 VanDerWaalsContact CB-CG2 3.48Å; A420-V472 HydrophobicContact CB-CG1 4.16Å; A420-E498 PolarHBondContact N-O 3.08Å; A420-V499 HydrophobicContact CB-CG2 4.32Å; A420-V499 WeakPolarHBondContact O-CA 3.42Å; A420-N500 PolarHBondContact O-N 2.93Å
421	G	87.6	Confident	85.2	Confident	31 Å²	31	46.3 Å²	46.3	32%	0.32	28%	0.282	S	S	.	.			trans	-83.8	144	169.1	0	0	0	0	0	111.2	G423 S424 N500	G421-G423 PolarHBondContact O-N 3.45Å; G421-S424 PolarHBondContact N-OG 2.74Å; G421-S424 VanDerWaalsContact N-OG 3.1Å; G421-S424 VanDerWaalsContact O-CB 3.28Å; G421-S424 WeakPolarHBondContact O-CB 3.32Å; G421-S424 PolarHBondContact O-N 2.83Å; G421-S424 PolarHBondContact O-OG 2.78Å; G421-N500 WeakPolarHBondContact CA-OD1 3.42Å
422	K	88.9	Confident	85.9	Confident	120 Å²	120	43.2 Å²	43.2	52%	0.522	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	125.5	170.4	-174.5	169.4	-174	163.7	0	110.4	S424 V472 E474 N500	K422-S424 VanDerWaalsContact C-N 3.31Å; K422-V472 CarbonylContact C-O 3.56Å; K422-V472 WeakPolarHBondContact CA-O 3.27Å; K422-E474 IonicContact NZ-OE1 2.64Å; K422-E474 PolarHBondContact NZ-OE1 2.86Å; K422-N500 VanDerWaalsContact CB-ND2 3.33Å; K422-N500 WeakPolarHBondContact CB-ND2 3.27Å; K422-N500 PolarHBondContact N-OD1 2.92Å
423	G	86.6	Confident	86.3	Confident	45 Å²	45	40.2 Å²	40.2	46%	0.464	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	2.1	-173.8	0	0	0	0	0	115	G421 V472	G421-G423 PolarHBondContact O-N 3.45Å; G423-V472 PolarHBondContact N-O 2.85Å
424	S	88.4	Confident	87	Confident	41 Å²	41	40 Å²	40	29%	0.287	25%	0.246	S	C	.	.			trans	-79.6	173.5	169.8	71.1	0	0	0	0	111.7	G421 K422 D471 V472	G421-S424 PolarHBondContact N-OG 2.74Å; G421-S424 VanDerWaalsContact N-OG 3.1Å; G421-S424 VanDerWaalsContact O-CB 3.28Å; G421-S424 WeakPolarHBondContact O-CB 3.32Å; G421-S424 PolarHBondContact O-N 2.83Å; G421-S424 PolarHBondContact O-OG 2.78Å; K422-S424 VanDerWaalsContact C-N 3.31Å; S424-D471 PolarHBondContact O-N 3.5Å; S424-V472 WeakPolarHBondContact O-CG2 3.34Å; S424-V472 PolarHBondContact O-N 3.13Å
425	S	89	Confident	87.6	Confident	76 Å²	76	41.4 Å²	41.4	53%	0.531	25%	0.253	S	S	.	.			trans	-109.2	146.6	170	-58.8	0	0	0	0	110	I469	S425-I469 CarbonylContact C-O 3.44Å; S425-I469 VanDerWaalsContact CA-O 3.22Å; S425-I469 WeakPolarHBondContact CA-O 3.2Å
426	V	89.2	Confident	88.3	Confident	11 Å²	11	40.1 Å²	40.1	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.5	-177.8	174	0	0	0	0	109.6	I418 A420 L428 D468 I469 V472	I418-V426 HydrophobicContact CG2-CG1 4.18Å; A420-V426 HydrophobicContact CB-CG2 3.48Å; A420-V426 VanDerWaalsContact CB-CG2 3.48Å; V426-L428 HydrophobicContact CG1-CD2 3.68Å; V426-L428 HydrophobicContact CG1-CG 4.36Å; V426-D468 CarbonylContact O-C 3.58Å; V426-I469 PolarHBondContact N-O 2.79Å; V426-I469 PolarHBondContact O-N 2.72Å; V426-V472 HydrophobicContact CB-CG2 4.23Å; V426-V472 HydrophobicContact CG2-CG2 3.92Å
427	S	88.3	Confident	89	Confident	37 Å²	37	43 Å²	43	26%	0.259	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.1	173.5	-60.1	0	0	0	0	110.3	D468	S427-D468 VanDerWaalsContact CB-OD1 3.23Å; S427-D468 WeakPolarHBondContact CB-OD1 3.32Å; S427-D468 PolarHBondContact OG-OD1 3.46Å
428	L	89.8	Confident	89.5	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	107	174.5	-54	-172.8	0	0	0	109.2	I418 V426 W442 F467 I469 Y480 V495 V497	I418-L428 HydrophobicContact CD1-CD2 3.56Å; V426-L428 HydrophobicContact CG1-CD2 3.68Å; V426-L428 HydrophobicContact CG1-CG 4.36Å; L428-W442 HydrophobicContact CB-CH2 3.65Å; L428-W442 HydrophobicContact CB-CZ2 3.6Å; L428-W442 HydrophobicContact CB-CZ3 4.33Å; L428-W442 HydrophobicContact CD1-CH2 4.19Å; L428-W442 HydrophobicContact CD1-CZ3 4.08Å; L428-W442 WeakPolarHBondContact O-CZ2 3.47Å; L428-F467 HydrophobicContact CB-CB 4.45Å; L428-F467 HydrophobicContact CD1-CD1 4.23Å; L428-F467 PolarHBondContact N-O 3.17Å; L428-F467 PolarHBondContact O-N 2.99Å; L428-I469 HydrophobicContact CD1-CD1 4.33Å; L428-Y480 HydrophobicContact CD1-CD1 3.94Å; L428-Y480 HydrophobicContact CD1-CD2 3.99Å; L428-Y480 HydrophobicContact CD1-CG 3.56Å; L428-V495 HydrophobicContact CD1-CG1 4.01Å; L428-V495 HydrophobicContact CD2-CG1 4.14Å; L428-V497 HydrophobicContact CD1-CG2 4.3Å; L428-V497 HydrophobicContact CD2-CG2 4.04Å
429	H	87.9	Confident	89.7	Confident	35 Å²	35	43.2 Å²	43.2	16%	0.162	25%	0.247	C	C	.	.			trans	-87.1	135.4	-179.9	-58.4	-55	0	0	0	111.3	R260 S413 M414 T466	R260-H429 PolarHBondContact NE-CD2 3.49Å; R260-H429 PolarHBondContact NE-CE1 2.98Å; R260-H429 PolarHBondContact NE-ND1 2.79Å; R260-H429 PolarHBondContact NE-NE2 3.33Å; R260-H429 VanDerWaalsContact NE-NE2 3.13Å; R260-H429 PolarHBondContact NH2-CE1 3.35Å; R260-H429 PolarHBondContact NH2-NE2 2.7Å; S413-H429 VanDerWaalsContact O-O 3.04Å; M414-H429 WeakPolarHBondContact CE-O 3.42Å; H429-T466 VanDerWaalsContact CE1-CG2 3.43Å; H429-T466 WeakPolarHBondContact CE1-CG2 3.29Å; H429-T466 VanDerWaalsContact ND1-CG2 3.26Å; H429-T466 WeakPolarHBondContact ND1-CG2 3.44Å; H429-T466 PolarHBondContact ND1-OG1 3.09Å
430	C	90.8	Very high	90	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.222	C	C	.	.			trans	-132.6	125.4	168	-167.7	0	0	0	0	107.9	M414 I440 W442 G465 C482	M414-C430 HydrophobicContact CE-CB 3.92Å; C430-I440 HydrophobicContact CB-CG2 4.19Å; C430-W442 HydrophobicContact CB-CZ2 3.79Å; C430-G465 PolarHBondContact N-O 2.92Å; C430-C482 HydrophobicContact CB-CB 3.71Å; C430-C482 WeakPolarHBondContact CB-SG 3.36Å; C430-C482 WeakPolarHBondContact SG-CB 3.49Å; C430-C482 CovalentContact SG-SG 2.03Å; C430-C482 PolarHBondContact SG-SG 3.02Å
431	R	91.4	Very high	90.1	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.008	22%	0.22	C	C	.	.			trans	-129.6	127.2	178.3	-63.4	-66	-175.5	-101.3	-0.9	108	D287 Y310 I409 S410 S413 E464 T466	D287-R431 VanDerWaalsContact CG-NH2 3.28Å; D287-R431 IonicContact OD1-CZ 3.18Å; D287-R431 IonicContact OD1-NE 3.62Å; D287-R431 PolarHBondContact OD1-NE 2.74Å; D287-R431 IonicContact OD1-NH2 3.78Å; D287-R431 PolarHBondContact OD1-NH2 3.39Å; D287-R431 IonicContact OD2-CZ 3.8Å; D287-R431 IonicContact OD2-NE 2.7Å; D287-R431 IonicContact OD2-NH2 3.19Å; D287-R431 PolarHBondContact OD2-NH2 2.64Å; Y310-R431 HydrophobicContact CD1-CB 3.73Å; Y310-R431 HydrophobicContact CD1-CG 3.84Å; Y310-R431 HydrophobicContact CD2-CB 3.77Å; Y310-R431 HydrophobicContact CE1-CB 4.03Å; Y310-R431 HydrophobicContact CE1-CG 4.14Å; Y310-R431 HydrophobicContact CE2-CB 4.07Å; Y310-R431 HydrophobicContact CG-CB 3.58Å; Y310-R431 HydrophobicContact CG-CG 4.16Å; I409-R431 WeakPolarHBondContact CA-O 3.5Å; S410-R431 PolarHBondContact N-O 2.97Å; S413-R431 PolarHBondContact OG-N 3.05Å; R431-E464 PolarHBondContact NH1-O 2.92Å; R431-E464 IonicContact NH1-OE1 3.15Å; R431-E464 IonicContact NH2-OE1 3.67Å; R431-T466 PolarHBondContact NH1-OG1 2.77Å; R431-T466 PolarHBondContact NH2-OG1 3.3Å
432	A	91.2	Very high	90.2	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.1	-176	0	0	0	0	0	112	Y310 L408 I409 P438 I440 A484	Y310-A432 WeakPolarHBondContact CE2-O 3.21Å; L408-A432 WeakPolarHBondContact O-CA 3.05Å; L408-A432 WeakPolarHBondContact O-CB 3.16Å; I409-A432 HydrophobicContact CG1-CB 4.14Å; A432-P438 HydrophobicContact CB-CG 4.05Å; A432-I440 HydrophobicContact CB-CD1 4.12Å; A432-A484 HydrophobicContact CB-CB 3.54Å
433	F	90.1	Very high	89.8	Confident	19 Å²	19	30.3 Å²	30.3	8%	0.083	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.7	175.4	49.4	-92.9	0	0	0	111.1	Y310 A334 V361 P407 L408	Y310-F433 HydrophobicContact CD2-CD1 4.12Å; Y310-F433 HydrophobicContact CE2-CD1 4.35Å; A334-F433 HydrophobicContact CB-CD2 4.22Å; A334-F433 HydrophobicContact CB-CE2 4.08Å; V361-F433 HydrophobicContact CG1-CD2 4.48Å; V361-F433 HydrophobicContact CG2-CD2 4.14Å; P407-F433 WeakPolarHBondContact CA-O 3.45Å; L408-F433 HydrophobicContact CB-CD2 4.42Å; L408-F433 HydrophobicContact CB-CE2 3.84Å; L408-F433 HydrophobicContact CB-CZ 3.93Å; L408-F433 HydrophobicContact CD2-CE2 3.88Å; L408-F433 HydrophobicContact CD2-CZ 3.61Å; L408-F433 HydrophobicContact CG-CE2 4.16Å; L408-F433 HydrophobicContact CG-CZ 3.8Å; L408-F433 PolarHBondContact N-O 3.1Å; L408-F433 VanDerWaalsContact N-O 3.09Å; L408-F433 PolarHBondContact O-N 3.04Å; L408-F433 VanDerWaalsContact O-N 3.15Å
434	A	91.8	Very high	89.7	Confident	3 Å²	3	29.1 Å²	29.1	3%	0.025	17%	0.165	C	C	.	.			trans	-165.9	168.6	178.1	0	0	0	0	0	109.8	P407 P436 P438 N486	P407-A434 HydrophobicContact CB-CB 4.15Å; P407-A434 HydrophobicContact CG-CB 4.04Å; A434-P436 CarbonylContact C-O 3.56Å; A434-P436 WeakPolarHBondContact CB-O 3.49Å; A434-P438 HydrophobicContact CB-CB 4.41Å; A434-P438 HydrophobicContact CB-CG 4.21Å; A434-N486 WeakPolarHBondContact CB-ND2 3.3Å
435	E	91.8	Very high	89.2	Confident	39 Å²	39	28.2 Å²	28.2	18%	0.182	16%	0.158	C	C	.	.	S	Bend	trans	-124.8	124.4	158.4	177.3	79.1	-96.1	0	0	108.6	R337 C360 E403 I404 C405	R337-E435 IonicContact CZ-OE2 3.24Å; R337-E435 IonicContact NH1-OE2 2.83Å; R337-E435 PolarHBondContact NH1-OE2 3.09Å; R337-E435 IonicContact NH2-OE1 3.57Å; R337-E435 IonicContact NH2-OE2 2.65Å; R337-E435 PolarHBondContact NH2-OE2 3.08Å; C360-E435 HydrophobicContact CB-CB 4.25Å; C360-E435 VanDerWaalsContact SG-CB 3.52Å; C360-E435 PolarHBondContact SG-N 2.83Å; E403-E435 WeakPolarHBondContact O-CG 3.49Å; I404-E435 CarbonylContact C-O 3.53Å; I404-E435 WeakPolarHBondContact CA-O 3.43Å; I404-E435 WeakPolarHBondContact CB-O 3.46Å; I404-E435 HydrophobicContact CG2-CG 4.45Å; C405-E435 PolarHBondContact N-O 2.79Å
436	P	92.9	Very high	88.4	Confident	44 Å²	44	29 Å²	29	29%	0.286	16%	0.163	S	C	.	.	S	Bend	cis	-63	159.2	-13.1	-22.8	37.4	0	0	0	112.9	A434 N486 L487	A434-P436 CarbonylContact C-O 3.56Å; A434-P436 WeakPolarHBondContact CB-O 3.49Å; P436-N486 PolarHBondContact O-ND2 2.91Å; P436-L487 HydrophobicContact CG-CD2 3.77Å; P436-L487 HydrophobicContact CG-CG 4.44Å
437	E	90.5	Very high	87.4	Confident	120 Å²	120	30.4 Å²	30.4	56%	0.561	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-50.8	136.4	179.2	-169.2	166.6	-159.7	0	0	111.7
438	P	92.5	Very high	86.9	Confident	15 Å²	15	32 Å²	32	10%	0.097	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-87.6	139.6	-170.9	32.9	-33.4	0	0	0	113.8	P407 A432 A434 I440 A484 H485	P407-P438 HydrophobicContact CB-CB 4.04Å; P407-P438 HydrophobicContact CB-CG 4.38Å; P407-P438 HydrophobicContact CG-CB 3.89Å; A432-P438 HydrophobicContact CB-CG 4.05Å; A434-P438 HydrophobicContact CB-CB 4.41Å; A434-P438 HydrophobicContact CB-CG 4.21Å; P438-I440 PolarHBondContact O-N 3.16Å; P438-A484 HydrophobicContact CB-CB 4.17Å; P438-A484 HydrophobicContact CG-CB 4.39Å; P438-H485 CarbonylContact C-O 3.55Å; P438-H485 VanDerWaalsContact CA-O 3.24Å; P438-H485 WeakPolarHBondContact CA-O 3.44Å
439	D	90.8	Very high	86.6	Confident	109 Å²	109	37.1 Å²	37.1	58%	0.583	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65	117.6	162.2	-75.3	-44.4	0	0	0	109.4	H485	D439-H485 PolarHBondContact N-O 2.78Å; D439-H485 PolarHBondContact O-N 2.77Å
440	I	92.6	Very high	86.7	Confident	17 Å²	17	36.1 Å²	36.1	9%	0.087	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.7	175.6	-58.2	179.4	0	0	0	109.7	C430 A432 P438 P452 M461 V483 A484	C430-I440 HydrophobicContact CB-CG2 4.19Å; A432-I440 HydrophobicContact CB-CD1 4.12Å; P438-I440 PolarHBondContact O-N 3.16Å; I440-P452 WeakPolarHBondContact O-CD 3.35Å; I440-P452 WeakPolarHBondContact O-CG 3.32Å; I440-M461 WeakPolarHBondContact O-CE 3.42Å; I440-V483 WeakPolarHBondContact CA-O 3.21Å; I440-A484 HydrophobicContact CG1-CB 4.34Å
441	Y	90.5	Very high	86.6	Confident	14 Å²	14	40 Å²	40	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.6	173.9	70.4	-95.7	0	0	0	112.3	I443 R449 I450 V483 H485	Y441-I443 HydrophobicContact CD2-CG1 4.3Å; Y441-I443 HydrophobicContact CE2-CD1 4.16Å; Y441-I443 HydrophobicContact CE2-CG1 3.97Å; Y441-R449 HydrophobicContact CD2-CG 3.55Å; Y441-R449 HydrophobicContact CE2-CG 3.79Å; Y441-R449 HydrophobicContact CG-CG 4.32Å; Y441-I450 WeakPolarHBondContact CB-O 3.27Å; Y441-V483 HydrophobicContact CD1-CB 4.08Å; Y441-V483 HydrophobicContact CD1-CG1 4.46Å; Y441-V483 HydrophobicContact CD2-CB 4.13Å; Y441-V483 HydrophobicContact CD2-CG2 4.26Å; Y441-V483 HydrophobicContact CE1-CB 3.71Å; Y441-V483 HydrophobicContact CE1-CG1 3.7Å; Y441-V483 HydrophobicContact CE1-CG2 4.47Å; Y441-V483 HydrophobicContact CE2-CB 3.78Å; Y441-V483 HydrophobicContact CE2-CG1 4.39Å; Y441-V483 HydrophobicContact CE2-CG2 3.69Å; Y441-V483 HydrophobicContact CG-CB 4.32Å; Y441-V483 PolarHBondContact N-O 3.09Å; Y441-V483 PolarHBondContact O-N 3.17Å; Y441-H485 HydrophobicContact CE1-CB 4.39Å
442	W	89.7	Confident	86.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.5	-178.9	-80.3	93.3	0	0	0	112.1	M414 L428 C430 R449 I450 G465 F467 T481 C482 V495	M414-W442 HydrophobicContact CE-CH2 3.37Å; M414-W442 HydrophobicContact CE-CZ2 3.76Å; M414-W442 HydrophobicContact CE-CZ3 4.27Å; M414-W442 HydrophobicContact SD-CH2 3.92Å; L428-W442 HydrophobicContact CB-CH2 3.65Å; L428-W442 HydrophobicContact CB-CZ2 3.6Å; L428-W442 HydrophobicContact CB-CZ3 4.33Å; L428-W442 HydrophobicContact CD1-CH2 4.19Å; L428-W442 HydrophobicContact CD1-CZ3 4.08Å; L428-W442 WeakPolarHBondContact O-CZ2 3.47Å; C430-W442 HydrophobicContact CB-CZ2 3.79Å; W442-R449 CarbonylContact O-C 3.38Å; W442-R449 WeakPolarHBondContact O-CA 3.34Å; W442-I450 PolarHBondContact N-O 3.35Å; W442-I450 VanDerWaalsContact N-O 3.12Å; W442-I450 PolarHBondContact O-N 3.28Å; W442-G465 PolarHBondContact NE1-O 2.99Å; W442-F467 HydrophobicContact CD2-CB 4.24Å; W442-F467 HydrophobicContact CG-CB 3.9Å; W442-F467 HydrophobicContact CG-CG 4.28Å; W442-T481 CarbonylContact C-O 3.52Å; W442-T481 VanDerWaalsContact CE3-C 3.41Å; W442-C482 HydrophobicContact CD2-CB 4.06Å; W442-C482 HydrophobicContact CE3-CB 4.08Å; W442-C482 HydrophobicContact CH2-CB 3.97Å; W442-C482 HydrophobicContact CZ2-CB 3.92Å; W442-C482 HydrophobicContact CZ3-CB 4.03Å; W442-V495 HydrophobicContact CH2-CG1 3.92Å; W442-V495 HydrophobicContact CZ3-CG1 3.92Å
443	I	81	Confident	86.5	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.7	172.7	-55.4	168.8	0	0	0	107.6	Y441 T448 Y480 T481 V483 D560	Y441-I443 HydrophobicContact CD2-CG1 4.3Å; Y441-I443 HydrophobicContact CE2-CD1 4.16Å; Y441-I443 HydrophobicContact CE2-CG1 3.97Å; I443-T448 WeakPolarHBondContact CA-O 3.25Å; I443-Y480 WeakPolarHBondContact O-CA 3.24Å; I443-T481 PolarHBondContact N-O 3.19Å; I443-T481 PolarHBondContact O-N 3.02Å; I443-V483 HydrophobicContact CD1-CG2 3.6Å; I443-V483 HydrophobicContact CG1-CG2 4.21Å; I443-D560 HydrophobicContact CD1-CB 3.89Å; I443-D560 WeakPolarHBondContact CD1-OD1 3.08Å; I443-D560 HydrophobicContact CG1-CB 4.26Å; I443-D560 HydrophobicContact CG2-CB 4.41Å
444	T	83.8	Confident	86.5	Confident	20 Å²	20	47.7 Å²	47.7	12%	0.123	27%	0.271	C	S	.	.			trans	-77.9	167.5	179.3	64.7	0	0	0	0	112.4	S446 G447 T448 I450 Y480	T444-S446 PolarHBondContact O-N 2.92Å; T444-S446 VanDerWaalsContact O-N 3.1Å; T444-S446 PolarHBondContact OG1-OG 3.04Å; T444-G447 PolarHBondContact O-N 3.27Å; T444-T448 PolarHBondContact N-O 2.85Å; T444-T448 VanDerWaalsContact OG1-CB 3.26Å; T444-T448 WeakPolarHBondContact OG1-CB 3.43Å; T444-T448 PolarHBondContact OG1-N 2.99Å; T444-T448 PolarHBondContact OG1-O 3.01Å; T444-I450 HydrophobicContact CG2-CD1 4.06Å; T444-I450 HydrophobicContact CG2-CG1 3.8Å; T444-Y480 HydrophobicContact CG2-CE1 4.17Å
445	P	77.4	Confident	86.5	Confident	23 Å²	23	54.8 Å²	54.8	15%	0.149	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.2	173.7	-25.7	33	0	0	0	114.5	G447 V479 Y480 G532	P445-G447 VanDerWaalsContact C-N 3.27Å; P445-G447 PolarHBondContact O-N 2.95Å; P445-V479 WeakPolarHBondContact CA-O 3.45Å; P445-Y480 VanDerWaalsContact CD-CZ 3.41Å; P445-Y480 HydrophobicContact CG-CD2 4.01Å; P445-Y480 HydrophobicContact CG-CE1 4.39Å; P445-Y480 HydrophobicContact CG-CE2 3.63Å; P445-G532 PolarHBondContact O-N 3.37Å
446	S	73.1	Confident	86.4	Confident	92 Å²	92	55 Å²	55	64%	0.643	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.3	174.3	57.2	0	0	0	0	114.5	T444 T448	T444-S446 PolarHBondContact O-N 2.92Å; T444-S446 VanDerWaalsContact O-N 3.1Å; T444-S446 PolarHBondContact OG1-OG 3.04Å; S446-T448 PolarHBondContact OG-OG1 3.37Å
447	G	68.3	Low	86.2	Confident	41 Å²	41	61 Å²	61	42%	0.423	34%	0.341	S	S	.	.			trans	76.4	20.8	-174.1	0	0	0	0	0	113.9	T444 P445	T444-G447 PolarHBondContact O-N 3.27Å; P445-G447 VanDerWaalsContact C-N 3.27Å; P445-G447 PolarHBondContact O-N 2.95Å
448	T	77.9	Confident	86.2	Confident	71 Å²	71	58.4 Å²	58.4	44%	0.436	33%	0.328	S	S	.	.			trans	-89.5	126.7	-180	-48.2	0	0	0	0	110	I443 T444 S446 I450	I443-T448 WeakPolarHBondContact CA-O 3.25Å; T444-T448 PolarHBondContact N-O 2.85Å; T444-T448 VanDerWaalsContact OG1-CB 3.26Å; T444-T448 WeakPolarHBondContact OG1-CB 3.43Å; T444-T448 PolarHBondContact OG1-N 2.99Å; T444-T448 PolarHBondContact OG1-O 3.01Å; S446-T448 PolarHBondContact OG-OG1 3.37Å; T448-I450 HydrophobicContact CG2-CD1 4.22Å
449	R	83.7	Confident	86.2	Confident	108 Å²	108	60.1 Å²	60.1	41%	0.408	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.4	175.5	-176	171.1	-177.3	-155.5	-3.2	110.5	Y441 W442 L451	Y441-R449 HydrophobicContact CD2-CG 3.55Å; Y441-R449 HydrophobicContact CE2-CG 3.79Å; Y441-R449 HydrophobicContact CG-CG 4.32Å; W442-R449 CarbonylContact O-C 3.38Å; W442-R449 WeakPolarHBondContact O-CA 3.34Å; R449-L451 HydrophobicContact CG-CD2 4.13Å
450	I	88.5	Confident	86.3	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.072	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.6	176.1	-46.5	-60.4	0	0	0	108.6	Y441 W442 T444 T448 F459 M461 F467	Y441-I450 WeakPolarHBondContact CB-O 3.27Å; W442-I450 PolarHBondContact N-O 3.35Å; W442-I450 VanDerWaalsContact N-O 3.12Å; W442-I450 PolarHBondContact O-N 3.28Å; T444-I450 HydrophobicContact CG2-CD1 4.06Å; T444-I450 HydrophobicContact CG2-CG1 3.8Å; T448-I450 HydrophobicContact CG2-CD1 4.22Å; I450-F459 HydrophobicContact CD1-CZ 4.15Å; I450-F459 HydrophobicContact CG2-CD2 4.4Å; I450-F459 HydrophobicContact CG2-CE2 3.93Å; I450-M461 HydrophobicContact CG2-CB 3.81Å; I450-M461 HydrophobicContact CG2-CG 3.94Å; I450-F467 HydrophobicContact CB-CE2 4.39Å; I450-F467 HydrophobicContact CG1-CE2 4.24Å; I450-F467 HydrophobicContact CG1-CZ 4.35Å; I450-F467 HydrophobicContact CG2-CD2 4.3Å; I450-F467 HydrophobicContact CG2-CE2 3.89Å
451	L	90.2	Very high	86.3	Confident	83 Å²	83	56.8 Å²	56.8	44%	0.435	31%	0.312	S	S	.	.			trans	-98.6	160.4	-173.8	-62.8	177.3	0	0	0	112.2	R449 N453 S454 M461	R449-L451 HydrophobicContact CG-CD2 4.13Å; L451-N453 PolarHBondContact O-N 3.12Å; L451-S454 PolarHBondContact N-OG 3.39Å; L451-S454 WeakPolarHBondContact O-CB 3.3Å; L451-S454 PolarHBondContact O-N 2.9Å; L451-S454 VanDerWaalsContact O-N 3.1Å; L451-S454 PolarHBondContact O-OG 3.2Å; L451-M461 WeakPolarHBondContact O-CB 3.2Å; L451-M461 WeakPolarHBondContact O-CG 3.32Å
452	P	89.1	Confident	86.3	Confident	50 Å²	50	58.5 Å²	58.5	33%	0.325	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.7	135.7	168.3	-33.7	38.4	0	0	0	114.3	I440 S454 M461	I440-P452 WeakPolarHBondContact O-CD 3.35Å; I440-P452 WeakPolarHBondContact O-CG 3.32Å; P452-S454 PolarHBondContact O-N 3.46Å; P452-M461 VanDerWaalsContact CA-SD 3.54Å; P452-M461 HydrophobicContact CG-CE 4.08Å
453	N	89.8	Confident	86.1	Confident	98 Å²	98	62 Å²	62	52%	0.524	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	11	-178.5	-50.8	-76	0	0	0	115.8	L451 M455 M461	L451-N453 PolarHBondContact O-N 3.12Å; N453-M455 PolarHBondContact O-N 3.1Å; N453-M461 WeakPolarHBondContact CA-O 3.15Å; N453-M461 PolarHBondContact N-O 2.87Å
454	S	90.6	Very high	86.2	Confident	38 Å²	38	64 Å²	64	27%	0.266	35%	0.353	S	S	.	.			trans	-67.6	125	174.3	-60	0	0	0	0	111.1	L451 P452 M461	L451-S454 PolarHBondContact N-OG 3.39Å; L451-S454 WeakPolarHBondContact O-CB 3.3Å; L451-S454 PolarHBondContact O-N 2.9Å; L451-S454 VanDerWaalsContact O-N 3.1Å; L451-S454 PolarHBondContact O-OG 3.2Å; P452-S454 PolarHBondContact O-N 3.46Å; S454-M461 PolarHBondContact O-N 3.37Å
455	M	91.5	Very high	86.5	Confident	152 Å²	152	63 Å²	63	75%	0.749	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.2	-179.1	-173.7	-164.2	-67.7	0	0	111.4	N453 Y460	N453-M455 PolarHBondContact O-N 3.1Å; M455-Y460 HydrophobicContact CB-CD2 4.03Å; M455-Y460 HydrophobicContact CG-CD2 4.28Å
456	S	90.4	Very high	87	Confident	44 Å²	44	62.1 Å²	62.1	31%	0.308	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	174	163.4	76.4	0	0	0	0	110.9	K458 F459	S456-K458 PolarHBondContact O-N 3.42Å; S456-K458 PolarHBondContact OG-N 3.23Å; S456-K458 VanDerWaalsContact OG-N 3.15Å; S456-F459 PolarHBondContact N-O 3.06Å; S456-F459 PolarHBondContact O-N 2.86Å; S456-F459 WeakPolarHBondContact OG-CD1 3.36Å; S456-F459 WeakPolarHBondContact OG-CE1 3.37Å; S456-F459 WeakPolarHBondContact OG-CG 3.49Å; S456-F459 PolarHBondContact OG-N 2.88Å
457	N	88.1	Confident	88	Confident	169 Å²	169	58 Å²	58	90%	0.904	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-6.7	172.9	-62.8	10.4	0	0	0	114.1
458	K	90	Very high	89.1	Confident	67 Å²	67	56.9 Å²	56.9	29%	0.291	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-13.7	-178.8	-83.5	-65.2	-161.3	-176.7	0	114.5	S456 I469 Y470 D471	S456-K458 PolarHBondContact O-N 3.42Å; S456-K458 PolarHBondContact OG-N 3.23Å; S456-K458 VanDerWaalsContact OG-N 3.15Å; K458-I469 WeakPolarHBondContact O-CA 3.36Å; K458-Y470 VanDerWaalsContact CD-O 3.26Å; K458-Y470 WeakPolarHBondContact CD-O 3.22Å; K458-Y470 PolarHBondContact O-N 2.88Å; K458-D471 VanDerWaalsContact NZ-CG 3.29Å; K458-D471 PolarHBondContact NZ-O 2.81Å; K458-D471 IonicContact NZ-OD2 3.87Å; K458-D471 PolarHBondContact NZ-OD2 2.93Å
459	F	93.4	Very high	89.8	Confident	50 Å²	50	53.8 Å²	53.8	22%	0.219	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	157.7	-178.5	64.9	-105.4	0	0	0	112.9	I450 S456 F467 D468	I450-F459 HydrophobicContact CD1-CZ 4.15Å; I450-F459 HydrophobicContact CG2-CD2 4.4Å; I450-F459 HydrophobicContact CG2-CE2 3.93Å; S456-F459 PolarHBondContact N-O 3.06Å; S456-F459 PolarHBondContact O-N 2.86Å; S456-F459 WeakPolarHBondContact OG-CD1 3.36Å; S456-F459 WeakPolarHBondContact OG-CE1 3.37Å; S456-F459 WeakPolarHBondContact OG-CG 3.49Å; S456-F459 PolarHBondContact OG-N 2.88Å; F459-F467 HydrophobicContact CB-CE2 3.65Å; F459-F467 HydrophobicContact CB-CZ 3.82Å; F459-F467 HydrophobicContact CD1-CE2 4.47Å; F459-F467 HydrophobicContact CD1-CZ 4.41Å; F459-F467 AromaticContact CD2-CE2 3.65Å; F459-F467 HydrophobicContact CD2-CE2 3.65Å; F459-F467 HydrophobicContact CD2-CZ 4.36Å; F459-F467 HydrophobicContact CE2-CE2 4.42Å; F459-F467 AromaticContact CG-CE2 3.69Å; F459-F467 HydrophobicContact CG-CE2 3.69Å; F459-F467 AromaticContact CG-CZ 3.98Å; F459-F467 HydrophobicContact CG-CZ 3.98Å; F459-D468 CarbonylContact C-O 3.54Å; F459-D468 WeakPolarHBondContact CA-O 3.42Å; F459-D468 WeakPolarHBondContact CB-O 3.33Å
460	Y	93.6	Very high	90.2	Very high	57 Å²	57	52.5 Å²	52.5	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.9	163.5	-179.1	-125	0	0	0	110.5	M455 H462 D468	M455-Y460 HydrophobicContact CB-CD2 4.03Å; M455-Y460 HydrophobicContact CG-CD2 4.28Å; Y460-H462 AromaticContact CD1-CD2 3.66Å; Y460-H462 AromaticContact CD1-CE1 3.66Å; Y460-H462 AromaticContact CD1-CG 3.74Å; Y460-H462 AromaticContact CD1-ND1 3.74Å; Y460-H462 AromaticContact CD1-NE2 3.61Å; Y460-H462 HydrophobicContact CE1-CB 4.24Å; Y460-H462 AromaticContact CE1-CE1 3.78Å; Y460-H462 AromaticContact CE1-CG 3.59Å; Y460-H462 AromaticContact CE1-ND1 3.42Å; Y460-H462 WeakPolarHBondContact CE1-ND1 3.19Å; Y460-D468 PolarHBondContact N-O 3.39Å; Y460-D468 PolarHBondContact O-N 3.29Å
461	M	92.4	Very high	90.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.8	174.9	-160.4	-61.6	-166.7	0	0	108	I440 I450 L451 P452 N453 S454 F467	I440-M461 WeakPolarHBondContact O-CE 3.42Å; I450-M461 HydrophobicContact CG2-CB 3.81Å; I450-M461 HydrophobicContact CG2-CG 3.94Å; L451-M461 WeakPolarHBondContact O-CB 3.2Å; L451-M461 WeakPolarHBondContact O-CG 3.32Å; P452-M461 VanDerWaalsContact CA-SD 3.54Å; P452-M461 HydrophobicContact CG-CE 4.08Å; N453-M461 WeakPolarHBondContact CA-O 3.15Å; N453-M461 PolarHBondContact N-O 2.87Å; S454-M461 PolarHBondContact O-N 3.37Å; M461-F467 HydrophobicContact CB-CD2 4.01Å; M461-F467 HydrophobicContact CG-CD2 4.1Å
462	H	89.2	Confident	90.3	Very high	50 Å²	50	52.5 Å²	52.5	23%	0.231	27%	0.273	C	S	.	.			trans	-75.3	142.9	179.5	-58.1	-111.5	0	0	0	110.7	Y460 E464 G465 T466 D468	Y460-H462 AromaticContact CD1-CD2 3.66Å; Y460-H462 AromaticContact CD1-CE1 3.66Å; Y460-H462 AromaticContact CD1-CG 3.74Å; Y460-H462 AromaticContact CD1-ND1 3.74Å; Y460-H462 AromaticContact CD1-NE2 3.61Å; Y460-H462 HydrophobicContact CE1-CB 4.24Å; Y460-H462 AromaticContact CE1-CE1 3.78Å; Y460-H462 AromaticContact CE1-CG 3.59Å; Y460-H462 AromaticContact CE1-ND1 3.42Å; Y460-H462 WeakPolarHBondContact CE1-ND1 3.19Å; H462-E464 WeakPolarHBondContact CB-OE1 3.16Å; H462-E464 VanDerWaalsContact CB-OE2 3.24Å; H462-E464 WeakPolarHBondContact CB-OE2 3.39Å; H462-E464 PolarHBondContact O-N 2.82Å; H462-E464 VanDerWaalsContact O-N 3.1Å; H462-G465 PolarHBondContact O-N 3.47Å; H462-T466 PolarHBondContact CD2-O 3.46Å; H462-T466 PolarHBondContact N-O 2.81Å; H462-D468 IonicContact CD2-OD2 2.9Å; H462-D468 IonicContact CE1-OD2 3.95Å; H462-D468 VanDerWaalsContact NE2-CG 3.34Å; H462-D468 IonicContact NE2-OD1 2.79Å; H462-D468 IonicContact NE2-OD2 3.09Å; H462-D468 PolarHBondContact NE2-OD2 3.3Å
463	P	85.9	Confident	90.3	Very high	72 Å²	72	51.1 Å²	51.1	47%	0.468	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.4	-172	24.5	-34.6	0	0	0	114.7	G465	P463-G465 PolarHBondContact O-N 2.82Å
464	E	84	Confident	90.2	Very high	45 Å²	45	50.2 Å²	50.2	21%	0.21	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	14.5	177.4	81.5	-48.5	134.2	0	0	114.4	R431 H462 T466	R431-E464 PolarHBondContact NH1-O 2.92Å; R431-E464 IonicContact NH1-OE1 3.15Å; R431-E464 IonicContact NH2-OE1 3.67Å; H462-E464 WeakPolarHBondContact CB-OE1 3.16Å; H462-E464 VanDerWaalsContact CB-OE2 3.24Å; H462-E464 WeakPolarHBondContact CB-OE2 3.39Å; H462-E464 PolarHBondContact O-N 2.82Å; H462-E464 VanDerWaalsContact O-N 3.1Å; E464-T466 WeakPolarHBondContact OE1-CB 3.33Å; E464-T466 PolarHBondContact OE1-OG1 2.76Å
465	G	88.6	Confident	90	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	96.1	4.5	169.1	0	0	0	0	0	115.8	C430 W442 H462 P463	C430-G465 PolarHBondContact N-O 2.92Å; W442-G465 PolarHBondContact NE1-O 2.99Å; H462-G465 PolarHBondContact O-N 3.47Å; P463-G465 PolarHBondContact O-N 2.82Å
466	T	89.5	Confident	89.8	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.025	25%	0.252	C	S	.	.			trans	-76.4	133	171.5	-52.2	0	0	0	0	110.6	H429 R431 H462 E464	H429-T466 VanDerWaalsContact CE1-CG2 3.43Å; H429-T466 WeakPolarHBondContact CE1-CG2 3.29Å; H429-T466 VanDerWaalsContact ND1-CG2 3.26Å; H429-T466 WeakPolarHBondContact ND1-CG2 3.44Å; H429-T466 PolarHBondContact ND1-OG1 3.09Å; R431-T466 PolarHBondContact NH1-OG1 2.77Å; R431-T466 PolarHBondContact NH2-OG1 3.3Å; H462-T466 PolarHBondContact CD2-O 3.46Å; H462-T466 PolarHBondContact N-O 2.81Å; E464-T466 WeakPolarHBondContact OE1-CB 3.33Å; E464-T466 PolarHBondContact OE1-OG1 2.76Å
467	F	92.6	Very high	89.6	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	105.2	172.7	-180	-116	0	0	0	110.4	L428 W442 I450 F459 M461 I469 Y480	L428-F467 HydrophobicContact CB-CB 4.45Å; L428-F467 HydrophobicContact CD1-CD1 4.23Å; L428-F467 PolarHBondContact N-O 3.17Å; L428-F467 PolarHBondContact O-N 2.99Å; W442-F467 HydrophobicContact CD2-CB 4.24Å; W442-F467 HydrophobicContact CG-CB 3.9Å; W442-F467 HydrophobicContact CG-CG 4.28Å; I450-F467 HydrophobicContact CB-CE2 4.39Å; I450-F467 HydrophobicContact CG1-CE2 4.24Å; I450-F467 HydrophobicContact CG1-CZ 4.35Å; I450-F467 HydrophobicContact CG2-CD2 4.3Å; I450-F467 HydrophobicContact CG2-CE2 3.89Å; F459-F467 HydrophobicContact CB-CE2 3.65Å; F459-F467 HydrophobicContact CB-CZ 3.82Å; F459-F467 HydrophobicContact CD1-CE2 4.47Å; F459-F467 HydrophobicContact CD1-CZ 4.41Å; F459-F467 AromaticContact CD2-CE2 3.65Å; F459-F467 HydrophobicContact CD2-CE2 3.65Å; F459-F467 HydrophobicContact CD2-CZ 4.36Å; F459-F467 HydrophobicContact CE2-CE2 4.42Å; F459-F467 AromaticContact CG-CE2 3.69Å; F459-F467 HydrophobicContact CG-CE2 3.69Å; F459-F467 AromaticContact CG-CZ 3.98Å; F459-F467 HydrophobicContact CG-CZ 3.98Å; M461-F467 HydrophobicContact CB-CD2 4.01Å; M461-F467 HydrophobicContact CG-CD2 4.1Å; F467-I469 HydrophobicContact CD1-CD1 4.09Å; F467-I469 HydrophobicContact CD1-CG1 3.88Å; F467-I469 HydrophobicContact CE1-CD1 3.67Å; F467-I469 HydrophobicContact CE1-CG1 3.53Å; F467-I469 HydrophobicContact CZ-CG1 4.17Å; F467-Y480 HydrophobicContact CD1-CD1 4.35Å; F467-Y480 HydrophobicContact CD1-CE1 4.46Å; F467-Y480 AromaticContact CE1-CD1 3.98Å; F467-Y480 HydrophobicContact CE1-CD1 3.98Å; F467-Y480 AromaticContact CE1-CE1 3.7Å; F467-Y480 HydrophobicContact CE1-CE1 3.7Å
468	D	91.4	Very high	89.3	Confident	18 Å²	18	39.7 Å²	39.7	10%	0.096	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.6	175.5	-71.8	-13.5	0	0	0	110.8	V426 S427 F459 Y460 H462 Y470	V426-D468 CarbonylContact O-C 3.58Å; S427-D468 VanDerWaalsContact CB-OD1 3.23Å; S427-D468 WeakPolarHBondContact CB-OD1 3.32Å; S427-D468 PolarHBondContact OG-OD1 3.46Å; F459-D468 CarbonylContact C-O 3.54Å; F459-D468 WeakPolarHBondContact CA-O 3.42Å; F459-D468 WeakPolarHBondContact CB-O 3.33Å; Y460-D468 PolarHBondContact N-O 3.39Å; Y460-D468 PolarHBondContact O-N 3.29Å; H462-D468 IonicContact CD2-OD2 2.9Å; H462-D468 IonicContact CE1-OD2 3.95Å; H462-D468 VanDerWaalsContact NE2-CG 3.34Å; H462-D468 IonicContact NE2-OD1 2.79Å; H462-D468 IonicContact NE2-OD2 3.09Å; H462-D468 PolarHBondContact NE2-OD2 3.3Å; D468-Y470 HydrophobicContact CB-CD1 4.49Å; D468-Y470 HydrophobicContact CB-CE1 3.6Å; D468-Y470 HydrophobicContact CB-CE2 4.35Å; D468-Y470 VanDerWaalsContact CB-OH 3.29Å; D468-Y470 WeakPolarHBondContact CB-OH 3.07Å; D468-Y470 PolarHBondContact OD2-OH 3.37Å
469	I	92.6	Very high	88.8	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.6	174.7	-44.6	175.9	0	0	0	107.8	S425 V426 L428 K458 F467 V472 E476 Y480	S425-I469 CarbonylContact C-O 3.44Å; S425-I469 VanDerWaalsContact CA-O 3.22Å; S425-I469 WeakPolarHBondContact CA-O 3.2Å; V426-I469 PolarHBondContact N-O 2.79Å; V426-I469 PolarHBondContact O-N 2.72Å; L428-I469 HydrophobicContact CD1-CD1 4.33Å; K458-I469 WeakPolarHBondContact O-CA 3.36Å; F467-I469 HydrophobicContact CD1-CD1 4.09Å; F467-I469 HydrophobicContact CD1-CG1 3.88Å; F467-I469 HydrophobicContact CE1-CD1 3.67Å; F467-I469 HydrophobicContact CE1-CG1 3.53Å; F467-I469 HydrophobicContact CZ-CG1 4.17Å; I469-V472 HydrophobicContact CB-CG2 4.05Å; I469-V472 HydrophobicContact CG2-CG2 3.82Å; I469-E476 HydrophobicContact CG2-CB 4.45Å; I469-E476 HydrophobicContact CG2-CG 4.08Å; I469-Y480 HydrophobicContact CD1-CE1 3.85Å; I469-Y480 HydrophobicContact CD1-CE2 4.22Å
470	Y	92.7	Very high	88.4	Confident	82 Å²	82	35 Å²	35	32%	0.322	18%	0.177	S	C	.	.			trans	-112.8	143.5	-173.8	-50.6	-54.7	0	0	0	111.5	K458 D468	K458-Y470 VanDerWaalsContact CD-O 3.26Å; K458-Y470 WeakPolarHBondContact CD-O 3.22Å; K458-Y470 PolarHBondContact O-N 2.88Å; D468-Y470 HydrophobicContact CB-CD1 4.49Å; D468-Y470 HydrophobicContact CB-CE1 3.6Å; D468-Y470 HydrophobicContact CB-CE2 4.35Å; D468-Y470 VanDerWaalsContact CB-OH 3.29Å; D468-Y470 WeakPolarHBondContact CB-OH 3.07Å; D468-Y470 PolarHBondContact OD2-OH 3.37Å
471	D	89.6	Confident	87.9	Confident	95 Å²	95	32.5 Å²	32.5	51%	0.508	17%	0.167	S	C	.	.	S	Bend	trans	53.8	55.3	-178.2	176.3	45.5	0	0	0	111.5	S424 K458 S473	S424-D471 PolarHBondContact O-N 3.5Å; K458-D471 VanDerWaalsContact NZ-CG 3.29Å; K458-D471 PolarHBondContact NZ-O 2.81Å; K458-D471 IonicContact NZ-OD2 3.87Å; K458-D471 PolarHBondContact NZ-OD2 2.93Å; D471-S473 PolarHBondContact O-N 3.09Å
472	V	90.8	Very high	87.9	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.167	C	C	.	.			trans	-63.1	130.1	-172.7	173.5	0	0	0	0	111.3	A420 K422 G423 S424 V426 I469 E476 V499	A420-V472 HydrophobicContact CB-CG1 4.16Å; K422-V472 CarbonylContact C-O 3.56Å; K422-V472 WeakPolarHBondContact CA-O 3.27Å; G423-V472 PolarHBondContact N-O 2.85Å; S424-V472 WeakPolarHBondContact O-CG2 3.34Å; S424-V472 PolarHBondContact O-N 3.13Å; V426-V472 HydrophobicContact CB-CG2 4.23Å; V426-V472 HydrophobicContact CG2-CG2 3.92Å; I469-V472 HydrophobicContact CB-CG2 4.05Å; I469-V472 HydrophobicContact CG2-CG2 3.82Å; V472-E476 HydrophobicContact CG1-CB 4.2Å; V472-V499 HydrophobicContact CG1-CB 4.43Å; V472-V499 HydrophobicContact CG1-CG1 3.99Å; V472-V499 HydrophobicContact CG1-CG2 3.51Å
473	S	90.3	Very high	87.8	Confident	21 Å²	21	30.1 Å²	30.1	15%	0.147	16%	0.156	C	C	.	.			trans	-122.6	178.2	177.2	84.5	0	0	0	0	111.6	D471 N475 E476	D471-S473 PolarHBondContact O-N 3.09Å; S473-N475 PolarHBondContact O-N 3.27Å; S473-N475 VanDerWaalsContact O-N 3.11Å; S473-N475 PolarHBondContact OG-N 2.91Å; S473-N475 PolarHBondContact OG-ND2 2.62Å; S473-E476 VanDerWaalsContact CA-OE2 3.26Å; S473-E476 WeakPolarHBondContact CA-OE2 3.24Å; S473-E476 WeakPolarHBondContact CB-OE2 3.11Å; S473-E476 PolarHBondContact N-OE2 3.36Å; S473-E476 PolarHBondContact O-N 2.89Å; S473-E476 PolarHBondContact OG-OE2 2.98Å
474	E	87.6	Confident	88	Confident	79 Å²	79	26.7 Å²	26.7	37%	0.369	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-58.8	-21.3	176.5	-68.4	144.9	-113.1	0	0	113	K422 E476 A477 Y502	K422-E474 IonicContact NZ-OE1 2.64Å; K422-E474 PolarHBondContact NZ-OE1 2.86Å; E474-E476 VanDerWaalsContact C-N 3.34Å; E474-A477 WeakPolarHBondContact O-CB 3.47Å; E474-A477 PolarHBondContact O-N 3.3Å; E474-Y502 HydrophobicContact CB-CD1 3.8Å; E474-Y502 HydrophobicContact CB-CE1 4.09Å; E474-Y502 HydrophobicContact CB-CG 4.13Å; E474-Y502 HydrophobicContact CG-CD1 4.08Å; E474-Y502 HydrophobicContact CG-CD2 4.49Å; E474-Y502 HydrophobicContact CG-CG 3.93Å; E474-Y502 VanDerWaalsContact O-CE1 3.24Å; E474-Y502 WeakPolarHBondContact O-CE1 3.04Å
475	N	86.1	Confident	88.2	Confident	140 Å²	140	27.3 Å²	27.3	75%	0.749	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-72.8	-25.8	175.7	-55.7	-65.9	0	0	0	113.3	S473	S473-N475 PolarHBondContact O-N 3.27Å; S473-N475 VanDerWaalsContact O-N 3.11Å; S473-N475 PolarHBondContact OG-N 2.91Å; S473-N475 PolarHBondContact OG-ND2 2.62Å
476	E	87.7	Confident	88.2	Confident	36 Å²	36	27.7 Å²	27.7	17%	0.168	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-91.8	1.4	178.1	-66.5	75.2	-152.5	0	0	112.2	I469 V472 S473 E474 Y480	I469-E476 HydrophobicContact CG2-CB 4.45Å; I469-E476 HydrophobicContact CG2-CG 4.08Å; V472-E476 HydrophobicContact CG1-CB 4.2Å; S473-E476 VanDerWaalsContact CA-OE2 3.26Å; S473-E476 WeakPolarHBondContact CA-OE2 3.24Å; S473-E476 WeakPolarHBondContact CB-OE2 3.11Å; S473-E476 PolarHBondContact N-OE2 3.36Å; S473-E476 PolarHBondContact O-N 2.89Å; S473-E476 PolarHBondContact OG-OE2 2.98Å; E474-E476 VanDerWaalsContact C-N 3.34Å; E476-Y480 WeakPolarHBondContact O-CE2 3.48Å; E476-Y480 PolarHBondContact O-OH 3.25Å; E476-Y480 VanDerWaalsContact O-OH 3.1Å
477	A	85.5	Confident	88	Confident	5 Å²	5	33.7 Å²	33.7	4%	0.041	17%	0.17	C	C	.	.			trans	-73.7	138.4	171	0	0	0	0	0	111	E474 V497 V499 Y502 P504	E474-A477 WeakPolarHBondContact O-CB 3.47Å; E474-A477 PolarHBondContact O-N 3.3Å; A477-V497 WeakPolarHBondContact CA-O 3.08Å; A477-V499 HydrophobicContact CB-CB 4.19Å; A477-V499 HydrophobicContact CB-CG2 3.76Å; A477-Y502 HydrophobicContact CB-CD1 3.69Å; A477-Y502 HydrophobicContact CB-CE1 4.1Å; A477-P504 WeakPolarHBondContact O-CG 3.04Å
478	G	81.5	Confident	87.7	Confident	1 Å²	1	36 Å²	36	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.5	-159.3	178.7	0	0	0	0	0	114.4	V497	G478-V497 PolarHBondContact N-O 2.88Å; G478-V497 PolarHBondContact O-N 3.16Å
479	V	79.4	Confident	87.2	Confident	8 Å²	8	36.1 Å²	36.1	5%	0.048	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.7	179.8	-168.9	0	0	0	0	109.8	P445 F503 L534 I584	P445-V479 WeakPolarHBondContact CA-O 3.45Å; V479-F503 HydrophobicContact CG2-CE2 4.46Å; V479-F503 HydrophobicContact CG2-CZ 4Å; V479-L534 HydrophobicContact CG1-CD2 4.05Å; V479-I584 HydrophobicContact CB-CD1 4.48Å; V479-I584 HydrophobicContact CG1-CD1 4.26Å; V479-I584 HydrophobicContact CG2-CD1 3.39Å
480	Y	86.1	Confident	86.7	Confident	11 Å²	11	37.7 Å²	37.7	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.1	170.1	-69.7	-98.7	0	0	0	108.8	L428 I443 T444 P445 F467 I469 E476 S494 V495 V497	L428-Y480 HydrophobicContact CD1-CD1 3.94Å; L428-Y480 HydrophobicContact CD1-CD2 3.99Å; L428-Y480 HydrophobicContact CD1-CG 3.56Å; I443-Y480 WeakPolarHBondContact O-CA 3.24Å; T444-Y480 HydrophobicContact CG2-CE1 4.17Å; P445-Y480 VanDerWaalsContact CD-CZ 3.41Å; P445-Y480 HydrophobicContact CG-CD2 4.01Å; P445-Y480 HydrophobicContact CG-CE1 4.39Å; P445-Y480 HydrophobicContact CG-CE2 3.63Å; F467-Y480 HydrophobicContact CD1-CD1 4.35Å; F467-Y480 HydrophobicContact CD1-CE1 4.46Å; F467-Y480 AromaticContact CE1-CD1 3.98Å; F467-Y480 HydrophobicContact CE1-CD1 3.98Å; F467-Y480 AromaticContact CE1-CE1 3.7Å; F467-Y480 HydrophobicContact CE1-CE1 3.7Å; I469-Y480 HydrophobicContact CD1-CE1 3.85Å; I469-Y480 HydrophobicContact CD1-CE2 4.22Å; E476-Y480 WeakPolarHBondContact O-CE2 3.48Å; E476-Y480 PolarHBondContact O-OH 3.25Å; E476-Y480 VanDerWaalsContact O-OH 3.1Å; Y480-S494 CarbonylContact O-C 3.57Å; Y480-S494 WeakPolarHBondContact O-CA 3.39Å; Y480-V495 PolarHBondContact N-O 2.81Å; Y480-V495 PolarHBondContact O-N 3.16Å; Y480-V497 HydrophobicContact CD2-CB 4.2Å; Y480-V497 HydrophobicContact CD2-CG2 3.68Å; Y480-V497 HydrophobicContact CE2-CB 4.14Å; Y480-V497 HydrophobicContact CE2-CG2 3.98Å
481	T	83.5	Confident	86.1	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.025	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.8	178.7	-58.6	0	0	0	0	110.4	W442 I443 L492 K493 S494	W442-T481 CarbonylContact C-O 3.52Å; W442-T481 VanDerWaalsContact CE3-C 3.41Å; I443-T481 PolarHBondContact N-O 3.19Å; I443-T481 PolarHBondContact O-N 3.02Å; T481-L492 HydrophobicContact CG2-CB 4.47Å; T481-L492 HydrophobicContact CG2-CD2 4.1Å; T481-K493 CarbonylContact C-O 3.55Å; T481-K493 WeakPolarHBondContact CA-O 3.5Å; T481-S494 WeakPolarHBondContact CG2-OG 3.49Å; T481-S494 PolarHBondContact OG1-OG 3.37Å
482	C	90.6	Very high	85.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	142.2	166.3	179.2	0	0	0	0	109.5	I409 M414 C430 W442 L492 K493	I409-C482 HydrophobicContact CD1-CB 4.29Å; M414-C482 HydrophobicContact CE-CB 3.64Å; C430-C482 HydrophobicContact CB-CB 3.71Å; C430-C482 WeakPolarHBondContact CB-SG 3.36Å; C430-C482 WeakPolarHBondContact SG-CB 3.49Å; C430-C482 CovalentContact SG-SG 2.03Å; C430-C482 PolarHBondContact SG-SG 3.02Å; W442-C482 HydrophobicContact CD2-CB 4.06Å; W442-C482 HydrophobicContact CE3-CB 4.08Å; W442-C482 HydrophobicContact CH2-CB 3.97Å; W442-C482 HydrophobicContact CZ2-CB 3.92Å; W442-C482 HydrophobicContact CZ3-CB 4.03Å; C482-L492 WeakPolarHBondContact O-CA 3.5Å; C482-K493 PolarHBondContact N-O 3.48Å; C482-K493 PolarHBondContact O-N 3.4Å; C482-K493 VanDerWaalsContact O-N 3.15Å
483	V	87.6	Confident	85.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.9	168.5	-171.8	0	0	0	0	107.8	I440 Y441 I443 A490 D491 L492 P558	I440-V483 WeakPolarHBondContact CA-O 3.21Å; Y441-V483 HydrophobicContact CD1-CB 4.08Å; Y441-V483 HydrophobicContact CD1-CG1 4.46Å; Y441-V483 HydrophobicContact CD2-CB 4.13Å; Y441-V483 HydrophobicContact CD2-CG2 4.26Å; Y441-V483 HydrophobicContact CE1-CB 3.71Å; Y441-V483 HydrophobicContact CE1-CG1 3.7Å; Y441-V483 HydrophobicContact CE1-CG2 4.47Å; Y441-V483 HydrophobicContact CE2-CB 3.78Å; Y441-V483 HydrophobicContact CE2-CG1 4.39Å; Y441-V483 HydrophobicContact CE2-CG2 3.69Å; Y441-V483 HydrophobicContact CG-CB 4.32Å; Y441-V483 PolarHBondContact N-O 3.09Å; Y441-V483 PolarHBondContact O-N 3.17Å; I443-V483 HydrophobicContact CD1-CG2 3.6Å; I443-V483 HydrophobicContact CG1-CG2 4.21Å; V483-A490 HydrophobicContact CG1-CB 3.97Å; V483-D491 WeakPolarHBondContact CA-O 3.38Å; V483-L492 HydrophobicContact CG1-CD2 4.41Å; V483-L492 HydrophobicContact CG1-CG 4.18Å; V483-L492 HydrophobicContact CG2-CD2 3.68Å; V483-L492 HydrophobicContact CG2-CG 4.11Å; V483-P558 HydrophobicContact CG1-CG 4.27Å; V483-P558 HydrophobicContact CG2-CB 4.49Å
484	A	91.5	Very high	84.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.3	167.8	0	0	0	0	0	107.9	P407 I409 A432 P438 I440 A490 D491	P407-A484 HydrophobicContact CB-CB 3.93Å; P407-A484 WeakPolarHBondContact CG-O 3.45Å; I409-A484 HydrophobicContact CD1-CB 4.29Å; I409-A484 HydrophobicContact CG1-CB 3.86Å; A432-A484 HydrophobicContact CB-CB 3.54Å; P438-A484 HydrophobicContact CB-CB 4.17Å; P438-A484 HydrophobicContact CG-CB 4.39Å; I440-A484 HydrophobicContact CG1-CB 4.34Å; A484-A490 CarbonylContact O-C 3.53Å; A484-A490 WeakPolarHBondContact O-CA 3.46Å; A484-A490 WeakPolarHBondContact O-CB 3.47Å; A484-D491 PolarHBondContact N-O 3.12Å; A484-D491 PolarHBondContact O-N 3.02Å
485	H	87.6	Confident	84.7	Confident	58 Å²	58	31.4 Å²	31.4	27%	0.269	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.5	-170.4	174.6	42.2	0	0	0	112	P438 D439 Y441 G489 A490	P438-H485 CarbonylContact C-O 3.55Å; P438-H485 VanDerWaalsContact CA-O 3.24Å; P438-H485 WeakPolarHBondContact CA-O 3.44Å; D439-H485 PolarHBondContact N-O 2.78Å; D439-H485 PolarHBondContact O-N 2.77Å; Y441-H485 HydrophobicContact CE1-CB 4.39Å; H485-G489 WeakPolarHBondContact CA-O 3.36Å; H485-G489 PolarHBondContact ND1-O 3.14Å; H485-A490 HydrophobicContact CB-CB 4.06Å
486	N	88.7	Confident	84.6	Confident	9 Å²	9	25.8 Å²	25.8	5%	0.048	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	-177.8	164.9	76.7	2.6	0	0	0	110.9	C405 P407 A434 P436 V488 G489	C405-N486 PolarHBondContact O-ND2 3.01Å; P407-N486 HydrophobicContact CG-CB 4.25Å; A434-N486 WeakPolarHBondContact CB-ND2 3.3Å; P436-N486 PolarHBondContact O-ND2 2.91Å; N486-V488 PolarHBondContact O-N 2.85Å; N486-V488 WeakPolarHBondContact OD1-CA 3.47Å; N486-V488 VanDerWaalsContact OD1-CB 3.32Å; N486-V488 WeakPolarHBondContact OD1-CB 3.46Å; N486-V488 PolarHBondContact OD1-N 3.33Å; N486-G489 PolarHBondContact N-O 3.2Å; N486-G489 PolarHBondContact O-N 2.99Å; N486-G489 PolarHBondContact OD1-N 2.99Å
487	L	85.3	Confident	84.5	Confident	130 Å²	130	24.1 Å²	24.1	68%	0.681	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-8.6	-178.4	69.7	90.5	0	0	0	115.7	I404 P436	I404-L487 HydrophobicContact CD1-CD1 3.93Å; P436-L487 HydrophobicContact CG-CD2 3.77Å; P436-L487 HydrophobicContact CG-CG 4.44Å
488	V	85.6	Confident	84.6	Confident	52 Å²	52	25.7 Å²	25.7	32%	0.315	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-32.3	175	-166.7	0	0	0	0	111.4	I404 L406 N486	I404-V488 HydrophobicContact CB-CG2 3.97Å; I404-V488 HydrophobicContact CD1-CG2 3.97Å; I404-V488 HydrophobicContact CG1-CG2 3.97Å; L406-V488 HydrophobicContact CD2-CB 4.18Å; L406-V488 HydrophobicContact CD2-CG1 3.91Å; L406-V488 HydrophobicContact CG-CG1 4.09Å; N486-V488 PolarHBondContact O-N 2.85Å; N486-V488 WeakPolarHBondContact OD1-CA 3.47Å; N486-V488 VanDerWaalsContact OD1-CB 3.32Å; N486-V488 WeakPolarHBondContact OD1-CB 3.46Å; N486-V488 PolarHBondContact OD1-N 3.33Å
489	G	81.8	Confident	85.1	Confident	21 Å²	21	25.6 Å²	25.6	22%	0.216	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-149.9	-178.3	0	0	0	0	0	112.6	H485 N486	H485-G489 WeakPolarHBondContact CA-O 3.36Å; H485-G489 PolarHBondContact ND1-O 3.14Å; N486-G489 PolarHBondContact N-O 3.2Å; N486-G489 PolarHBondContact O-N 2.99Å; N486-G489 PolarHBondContact OD1-N 2.99Å
490	A	80.8	Confident	85.3	Confident	39 Å²	39	30.7 Å²	30.7	32%	0.322	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.8	177.8	0	0	0	0	0	112.2	V483 A484 H485 L492	V483-A490 HydrophobicContact CG1-CB 3.97Å; A484-A490 CarbonylContact O-C 3.53Å; A484-A490 WeakPolarHBondContact O-CA 3.46Å; A484-A490 WeakPolarHBondContact O-CB 3.47Å; H485-A490 HydrophobicContact CB-CB 4.06Å; A490-L492 HydrophobicContact CB-CD1 4.46Å
491	D	81.4	Confident	85	Confident	39 Å²	39	32.8 Å²	32.8	21%	0.209	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	153	167.8	-177.1	36.1	0	0	0	110.5	P407 I409 V483 A484	P407-D491 HydrophobicContact CB-CB 4.37Å; P407-D491 WeakPolarHBondContact O-CB 3.47Å; I409-D491 PolarHBondContact N-OD2 3.13Å; V483-D491 WeakPolarHBondContact CA-O 3.38Å; A484-D491 PolarHBondContact N-O 3.12Å; A484-D491 PolarHBondContact O-N 3.02Å
492	L	81.2	Confident	84.8	Confident	27 Å²	27	37.7 Å²	37.7	14%	0.141	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129	-167.8	-69.7	101.8	0	0	0	112.6	T481 C482 V483 A490 A535 P558	T481-L492 HydrophobicContact CG2-CB 4.47Å; T481-L492 HydrophobicContact CG2-CD2 4.1Å; C482-L492 WeakPolarHBondContact O-CA 3.5Å; V483-L492 HydrophobicContact CG1-CD2 4.41Å; V483-L492 HydrophobicContact CG1-CG 4.18Å; V483-L492 HydrophobicContact CG2-CD2 3.68Å; V483-L492 HydrophobicContact CG2-CG 4.11Å; A490-L492 HydrophobicContact CB-CD1 4.46Å; L492-A535 HydrophobicContact CD2-CB 4.02Å; L492-P558 HydrophobicContact CD1-CG 4.27Å; L492-P558 HydrophobicContact CD2-CB 3.98Å; L492-P558 HydrophobicContact CD2-CG 4.04Å
493	K	81.1	Confident	84.1	Confident	45 Å²	45	39.5 Å²	39.5	20%	0.196	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.1	178	-158.6	175.5	-177.8	-165.3	0	110.5	I409 S410 P411 M414 T481 C482	I409-K493 HydrophobicContact CB-CB 4.35Å; I409-K493 HydrophobicContact CB-CD 4.44Å; I409-K493 HydrophobicContact CD1-CB 3.81Å; I409-K493 HydrophobicContact CG2-CB 4.01Å; I409-K493 HydrophobicContact CG2-CD 3.7Å; S410-K493 PolarHBondContact O-NZ 3.28Å; P411-K493 VanDerWaalsContact C-NZ 3.31Å; P411-K493 PolarHBondContact O-NZ 2.68Å; M414-K493 HydrophobicContact CB-CD 3.99Å; M414-K493 HydrophobicContact CE-CB 4.17Å; M414-K493 HydrophobicContact CE-CD 4.44Å; M414-K493 HydrophobicContact CE-CG 4.47Å; M414-K493 WeakPolarHBondContact O-CE 3.47Å; M414-K493 PolarHBondContact O-NZ 3.28Å; M414-K493 HydrophobicContact SD-CB 4Å; M414-K493 HydrophobicContact SD-CD 4.11Å; M414-K493 HydrophobicContact SD-CG 3.84Å; T481-K493 CarbonylContact C-O 3.55Å; T481-K493 WeakPolarHBondContact CA-O 3.5Å; C482-K493 PolarHBondContact N-O 3.48Å; C482-K493 PolarHBondContact O-N 3.4Å; C482-K493 VanDerWaalsContact O-N 3.15Å
494	S	81.8	Confident	83.1	Confident	34 Å²	34	41.5 Å²	41.5	24%	0.238	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.3	-175.8	-54.2	0	0	0	0	111.5	Y480 T481	Y480-S494 CarbonylContact O-C 3.57Å; Y480-S494 WeakPolarHBondContact O-CA 3.39Å; T481-S494 WeakPolarHBondContact CG2-OG 3.49Å; T481-S494 PolarHBondContact OG1-OG 3.37Å
495	V	83.7	Confident	81.4	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.3	175.8	55.2	0	0	0	0	110.2	M414 P415 I418 L428 W442 Y480	M414-V495 HydrophobicContact CG-CB 4Å; M414-V495 HydrophobicContact CG-CG1 4.32Å; M414-V495 HydrophobicContact SD-CB 4.01Å; M414-V495 HydrophobicContact SD-CG1 4.07Å; P415-V495 WeakPolarHBondContact O-CB 3.32Å; P415-V495 WeakPolarHBondContact O-CG2 3.29Å; I418-V495 HydrophobicContact CB-CG2 4.49Å; I418-V495 HydrophobicContact CD1-CG2 3.79Å; I418-V495 HydrophobicContact CG1-CG2 3.87Å; L428-V495 HydrophobicContact CD1-CG1 4.01Å; L428-V495 HydrophobicContact CD2-CG1 4.14Å; W442-V495 HydrophobicContact CH2-CG1 3.92Å; W442-V495 HydrophobicContact CZ3-CG1 3.92Å; Y480-V495 PolarHBondContact N-O 2.81Å; Y480-V495 PolarHBondContact O-N 3.16Å
496	L	83.5	Confident	79.7	Confident	22 Å²	22	51 Å²	51	12%	0.115	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.3	174.5	-165.1	168.9	0	0	0	109.5	G416 H417 I418 E498 F503 I584	G416-L496 WeakPolarHBondContact O-CB 3.4Å; G416-L496 PolarHBondContact O-N 3.33Å; H417-L496 CarbonylContact C-O 3.46Å; H417-L496 WeakPolarHBondContact CA-O 3.24Å; I418-L496 PolarHBondContact N-O 3.05Å; L496-E498 HydrophobicContact CD2-CB 4.18Å; L496-F503 HydrophobicContact CD1-CD2 4.46Å; L496-F503 HydrophobicContact CD1-CE2 4.04Å; L496-F503 HydrophobicContact CD1-CZ 4.23Å; L496-F503 HydrophobicContact CD2-CD2 3.38Å; L496-F503 HydrophobicContact CD2-CE2 3.43Å; L496-F503 VanDerWaalsContact CD2-CE2 3.43Å; L496-F503 HydrophobicContact CD2-CG 4.33Å; L496-F503 HydrophobicContact CD2-CZ 4.39Å; L496-F503 HydrophobicContact CG-CD2 3.95Å; L496-F503 HydrophobicContact CG-CE2 3.45Å; L496-F503 VanDerWaalsContact CG-CE2 3.45Å; L496-F503 HydrophobicContact CG-CZ 4.04Å; L496-I584 HydrophobicContact CD1-CD1 4.28Å; L496-I584 HydrophobicContact CD1-CG2 4.02Å
497	V	86.8	Confident	77.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.2	172.7	-179.5	0	0	0	0	109.5	L428 A477 G478 Y480 V499	L428-V497 HydrophobicContact CD1-CG2 4.3Å; L428-V497 HydrophobicContact CD2-CG2 4.04Å; A477-V497 WeakPolarHBondContact CA-O 3.08Å; G478-V497 PolarHBondContact N-O 2.88Å; G478-V497 PolarHBondContact O-N 3.16Å; Y480-V497 HydrophobicContact CD2-CB 4.2Å; Y480-V497 HydrophobicContact CD2-CG2 3.68Å; Y480-V497 HydrophobicContact CE2-CB 4.14Å; Y480-V497 HydrophobicContact CE2-CG2 3.98Å; V497-V499 HydrophobicContact CG1-CG2 4.24Å
498	E	87.9	Confident	75.6	Confident	37 Å²	37	54.4 Å²	54.4	17%	0.173	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.1	175.2	-179.3	-160.9	123	0	0	109.2	H417 I418 K419 A420 L496 G501	H417-E498 WeakPolarHBondContact NE2-CB 3.41Å; H417-E498 IonicContact NE2-OE1 2.78Å; H417-E498 IonicContact NE2-OE2 2.67Å; H417-E498 PolarHBondContact NE2-OE2 2.68Å; I418-E498 PolarHBondContact O-N 3.17Å; K419-E498 WeakPolarHBondContact CA-O 3.29Å; K419-E498 WeakPolarHBondContact CE-OE2 3.11Å; K419-E498 HydrophobicContact CG-CB 4.39Å; K419-E498 IonicContact NZ-OE1 3.59Å; K419-E498 PolarHBondContact NZ-OE1 3.04Å; K419-E498 IonicContact NZ-OE2 2.92Å; K419-E498 PolarHBondContact NZ-OE2 3.14Å; A420-E498 PolarHBondContact N-O 3.08Å; L496-E498 HydrophobicContact CD2-CB 4.18Å; E498-G501 WeakPolarHBondContact OE1-CA 3.42Å
499	V	90.4	Very high	74.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113.4	-175.1	-175.7	0	0	0	0	110.3	A420 V472 A477 V497 G501 Y502	A420-V499 HydrophobicContact CB-CG2 4.32Å; A420-V499 WeakPolarHBondContact O-CA 3.42Å; V472-V499 HydrophobicContact CG1-CB 4.43Å; V472-V499 HydrophobicContact CG1-CG1 3.99Å; V472-V499 HydrophobicContact CG1-CG2 3.51Å; A477-V499 HydrophobicContact CB-CB 4.19Å; A477-V499 HydrophobicContact CB-CG2 3.76Å; V497-V499 HydrophobicContact CG1-CG2 4.24Å; V499-G501 PolarHBondContact O-N 2.8Å; V499-G501 VanDerWaalsContact O-N 3.12Å; V499-Y502 PolarHBondContact N-O 2.78Å; V499-Y502 WeakPolarHBondContact O-CA 3.41Å; V499-Y502 VanDerWaalsContact O-CB 3.26Å; V499-Y502 WeakPolarHBondContact O-CB 3.03Å; V499-Y502 PolarHBondContact O-N 3.4Å
500	N	85.5	Confident	73	Confident	114 Å²	114	57.4 Å²	57.4	61%	0.61	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	30.3	-175.6	-80.8	13.5	0	0	0	114.7	A420 G421 K422 Y502	A420-N500 PolarHBondContact O-N 2.93Å; G421-N500 WeakPolarHBondContact CA-OD1 3.42Å; K422-N500 VanDerWaalsContact CB-ND2 3.33Å; K422-N500 WeakPolarHBondContact CB-ND2 3.27Å; K422-N500 PolarHBondContact N-OD1 2.92Å; N500-Y502 VanDerWaalsContact C-N 3.27Å; N500-Y502 PolarHBondContact O-N 3.5Å
501	G	78.2	Confident	72.7	Confident	56 Å²	56	55.6 Å²	55.6	58%	0.577	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-1.8	-173.7	0	0	0	0	0	114.9	E498 V499	E498-G501 WeakPolarHBondContact OE1-CA 3.42Å; V499-G501 PolarHBondContact O-N 2.8Å; V499-G501 VanDerWaalsContact O-N 3.12Å
502	Y	79.4	Confident	72.6	Confident	106 Å²	106	57.7 Å²	57.7	42%	0.416	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-82	129.7	167.4	-178	-90.7	0	0	0	110.5	E474 A477 V499 N500 P504	E474-Y502 HydrophobicContact CB-CD1 3.8Å; E474-Y502 HydrophobicContact CB-CE1 4.09Å; E474-Y502 HydrophobicContact CB-CG 4.13Å; E474-Y502 HydrophobicContact CG-CD1 4.08Å; E474-Y502 HydrophobicContact CG-CD2 4.49Å; E474-Y502 HydrophobicContact CG-CG 3.93Å; E474-Y502 VanDerWaalsContact O-CE1 3.24Å; E474-Y502 WeakPolarHBondContact O-CE1 3.04Å; A477-Y502 HydrophobicContact CB-CD1 3.69Å; A477-Y502 HydrophobicContact CB-CE1 4.1Å; V499-Y502 PolarHBondContact N-O 2.78Å; V499-Y502 WeakPolarHBondContact O-CA 3.41Å; V499-Y502 VanDerWaalsContact O-CB 3.26Å; V499-Y502 WeakPolarHBondContact O-CB 3.03Å; V499-Y502 PolarHBondContact O-N 3.4Å; N500-Y502 VanDerWaalsContact C-N 3.27Å; N500-Y502 PolarHBondContact O-N 3.5Å; Y502-P504 HydrophobicContact CE1-CB 4.4Å
503	F	76.8	Confident	72.8	Confident	39 Å²	39	56.7 Å²	56.7	17%	0.171	34%	0.343	C	S	.	.			trans	-134.8	137.1	163.1	-177.2	-98.7	0	0	0	107.4	V479 L496 Q505	V479-F503 HydrophobicContact CG2-CE2 4.46Å; V479-F503 HydrophobicContact CG2-CZ 4Å; L496-F503 HydrophobicContact CD1-CD2 4.46Å; L496-F503 HydrophobicContact CD1-CE2 4.04Å; L496-F503 HydrophobicContact CD1-CZ 4.23Å; L496-F503 HydrophobicContact CD2-CD2 3.38Å; L496-F503 HydrophobicContact CD2-CE2 3.43Å; L496-F503 VanDerWaalsContact CD2-CE2 3.43Å; L496-F503 HydrophobicContact CD2-CG 4.33Å; L496-F503 HydrophobicContact CD2-CZ 4.39Å; L496-F503 HydrophobicContact CG-CD2 3.95Å; L496-F503 HydrophobicContact CG-CE2 3.45Å; L496-F503 VanDerWaalsContact CG-CE2 3.45Å; L496-F503 HydrophobicContact CG-CZ 4.04Å; F503-Q505 PolarHBondContact O-N 3.43Å
504	P	67	Low	73.1	Confident	42 Å²	42	57.6 Å²	57.6	27%	0.273	35%	0.352	S	S	.	.			trans	-61.9	113.2	-176.5	24.1	-35.4	0	0	0	111.5	A477 Y502 L506	A477-P504 WeakPolarHBondContact O-CG 3.04Å; Y502-P504 HydrophobicContact CE1-CB 4.4Å; P504-L506 PolarHBondContact O-N 3.43Å; P504-L506 VanDerWaalsContact O-N 3.17Å
505	Q	55.7	Low	73.4	Confident	193 Å²	193	57.9 Å²	57.9	90%	0.902	35%	0.35	S	S	*	.			trans	-66	115.5	173.2	-69.1	-173.7	-3.2	0	0	109.6	F503 A507	F503-Q505 PolarHBondContact O-N 3.43Å; Q505-A507 PolarHBondContact O-N 3.27Å
506	L	51.8	Low	73.5	Confident	65 Å²	65	64.3 Å²	64.3	34%	0.34	38%	0.378	S	S	.	.			trans	-58.3	117	179.6	-90.4	150.6	0	0	0	111.3	P504 H530 P531	P504-L506 PolarHBondContact O-N 3.43Å; P504-L506 VanDerWaalsContact O-N 3.17Å; L506-H530 HydrophobicContact CD2-CB 3.62Å; L506-P531 VanDerWaalsContact CD2-O 3.28Å; L506-P531 WeakPolarHBondContact CD2-O 3.44Å
507	A	44.2	Very low	73.6	Confident	85 Å²	85	65.6 Å²	65.6	70%	0.702	39%	0.389	S	S	*	.			trans	-61.9	138.6	169.1	0	0	0	0	0	110.5	Q505 G509	Q505-A507 PolarHBondContact O-N 3.27Å; A507-G509 PolarHBondContact O-N 3.37Å
508	S	43.6	Very low	73.6	Confident	125 Å²	125	67.2 Å²	67.2	87%	0.874	40%	0.399	S	S	*	.			trans	-73.6	67.7	-175.9	47.2	0	0	0	0	113.4
509	G	53.2	Low	73.5	Confident	50 Å²	50	65.8 Å²	65.8	52%	0.515	39%	0.394	S	S	.	.			trans	-69.8	-178.4	158.1	0	0	0	0	0	111.8	A507	A507-G509 PolarHBondContact O-N 3.37Å
510	S	60	Low	73.2	Confident	85 Å²	85	68.4 Å²	68.4	59%	0.594	41%	0.41	S	S	*	.			trans	-129.5	146.7	160.1	49.3	0	0	0	0	108.8	N512 H530	S510-N512 PolarHBondContact O-N 2.81Å; S510-H530 PolarHBondContact N-CE1 2.94Å; S510-H530 VanDerWaalsContact N-CE1 3.35Å
511	L	74.1	Confident	73.2	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	40%	0.402	C	S	.	.			trans	-50.6	131.4	172.8	172.3	56.7	0	0	0	110	V513 W527 V579 I581 D589 K591	L511-V513 HydrophobicContact CD1-CG2 4.27Å; L511-V513 HydrophobicContact CD2-CG2 4.3Å; L511-V513 HydrophobicContact CG-CG2 4.05Å; L511-W527 HydrophobicContact CD1-CB 4.14Å; L511-V579 HydrophobicContact CD2-CB 4.37Å; L511-V579 HydrophobicContact CD2-CG1 4.4Å; L511-V579 WeakPolarHBondContact CD2-O 3.43Å; L511-I581 HydrophobicContact CD1-CD1 3.67Å; L511-I581 HydrophobicContact CD1-CG1 4.17Å; L511-I581 HydrophobicContact CD2-CG1 4.13Å; L511-D589 HydrophobicContact CB-CB 4.47Å; L511-D589 VanDerWaalsContact CB-CG 3.45Å; L511-D589 WeakPolarHBondContact CB-OD2 3.17Å; L511-D589 PolarHBondContact N-OD2 2.96Å; L511-K591 HydrophobicContact CD2-CB 3.87Å; L511-K591 HydrophobicContact CG-CB 4.06Å; L511-K591 WeakPolarHBondContact O-CD 3.33Å; L511-K591 WeakPolarHBondContact O-CE 3.25Å; L511-K591 PolarHBondContact O-NZ 3.21Å
512	N	78.9	Confident	73.5	Confident	83 Å²	83	67.4 Å²	67.4	44%	0.444	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	100.6	175.1	-159.9	37.3	0	0	0	113.1	S510 W527 K528 K591	S510-N512 PolarHBondContact O-N 2.81Å; N512-W527 CarbonylContact O-C 3.59Å; N512-W527 VanDerWaalsContact O-CA 3.23Å; N512-W527 WeakPolarHBondContact O-CA 3.26Å; N512-K528 PolarHBondContact N-O 2.77Å; N512-K528 PolarHBondContact O-N 3.2Å; N512-K591 PolarHBondContact OD1-NZ 3.04Å
513	V	84.9	Confident	73.9	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.3	173.9	-171.2	0	0	0	0	109.5	L511 V525 S526 W527 V579 K591 I593	L511-V513 HydrophobicContact CD1-CG2 4.27Å; L511-V513 HydrophobicContact CD2-CG2 4.3Å; L511-V513 HydrophobicContact CG-CG2 4.05Å; V513-V525 HydrophobicContact CG1-CG2 3.55Å; V513-S526 CarbonylContact C-O 3.53Å; V513-S526 WeakPolarHBondContact CA-O 3.13Å; V513-W527 HydrophobicContact CG2-CB 4.12Å; V513-V579 HydrophobicContact CB-CG2 4.45Å; V513-V579 HydrophobicContact CG1-CG2 3.8Å; V513-V579 HydrophobicContact CG2-CB 3.67Å; V513-V579 HydrophobicContact CG2-CG2 3.69Å; V513-K591 HydrophobicContact CB-CG 4.43Å; V513-K591 HydrophobicContact CG2-CB 3.87Å; V513-K591 HydrophobicContact CG2-CD 4.28Å; V513-K591 HydrophobicContact CG2-CG 4.09Å; V513-I593 HydrophobicContact CB-CD1 3.89Å; V513-I593 HydrophobicContact CB-CG1 4.42Å; V513-I593 HydrophobicContact CG1-CD1 3.73Å; V513-I593 HydrophobicContact CG1-CG1 4.3Å; V513-I593 WeakPolarHBondContact O-CD1 3.17Å
514	V	86.9	Confident	74.4	Confident	65 Å²	65	62.5 Å²	62.5	39%	0.394	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	128.1	178	-178.2	0	0	0	0	109.2	S526	V514-S526 PolarHBondContact N-O 3.45Å; V514-S526 PolarHBondContact O-N 2.92Å; V514-S526 VanDerWaalsContact O-O 3.11Å; V514-S526 PolarHBondContact O-OG 2.99Å
515	I	87.9	Confident	75.4	Confident	39 Å²	39	60.5 Å²	60.5	20%	0.2	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	128.2	170.5	-52.6	-57.1	0	0	0	109.1	V518 I523 V525 I593 V595	I515-V518 HydrophobicContact CG2-CG2 3.66Å; I515-I523 HydrophobicContact CD1-CG2 3.92Å; I515-I523 HydrophobicContact CG2-CG2 4.04Å; I515-V525 HydrophobicContact CD1-CB 4.03Å; I515-V525 HydrophobicContact CD1-CG2 4Å; I515-I593 HydrophobicContact CD1-CG2 4.49Å; I515-I593 HydrophobicContact CG1-CD1 4.45Å; I515-I593 HydrophobicContact CG1-CG2 4.01Å; I515-V595 HydrophobicContact CD1-CG1 4.47Å; I515-V595 HydrophobicContact CG1-CB 4.45Å; I515-V595 HydrophobicContact CG1-CG2 4.48Å; I515-V595 HydrophobicContact CG2-CG2 4.47Å
516	K	86.8	Confident	76.9	Confident	137 Å²	137	51.9 Å²	51.9	60%	0.596	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	-40.6	-178.7	-70.6	-74.7	-174.3	169.8	0	112.7	L524 S526 L563	K516-L524 HydrophobicContact CB-CB 4.39Å; K516-L524 HydrophobicContact CB-CD2 3.88Å; K516-L524 HydrophobicContact CB-CG 4.1Å; K516-L524 PolarHBondContact N-O 3.2Å; K516-S526 WeakPolarHBondContact CE-OG 3.42Å; K516-S526 WeakPolarHBondContact CG-OG 3.32Å; K516-L563 HydrophobicContact CB-CD1 4.35Å; K516-L563 HydrophobicContact CG-CD1 3.79Å
517	S	85	Confident	78.5	Confident	48 Å²	48	49.3 Å²	49.3	34%	0.336	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	159.4	176.8	64.9	0	0	0	0	111.3	L524	S517-L524 PolarHBondContact O-N 3.08Å; S517-L524 VanDerWaalsContact OG-CB 3.24Å; S517-L524 WeakPolarHBondContact OG-CB 3.32Å; S517-L524 WeakPolarHBondContact OG-CD2 3.21Å
518	V	87.9	Confident	80.1	Confident	35 Å²	35	52.2 Å²	52.2	21%	0.212	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.8	-179.7	-175.3	0	0	0	0	108.8	I515 I523 V595 T596 K598	I515-V518 HydrophobicContact CG2-CG2 3.66Å; V518-I523 HydrophobicContact CG1-CG1 4.45Å; V518-V595 HydrophobicContact CG2-CG2 3.67Å; V518-T596 WeakPolarHBondContact CG1-O 3.4Å; V518-K598 WeakPolarHBondContact O-CE 3.41Å
519	G	86.2	Confident	81.2	Confident	8 Å²	8	47.3 Å²	47.3	8%	0.082	27%	0.271	C	S	.	.			trans	-99.2	-166.2	173.4	0	0	0	0	0	112.5	F522 K598	G519-F522 PolarHBondContact N-O 2.8Å; G519-K598 PolarHBondContact O-N 2.95Å
520	T	82.9	Confident	81.8	Confident	54 Å²	54	47.2 Å²	47.2	33%	0.331	26%	0.257	S	S	.	.	S	Bend	trans	-78	-32.8	170.8	48.9	0	0	0	0	112.1	P571 K598 G599	T520-P571 WeakPolarHBondContact O-CA 3.07Å; T520-K598 WeakPolarHBondContact CA-O 3.4Å; T520-K598 HydrophobicContact CG2-CB 4.02Å; T520-G599 WeakPolarHBondContact CG2-O 3.35Å
521	N	85.2	Confident	81.4	Confident	83 Å²	83	48.1 Å²	48.1	44%	0.444	26%	0.261	S	S	.	.	S	Bend	trans	-127.6	12.1	-176.4	65.2	-18	0	0	0	113.6	S567 H568 L569	N521-S567 CarbonylContact O-C 3.32Å; N521-H568 PolarHBondContact O-N 2.96Å; N521-L569 WeakPolarHBondContact CA-O 3.33Å; N521-L569 PolarHBondContact O-N 2.99Å
522	F	85.6	Confident	80.3	Confident	67 Å²	67	49 Å²	49	29%	0.294	27%	0.271	S	S	.	.			trans	-146.5	155.2	179.4	76.1	-97.2	0	0	0	114.6	G519 N565 L566	G519-F522 PolarHBondContact N-O 2.8Å; F522-N565 VanDerWaalsContact CD2-OD1 3.28Å; F522-N565 WeakPolarHBondContact CD2-OD1 3.49Å; F522-L566 CarbonylContact C-O 3.53Å; F522-L566 WeakPolarHBondContact CA-O 3.39Å; F522-L566 WeakPolarHBondContact CB-O 3.43Å
523	I	86.6	Confident	79.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.1	170	-63	158.1	0	0	0	108.4	I515 V518 N565 L566 L569 Y575 V577 V595 T597	I515-I523 HydrophobicContact CD1-CG2 3.92Å; I515-I523 HydrophobicContact CG2-CG2 4.04Å; V518-I523 HydrophobicContact CG1-CG1 4.45Å; I523-N565 PolarHBondContact O-OD1 3.07Å; I523-L566 HydrophobicContact CB-CB 4.25Å; I523-L566 HydrophobicContact CB-CD1 4.26Å; I523-L566 HydrophobicContact CD1-CD1 4.49Å; I523-L566 HydrophobicContact CG2-CD1 4.47Å; I523-L566 PolarHBondContact N-O 2.88Å; I523-L566 WeakPolarHBondContact O-CB 3.45Å; I523-L566 PolarHBondContact O-N 2.86Å; I523-L569 HydrophobicContact CB-CD1 4.02Å; I523-L569 HydrophobicContact CD1-CD1 3.38Å; I523-L569 HydrophobicContact CG1-CD1 3.5Å; I523-L569 VanDerWaalsContact CG1-CD1 3.5Å; I523-Y575 HydrophobicContact CD1-CD2 4.2Å; I523-Y575 HydrophobicContact CD1-CG 4.35Å; I523-V577 HydrophobicContact CD1-CG2 4.21Å; I523-V595 HydrophobicContact CD1-CG1 3.49Å; I523-V595 VanDerWaalsContact CD1-CG1 3.49Å; I523-V595 HydrophobicContact CG1-CG1 4.03Å; I523-V595 HydrophobicContact CG2-CG1 4.04Å; I523-T597 HydrophobicContact CD1-CG2 4.41Å; I523-T597 HydrophobicContact CG1-CG2 4.28Å
524	L	87.4	Confident	78.4	Confident	41 Å²	41	48 Å²	48	22%	0.215	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104	173.5	-169.6	69.3	0	0	0	109.3	K516 S517 L563 N565	K516-L524 HydrophobicContact CB-CB 4.39Å; K516-L524 HydrophobicContact CB-CD2 3.88Å; K516-L524 HydrophobicContact CB-CG 4.1Å; K516-L524 PolarHBondContact N-O 3.2Å; S517-L524 PolarHBondContact O-N 3.08Å; S517-L524 VanDerWaalsContact OG-CB 3.24Å; S517-L524 WeakPolarHBondContact OG-CB 3.32Å; S517-L524 WeakPolarHBondContact OG-CD2 3.21Å; L524-L563 HydrophobicContact CD1-CD1 4.03Å; L524-L563 HydrophobicContact CD1-CG 4.03Å; L524-L563 HydrophobicContact CD2-CD1 4.04Å; L524-L563 HydrophobicContact CG-CD1 3.76Å; L524-L563 HydrophobicContact CG-CG 4.31Å; L524-N565 HydrophobicContact CD1-CB 3.81Å
525	V	89.3	Confident	77.3	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	141.1	177.9	59.4	0	0	0	0	110.3	V513 I515 W527 I538 L563 Y564 L566 V577 V579	V513-V525 HydrophobicContact CG1-CG2 3.55Å; I515-V525 HydrophobicContact CD1-CB 4.03Å; I515-V525 HydrophobicContact CD1-CG2 4Å; V525-W527 HydrophobicContact CG1-CZ3 4.38Å; V525-I538 HydrophobicContact CG1-CD1 4.12Å; V525-L563 CarbonylContact O-C 3.14Å; V525-L563 WeakPolarHBondContact O-CA 3.24Å; V525-Y564 WeakPolarHBondContact CG1-O 3.42Å; V525-Y564 PolarHBondContact N-O 3.39Å; V525-Y564 PolarHBondContact O-N 3.25Å; V525-L566 HydrophobicContact CG1-CG 4.41Å; V525-V577 HydrophobicContact CB-CG1 4.5Å; V525-V577 HydrophobicContact CG1-CG1 4.48Å; V525-V577 HydrophobicContact CG2-CG1 4.32Å; V525-V579 HydrophobicContact CG2-CG2 4.26Å
526	S	86.3	Confident	76.6	Confident	12 Å²	12	44.3 Å²	44.3	8%	0.084	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.9	170.6	64.6	0	0	0	0	110.5	V513 V514 K516 Q562	V513-S526 CarbonylContact C-O 3.53Å; V513-S526 WeakPolarHBondContact CA-O 3.13Å; V514-S526 PolarHBondContact N-O 3.45Å; V514-S526 PolarHBondContact O-N 2.92Å; V514-S526 VanDerWaalsContact O-O 3.11Å; V514-S526 PolarHBondContact O-OG 2.99Å; K516-S526 WeakPolarHBondContact CE-OG 3.42Å; K516-S526 WeakPolarHBondContact CG-OG 3.32Å; S526-Q562 CarbonylContact C-O 3.55Å; S526-Q562 WeakPolarHBondContact CA-O 3.34Å; S526-Q562 VanDerWaalsContact CB-O 3.23Å; S526-Q562 WeakPolarHBondContact CB-O 3.34Å
527	W	86.3	Confident	76.2	Confident	11 Å²	11	38.8 Å²	38.8	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153.4	175.5	61.4	94.9	0	0	0	111.5	L511 N512 V513 V525 P536 I538 V557 I561 Q562 V579	L511-W527 HydrophobicContact CD1-CB 4.14Å; N512-W527 CarbonylContact O-C 3.59Å; N512-W527 VanDerWaalsContact O-CA 3.23Å; N512-W527 WeakPolarHBondContact O-CA 3.26Å; V513-W527 HydrophobicContact CG2-CB 4.12Å; V525-W527 HydrophobicContact CG1-CZ3 4.38Å; W527-P536 HydrophobicContact CZ2-CB 4.16Å; W527-P536 HydrophobicContact CZ2-CG 3.57Å; W527-I538 HydrophobicContact CE3-CD1 4.27Å; W527-I538 HydrophobicContact CH2-CD1 3.68Å; W527-I538 HydrophobicContact CZ3-CD1 3.53Å; W527-V557 HydrophobicContact CH2-CB 4.45Å; W527-V557 HydrophobicContact CH2-CG1 4.17Å; W527-V557 HydrophobicContact CZ2-CB 4.45Å; W527-V557 HydrophobicContact CZ2-CG1 4.35Å; W527-I561 HydrophobicContact CH2-CG2 4.1Å; W527-I561 HydrophobicContact CZ2-CG2 4.44Å; W527-I561 WeakPolarHBondContact CZ2-O 3.28Å; W527-Q562 PolarHBondContact N-O 3.48Å; W527-Q562 VanDerWaalsContact N-O 3.08Å; W527-Q562 WeakPolarHBondContact O-CB 3.45Å; W527-V579 HydrophobicContact CB-CG1 4.43Å; W527-V579 HydrophobicContact CD2-CG1 4.23Å; W527-V579 HydrophobicContact CE3-CG2 4.36Å; W527-V579 HydrophobicContact CG-CG1 4.04Å
528	K	76.3	Confident	76.2	Confident	146 Å²	146	36.5 Å²	36.5	64%	0.635	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.5	169.1	-166	169.9	-175.3	176.8	0	108.3	N512	N512-K528 PolarHBondContact N-O 2.77Å; N512-K528 PolarHBondContact O-N 3.2Å
529	G	66.7	Low	76	Confident	23 Å²	23	38.6 Å²	38.6	24%	0.237	22%	0.218	C	C	.	.			trans	-86.2	-154.6	172.9	0	0	0	0	0	111.9
530	H	65.9	Low	76	Confident	48 Å²	48	39.2 Å²	39.2	22%	0.222	22%	0.217	C	C	.	.			trans	-107.2	155.4	178.5	-55.1	-37.1	0	0	0	110.8	L506 S510 G532 S533	L506-H530 HydrophobicContact CD2-CB 3.62Å; S510-H530 PolarHBondContact N-CE1 2.94Å; S510-H530 VanDerWaalsContact N-CE1 3.35Å; H530-G532 PolarHBondContact O-N 2.82Å; H530-S533 PolarHBondContact N-OG 3.11Å; H530-S533 VanDerWaalsContact O-CB 3.3Å; H530-S533 WeakPolarHBondContact O-CB 3.49Å; H530-S533 PolarHBondContact O-N 2.99Å; H530-S533 PolarHBondContact O-OG 3.14Å; H530-S533 VanDerWaalsContact O-OG 3.07Å
531	P	52	Low	76.1	Confident	104 Å²	104	39.3 Å²	39.3	68%	0.675	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	132	169.4	-21.1	33.4	0	0	0	109.6	L506 S533	L506-P531 VanDerWaalsContact CD2-O 3.28Å; L506-P531 WeakPolarHBondContact CD2-O 3.44Å; P531-S533 VanDerWaalsContact C-N 3.35Å
532	G	51.8	Low	75.9	Confident	20 Å²	20	36.1 Å²	36.1	21%	0.206	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	14	-173.4	0	0	0	0	0	116.4	P445 H530	P445-G532 PolarHBondContact O-N 3.37Å; H530-G532 PolarHBondContact O-N 2.82Å
533	S	58.7	Low	75.2	Confident	24 Å²	24	36.3 Å²	36.3	17%	0.168	20%	0.199	C	C	.	.			trans	-61.2	139.9	167.1	-77.2	0	0	0	0	112.1	H530 P531	H530-S533 PolarHBondContact N-OG 3.11Å; H530-S533 VanDerWaalsContact O-CB 3.3Å; H530-S533 WeakPolarHBondContact O-CB 3.49Å; H530-S533 PolarHBondContact O-N 2.99Å; H530-S533 PolarHBondContact O-OG 3.14Å; H530-S533 VanDerWaalsContact O-OG 3.07Å; P531-S533 VanDerWaalsContact C-N 3.35Å
534	L	64.6	Low	74	Confident	42 Å²	42	40.1 Å²	40.1	22%	0.22	23%	0.226	C	C	.	.			trans	-69.5	166.6	172.1	-63.1	172.4	0	0	0	111.6	V479 P536 R582 I584	V479-L534 HydrophobicContact CG1-CD2 4.05Å; L534-P536 WeakPolarHBondContact O-CD 3.49Å; L534-P536 VanDerWaalsContact O-N 3.16Å; L534-R582 HydrophobicContact CB-CB 4.48Å; L534-R582 WeakPolarHBondContact CB-O 3.43Å; L534-R582 HydrophobicContact CD1-CB 3.93Å; L534-I584 HydrophobicContact CD1-CG1 4.22Å; L534-I584 HydrophobicContact CD2-CD1 4.47Å; L534-I584 HydrophobicContact CD2-CG1 4.45Å; L534-I584 HydrophobicContact CG-CG1 4.35Å
535	A	64.6	Low	72.3	Confident	25 Å²	25	44.8 Å²	44.8	21%	0.207	25%	0.251	C	S	.	.			trans	-50.9	115.3	-179.4	0	0	0	0	0	112.4	L492 S537	L492-A535 HydrophobicContact CD2-CB 4.02Å; A535-S537 PolarHBondContact O-N 3.14Å
536	P	73.2	Confident	70.3	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.013	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-62	133.8	-178	21.5	-34	0	0	0	112.9	W527 L534 V557 V579 I581	W527-P536 HydrophobicContact CZ2-CB 4.16Å; W527-P536 HydrophobicContact CZ2-CG 3.57Å; L534-P536 WeakPolarHBondContact O-CD 3.49Å; L534-P536 VanDerWaalsContact O-N 3.16Å; P536-V557 WeakPolarHBondContact CD-O 3.3Å; P536-V557 HydrophobicContact CG-CB 4.3Å; P536-V557 WeakPolarHBondContact CG-O 3.32Å; P536-V557 PolarHBondContact O-N 2.82Å; P536-V579 HydrophobicContact CB-CG1 4.13Å; P536-I581 HydrophobicContact CB-CD1 4.23Å; P536-I581 HydrophobicContact CB-CG1 4.02Å
537	S	78.8	Confident	68.3	Low	22 Å²	22	59 Å²	59	15%	0.154	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.6	168.7	-175.9	0	0	0	0	109.8	A535 K539 T555 D580	A535-S537 PolarHBondContact O-N 3.14Å; S537-K539 WeakPolarHBondContact OG-CE 3.29Å; S537-T555 CarbonylContact C-O 3.6Å; S537-T555 WeakPolarHBondContact CA-O 3.12Å; S537-D580 PolarHBondContact N-O 2.85Å; S537-D580 WeakPolarHBondContact O-CB 3.33Å; S537-D580 PolarHBondContact O-N 3.38Å
538	I	84.1	Confident	66.3	Low	0 Å²	0	66 Å²	66	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.3	173.3	-47.5	179.3	0	0	0	108.2	V525 W527 W540 S554 T555 V557 Y564 L566 V577 C578 V579	V525-I538 HydrophobicContact CG1-CD1 4.12Å; W527-I538 HydrophobicContact CE3-CD1 4.27Å; W527-I538 HydrophobicContact CH2-CD1 3.68Å; W527-I538 HydrophobicContact CZ3-CD1 3.53Å; I538-W540 HydrophobicContact CG2-CE3 4.35Å; I538-S554 CarbonylContact O-C 3.5Å; I538-S554 VanDerWaalsContact O-CA 3.27Å; I538-S554 WeakPolarHBondContact O-CA 3.35Å; I538-T555 HydrophobicContact CB-CG2 4.06Å; I538-T555 PolarHBondContact N-O 2.83Å; I538-T555 PolarHBondContact O-N 3.01Å; I538-V557 HydrophobicContact CD1-CG2 3.75Å; I538-V557 HydrophobicContact CG1-CG2 3.98Å; I538-Y564 HydrophobicContact CD1-CD1 4Å; I538-Y564 HydrophobicContact CD1-CD2 4.47Å; I538-Y564 HydrophobicContact CD1-CG 3.79Å; I538-L566 HydrophobicContact CG2-CD2 4.25Å; I538-V577 HydrophobicContact CG2-CG1 3.95Å; I538-C578 WeakPolarHBondContact CA-O 3.46Å; I538-V579 HydrophobicContact CG1-CG2 4.38Å
539	K	84.4	Confident	64.8	Low	78 Å²	78	64.9 Å²	64.9	34%	0.339	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131	179.7	-65.9	163.6	-178.4	166	0	108.8	S537 F553 C578 D580	S537-K539 WeakPolarHBondContact OG-CE 3.29Å; K539-F553 CarbonylContact C-O 3.48Å; K539-F553 VanDerWaalsContact CA-O 3.3Å; K539-F553 WeakPolarHBondContact CA-O 3.31Å; K539-C578 PolarHBondContact N-O 2.84Å; K539-C578 PolarHBondContact O-N 2.94Å; K539-D580 IonicContact NZ-OD2 2.77Å; K539-D580 PolarHBondContact NZ-OD2 2.99Å
540	W	86.8	Confident	64.1	Low	21 Å²	21	67.6 Å²	67.6	8%	0.08	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.2	176.4	67.3	103.7	0	0	0	112.8	I538 F553 T555 L566 K576 V577	I538-W540 HydrophobicContact CG2-CE3 4.35Å; W540-F553 HydrophobicContact CD2-CB 3.72Å; W540-F553 HydrophobicContact CE3-CB 4.14Å; W540-F553 HydrophobicContact CG-CB 4.27Å; W540-F553 HydrophobicContact CH2-CB 3.99Å; W540-F553 HydrophobicContact CZ2-CB 3.55Å; W540-F553 HydrophobicContact CZ2-CG 4.26Å; W540-F553 HydrophobicContact CZ3-CB 4.25Å; W540-F553 PolarHBondContact N-O 2.87Å; W540-F553 AromaticContact NE1-CD2 3.84Å; W540-F553 AromaticContact NE1-CG 3.94Å; W540-F553 PolarHBondContact O-N 2.9Å; W540-T555 HydrophobicContact CH2-CG2 4.37Å; W540-T555 HydrophobicContact CZ3-CG2 3.89Å; W540-L566 HydrophobicContact CB-CD1 4.25Å; W540-L566 HydrophobicContact CD2-CD1 4.2Å; W540-L566 HydrophobicContact CD2-CD2 3.74Å; W540-L566 HydrophobicContact CE3-CD2 3.54Å; W540-L566 HydrophobicContact CG-CD1 4.08Å; W540-L566 HydrophobicContact CG-CD2 4.48Å; W540-L566 HydrophobicContact CH2-CD2 3.89Å; W540-L566 HydrophobicContact CZ2-CD2 4.06Å; W540-L566 HydrophobicContact CZ3-CD2 3.64Å; W540-K576 WeakPolarHBondContact CA-O 3.5Å; W540-V577 HydrophobicContact CB-CG2 4.07Å
541	Y	84.1	Confident	63.5	Low	56 Å²	56	69.2 Å²	69.2	22%	0.22	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.9	-179.3	45.5	-84.1	0	0	0	111.2	T551 Y575 K576	Y541-T551 WeakPolarHBondContact CA-O 3.4Å; Y541-Y575 WeakPolarHBondContact O-CA 3.42Å; Y541-K576 HydrophobicContact CD2-CB 4.14Å; Y541-K576 HydrophobicContact CE1-CB 4.47Å; Y541-K576 HydrophobicContact CE1-CG 4.4Å; Y541-K576 HydrophobicContact CE2-CB 3.79Å; Y541-K576 HydrophobicContact CE2-CD 3.79Å; Y541-K576 HydrophobicContact CE2-CG 4.08Å; Y541-K576 PolarHBondContact N-O 3.1Å; Y541-K576 PolarHBondContact O-N 2.82Å; Y541-K576 VanDerWaalsContact OH-CD 3.27Å; Y541-K576 WeakPolarHBondContact OH-CD 3.36Å; Y541-K576 WeakPolarHBondContact OH-CE 3.37Å; Y541-K576 PolarHBondContact OH-NZ 3.27Å
542	T	80.6	Confident	63.9	Low	17 Å²	17	67.8 Å²	67.8	10%	0.104	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.7	173.5	48.4	0	0	0	0	110.7	S544 T573 Y575	T542-S544 VanDerWaalsContact C-N 3.34Å; T542-S544 PolarHBondContact O-N 2.85Å; T542-S544 VanDerWaalsContact O-N 3.13Å; T542-T573 HydrophobicContact CG2-CG2 3.96Å; T542-Y575 HydrophobicContact CG2-CD1 4.03Å; T542-Y575 HydrophobicContact CG2-CE1 3.46Å; T542-Y575 VanDerWaalsContact CG2-CE1 3.46Å
543	L	71.4	Confident	64.9	Low	70 Å²	70	70.4 Å²	70.4	37%	0.366	40%	0.395	S	S	.	.			trans	-81.5	84.5	167.5	-79	161.3	0	0	0	108.4	Q574 K576 N594	L543-Q574 HydrophobicContact CB-CB 4.23Å; L543-Q574 HydrophobicContact CB-CG 4.23Å; L543-Q574 HydrophobicContact CD1-CG 3.85Å; L543-Q574 PolarHBondContact N-O 3.12Å; L543-K576 HydrophobicContact CD1-CB 3.97Å; L543-K576 HydrophobicContact CG-CB 4.22Å; L543-N594 HydrophobicContact CD1-CB 4.36Å
544	S	61.6	Low	65.7	Low	81 Å²	81	73.3 Å²	73.3	57%	0.566	42%	0.415	S	S	*	.			trans	-113.9	150.9	174.2	-57.9	0	0	0	0	110.1	T542	T542-S544 VanDerWaalsContact C-N 3.34Å; T542-S544 PolarHBondContact O-N 2.85Å; T542-S544 VanDerWaalsContact O-N 3.13Å
545	D	51.1	Low	65.9	Low	138 Å²	138	72.9 Å²	72.9	74%	0.738	41%	0.414	S	S	*	.			trans	-70.6	159.2	-164.5	-147.3	-16.9	0	0	0	114	N547	D545-N547 PolarHBondContact O-N 2.85Å
546	L	48	Very low	66.1	Low	161 Å²	161	80.2 Å²	80.2	84%	0.843	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.2	-0	-156.4	-89.7	147.3	0	0	0	121.9
547	N	43.7	Very low	66	Low	150 Å²	150	80.2 Å²	80.2	80%	0.802	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	2.7	-167.4	-80.9	-39	0	0	0	116.8	D545	D545-N547 PolarHBondContact O-N 2.85Å
548	H	44.2	Very low	65.1	Low	157 Å²	157	79.8 Å²	79.8	73%	0.727	43%	0.433	S	S	*	.	S	Bend	trans	-130.4	146.2	179.1	-70.9	76.4	0	0	0	111.8	T550	H548-T550 PolarHBondContact O-N 2.04Å
549	P	44.2	Very low	64	Low	124 Å²	124	81 Å²	81	81%	0.805	44%	0.441	S	S	*	.			trans	-65.7	125.3	-177.9	27.3	-34.6	0	0	0	111	T551	P549-T551 PolarHBondContact O-N 2.03Å
550	T	53.4	Low	62.6	Low	80 Å²	80	79.3 Å²	79.3	49%	0.491	44%	0.436	S	S	.	.			trans	-64.1	116.1	174.4	51.1	0	0	0	0	110.5	H548 A552	H548-T550 PolarHBondContact O-N 2.04Å; T550-A552 PolarHBondContact O-N 2.84Å
551	T	53.3	Low	61.5	Low	82 Å²	82	79.6 Å²	79.6	50%	0.503	44%	0.439	S	S	.	.			trans	-65.6	102.2	167.7	31.5	0	0	0	0	109.2	Y541 P549	Y541-T551 WeakPolarHBondContact CA-O 3.4Å; P549-T551 PolarHBondContact O-N 2.03Å
552	A	60.6	Low	61	Low	74 Å²	74	82 Å²	82	61%	0.612	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	105.6	177	0	0	0	0	0	109.5	T550	T550-A552 PolarHBondContact O-N 2.84Å
553	F	72.3	Confident	61	Low	75 Å²	75	84.4 Å²	84.4	33%	0.329	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	145.2	171.6	-59.1	-85.9	0	0	0	109.2	K539 W540 V683	K539-F553 CarbonylContact C-O 3.48Å; K539-F553 VanDerWaalsContact CA-O 3.3Å; K539-F553 WeakPolarHBondContact CA-O 3.31Å; W540-F553 HydrophobicContact CD2-CB 3.72Å; W540-F553 HydrophobicContact CE3-CB 4.14Å; W540-F553 HydrophobicContact CG-CB 4.27Å; W540-F553 HydrophobicContact CH2-CB 3.99Å; W540-F553 HydrophobicContact CZ2-CB 3.55Å; W540-F553 HydrophobicContact CZ2-CG 4.26Å; W540-F553 HydrophobicContact CZ3-CB 4.25Å; W540-F553 PolarHBondContact N-O 2.87Å; W540-F553 AromaticContact NE1-CD2 3.84Å; W540-F553 AromaticContact NE1-CG 3.94Å; W540-F553 PolarHBondContact O-N 2.9Å; F553-V683 HydrophobicContact CE1-CG2 4.16Å
554	S	75.2	Confident	61.4	Low	85 Å²	85	81.9 Å²	81.9	59%	0.594	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	146.6	176.1	70.2	0	0	0	0	112.4	I538	I538-S554 CarbonylContact O-C 3.5Å; I538-S554 VanDerWaalsContact O-CA 3.27Å; I538-S554 WeakPolarHBondContact O-CA 3.35Å
555	T	69.1	Low	62.5	Low	32 Å²	32	79.5 Å²	79.5	20%	0.196	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.6	173.9	-170.6	0	0	0	0	109.5	S537 I538 W540 V557 Y564	S537-T555 CarbonylContact C-O 3.6Å; S537-T555 WeakPolarHBondContact CA-O 3.12Å; I538-T555 HydrophobicContact CB-CG2 4.06Å; I538-T555 PolarHBondContact N-O 2.83Å; I538-T555 PolarHBondContact O-N 3.01Å; W540-T555 HydrophobicContact CH2-CG2 4.37Å; W540-T555 HydrophobicContact CZ3-CG2 3.89Å; T555-V557 HydrophobicContact CG2-CG2 3.85Å; T555-Y564 HydrophobicContact CG2-CE1 3.95Å; T555-Y564 HydrophobicContact CG2-CE2 4.31Å
556	R	67.8	Low	64.1	Low	180 Å²	180	73 Å²	73	68%	0.679	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.4	163.6	-66	-175.5	-172.2	173	5.3	107.3
557	V	70.6	Confident	65.7	Low	1 Å²	1	66.9 Å²	66.9	1%	0.006	37%	0.366	C	S	.	.			trans	-122.9	139.7	-179.8	-167.9	0	0	0	0	108.6	W527 P536 I538 T555 I561 Y564	W527-V557 HydrophobicContact CH2-CB 4.45Å; W527-V557 HydrophobicContact CH2-CG1 4.17Å; W527-V557 HydrophobicContact CZ2-CB 4.45Å; W527-V557 HydrophobicContact CZ2-CG1 4.35Å; P536-V557 WeakPolarHBondContact CD-O 3.3Å; P536-V557 HydrophobicContact CG-CB 4.3Å; P536-V557 WeakPolarHBondContact CG-O 3.32Å; P536-V557 PolarHBondContact O-N 2.82Å; I538-V557 HydrophobicContact CD1-CG2 3.75Å; I538-V557 HydrophobicContact CG1-CG2 3.98Å; T555-V557 HydrophobicContact CG2-CG2 3.85Å; V557-I561 HydrophobicContact CG1-CB 3.75Å; V557-I561 HydrophobicContact CG1-CD1 3.92Å; V557-I561 HydrophobicContact CG1-CG1 4.41Å; V557-I561 HydrophobicContact CG1-CG2 3.64Å; V557-Y564 HydrophobicContact CB-CD2 4.4Å; V557-Y564 HydrophobicContact CG1-CD2 3.8Å; V557-Y564 HydrophobicContact CG1-CE2 4.27Å; V557-Y564 HydrophobicContact CG2-CD2 3.6Å; V557-Y564 HydrophobicContact CG2-CE2 3.72Å; V557-Y564 HydrophobicContact CG2-CG 4.23Å
558	P	61.4	Low	67.3	Low	13 Å²	13	66.6 Å²	66.6	8%	0.084	36%	0.36	C	S	.	.			trans	-47.8	146	168.9	-31.3	34.8	0	0	0	115	V483 L492 D560 I561	V483-P558 HydrophobicContact CG1-CG 4.27Å; V483-P558 HydrophobicContact CG2-CB 4.49Å; L492-P558 HydrophobicContact CD1-CG 4.27Å; L492-P558 HydrophobicContact CD2-CB 3.98Å; L492-P558 HydrophobicContact CD2-CG 4.04Å; P558-D560 VanDerWaalsContact C-N 3.34Å; P558-D560 WeakPolarHBondContact CB-OD1 3.29Å; P558-D560 PolarHBondContact O-N 3.13Å; P558-I561 HydrophobicContact CB-CD1 4.14Å; P558-I561 HydrophobicContact CB-CG1 4.23Å; P558-I561 HydrophobicContact CG-CD1 4.11Å; P558-I561 WeakPolarHBondContact O-CB 3.3Å; P558-I561 PolarHBondContact O-N 3.41Å
559	S	60.3	Low	69.1	Low	25 Å²	25	59.6 Å²	59.6	18%	0.175	33%	0.328	C	S	.	.	S	Bend	trans	-77.3	-15.7	-173.7	47	0	0	0	0	114.4
560	D	54.8	Low	70.8	Confident	43 Å²	43	59.5 Å²	59.5	23%	0.23	32%	0.316	C	S	.	.	S	Bend	trans	-75.2	-28.9	168.2	60.2	-28.9	0	0	0	112.1	I443 P558 Q562	I443-D560 HydrophobicContact CD1-CB 3.89Å; I443-D560 WeakPolarHBondContact CD1-OD1 3.08Å; I443-D560 HydrophobicContact CG1-CB 4.26Å; I443-D560 HydrophobicContact CG2-CB 4.41Å; P558-D560 VanDerWaalsContact C-N 3.34Å; P558-D560 WeakPolarHBondContact CB-OD1 3.29Å; P558-D560 PolarHBondContact O-N 3.13Å; D560-Q562 PolarHBondContact O-N 3.4Å
561	I	64.8	Low	72.3	Confident	28 Å²	28	58 Å²	58	14%	0.144	31%	0.308	C	S	.	.			trans	-74.7	125.8	174.8	-61.3	177.7	0	0	0	109.8	W527 V557 P558 L563 V687	W527-I561 HydrophobicContact CH2-CG2 4.1Å; W527-I561 HydrophobicContact CZ2-CG2 4.44Å; W527-I561 WeakPolarHBondContact CZ2-O 3.28Å; V557-I561 HydrophobicContact CG1-CB 3.75Å; V557-I561 HydrophobicContact CG1-CD1 3.92Å; V557-I561 HydrophobicContact CG1-CG1 4.41Å; V557-I561 HydrophobicContact CG1-CG2 3.64Å; P558-I561 HydrophobicContact CB-CD1 4.14Å; P558-I561 HydrophobicContact CB-CG1 4.23Å; P558-I561 HydrophobicContact CG-CD1 4.11Å; P558-I561 WeakPolarHBondContact O-CB 3.3Å; P558-I561 PolarHBondContact O-N 3.41Å; I561-L563 WeakPolarHBondContact CG2-O 3.33Å; I561-V687 HydrophobicContact CD1-CG1 3.77Å; I561-V687 HydrophobicContact CD1-CG2 4.3Å
562	Q	72.9	Confident	73.7	Confident	105 Å²	105	57.4 Å²	57.4	49%	0.491	31%	0.312	S	S	.	.			trans	-118.8	11.8	175.7	-68.4	-180	25.2	0	0	112.3	S526 W527 D560	S526-Q562 CarbonylContact C-O 3.55Å; S526-Q562 WeakPolarHBondContact CA-O 3.34Å; S526-Q562 VanDerWaalsContact CB-O 3.23Å; S526-Q562 WeakPolarHBondContact CB-O 3.34Å; W527-Q562 PolarHBondContact N-O 3.48Å; W527-Q562 VanDerWaalsContact N-O 3.08Å; W527-Q562 WeakPolarHBondContact O-CB 3.45Å; D560-Q562 PolarHBondContact O-N 3.4Å
563	L	80.9	Confident	74.8	Confident	69 Å²	69	55.6 Å²	55.6	36%	0.361	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	121.1	-172.8	-174.5	71.5	0	0	0	109.7	K516 L524 V525 I561	K516-L563 HydrophobicContact CB-CD1 4.35Å; K516-L563 HydrophobicContact CG-CD1 3.79Å; L524-L563 HydrophobicContact CD1-CD1 4.03Å; L524-L563 HydrophobicContact CD1-CG 4.03Å; L524-L563 HydrophobicContact CD2-CD1 4.04Å; L524-L563 HydrophobicContact CG-CD1 3.76Å; L524-L563 HydrophobicContact CG-CG 4.31Å; V525-L563 CarbonylContact O-C 3.14Å; V525-L563 WeakPolarHBondContact O-CA 3.24Å; I561-L563 WeakPolarHBondContact CG2-O 3.33Å
564	Y	80.1	Confident	75.5	Confident	16 Å²	16	56 Å²	56	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.1	-177.7	-166.6	-90.7	0	0	0	111.3	V525 I538 T555 V557 L566 A685	V525-Y564 WeakPolarHBondContact CG1-O 3.42Å; V525-Y564 PolarHBondContact N-O 3.39Å; V525-Y564 PolarHBondContact O-N 3.25Å; I538-Y564 HydrophobicContact CD1-CD1 4Å; I538-Y564 HydrophobicContact CD1-CD2 4.47Å; I538-Y564 HydrophobicContact CD1-CG 3.79Å; T555-Y564 HydrophobicContact CG2-CE1 3.95Å; T555-Y564 HydrophobicContact CG2-CE2 4.31Å; V557-Y564 HydrophobicContact CB-CD2 4.4Å; V557-Y564 HydrophobicContact CG1-CD2 3.8Å; V557-Y564 HydrophobicContact CG1-CE2 4.27Å; V557-Y564 HydrophobicContact CG2-CD2 3.6Å; V557-Y564 HydrophobicContact CG2-CE2 3.72Å; V557-Y564 HydrophobicContact CG2-CG 4.23Å; Y564-L566 HydrophobicContact CD1-CD2 3.79Å; Y564-L566 HydrophobicContact CE1-CD2 3.87Å; Y564-A685 WeakPolarHBondContact OH-CB 3.39Å
565	N	84.6	Confident	76	Confident	32 Å²	32	52.2 Å²	52.2	17%	0.171	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.8	179.5	-166.4	29.1	0	0	0	110.6	F522 I523 L524 S567 I688	F522-N565 VanDerWaalsContact CD2-OD1 3.28Å; F522-N565 WeakPolarHBondContact CD2-OD1 3.49Å; I523-N565 PolarHBondContact O-OD1 3.07Å; L524-N565 HydrophobicContact CD1-CB 3.81Å; N565-S567 PolarHBondContact O-N 2.87Å; N565-I688 HydrophobicContact CB-CD1 4.2Å; N565-I688 WeakPolarHBondContact ND2-CD1 3.47Å
566	L	84	Confident	76.9	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	108.6	170.3	-55.6	178.7	0	0	0	108	F522 I523 V525 I538 W540 Y564 L569 V577	F522-L566 CarbonylContact C-O 3.53Å; F522-L566 WeakPolarHBondContact CA-O 3.39Å; F522-L566 WeakPolarHBondContact CB-O 3.43Å; I523-L566 HydrophobicContact CB-CB 4.25Å; I523-L566 HydrophobicContact CB-CD1 4.26Å; I523-L566 HydrophobicContact CD1-CD1 4.49Å; I523-L566 HydrophobicContact CG2-CD1 4.47Å; I523-L566 PolarHBondContact N-O 2.88Å; I523-L566 WeakPolarHBondContact O-CB 3.45Å; I523-L566 PolarHBondContact O-N 2.86Å; V525-L566 HydrophobicContact CG1-CG 4.41Å; I538-L566 HydrophobicContact CG2-CD2 4.25Å; W540-L566 HydrophobicContact CB-CD1 4.25Å; W540-L566 HydrophobicContact CD2-CD1 4.2Å; W540-L566 HydrophobicContact CD2-CD2 3.74Å; W540-L566 HydrophobicContact CE3-CD2 3.54Å; W540-L566 HydrophobicContact CG-CD1 4.08Å; W540-L566 HydrophobicContact CG-CD2 4.48Å; W540-L566 HydrophobicContact CH2-CD2 3.89Å; W540-L566 HydrophobicContact CZ2-CD2 4.06Å; W540-L566 HydrophobicContact CZ3-CD2 3.64Å; Y564-L566 HydrophobicContact CD1-CD2 3.79Å; Y564-L566 HydrophobicContact CE1-CD2 3.87Å; L566-L569 HydrophobicContact CB-CD1 4.12Å; L566-V577 HydrophobicContact CD1-CB 4.36Å; L566-V577 HydrophobicContact CD1-CG1 3.82Å; L566-V577 HydrophobicContact CD1-CG2 3.56Å
567	S	81.1	Confident	77.8	Confident	32 Å²	32	45 Å²	45	22%	0.224	24%	0.239	C	C	.	.			trans	-99.4	179.1	-179.7	57.5	0	0	0	0	112.5	N521 N565 L569	N521-S567 CarbonylContact O-C 3.32Å; N565-S567 PolarHBondContact O-N 2.87Å; S567-L569 PolarHBondContact O-N 3.33Å; S567-L569 VanDerWaalsContact O-N 3.13Å
568	H	76.8	Confident	78.5	Confident	145 Å²	145	45.3 Å²	45.3	67%	0.671	24%	0.242	S	C	*	.	S	Bend	trans	56.7	25.9	176.5	-59.4	-79.1	0	0	0	115.8	N521	N521-H568 PolarHBondContact O-N 2.96Å
569	L	82.3	Confident	79.6	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.047	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-79.9	155	179.3	-53	178.8	0	0	0	112	N521 I523 L566 S567 Y575 T597	N521-L569 WeakPolarHBondContact CA-O 3.33Å; N521-L569 PolarHBondContact O-N 2.99Å; I523-L569 HydrophobicContact CB-CD1 4.02Å; I523-L569 HydrophobicContact CD1-CD1 3.38Å; I523-L569 HydrophobicContact CG1-CD1 3.5Å; I523-L569 VanDerWaalsContact CG1-CD1 3.5Å; L566-L569 HydrophobicContact CB-CD1 4.12Å; S567-L569 PolarHBondContact O-N 3.33Å; S567-L569 VanDerWaalsContact O-N 3.13Å; L569-Y575 HydrophobicContact CB-CE2 3.9Å; L569-Y575 HydrophobicContact CD1-CE2 4.39Å; L569-Y575 HydrophobicContact CD2-CD1 4.5Å; L569-Y575 HydrophobicContact CD2-CE1 3.98Å; L569-Y575 HydrophobicContact CD2-CE2 4.28Å; L569-Y575 HydrophobicContact CG-CE2 4.43Å; L569-T597 HydrophobicContact CB-CG2 3.97Å; L569-T597 HydrophobicContact CD1-CG2 3.99Å
570	H	81.4	Confident	80.5	Confident	122 Å²	122	43.9 Å²	43.9	57%	0.565	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-77.5	140.8	173.3	-64.8	-54	0	0	0	111.2	T573 Y575 T597	H570-T573 HydrophobicContact CB-CG2 4.42Å; H570-T573 WeakPolarHBondContact CB-OG1 3.39Å; H570-T573 WeakPolarHBondContact O-CB 3.49Å; H570-Y575 PolarHBondContact N-OH 2.99Å; H570-T597 WeakPolarHBondContact O-CB 3.35Å; H570-T597 PolarHBondContact O-OG1 3.14Å
571	P	84.3	Confident	81.5	Confident	50 Å²	50	42.2 Å²	42.2	33%	0.325	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	156.2	171.8	-23.3	34.4	0	0	0	113.7	T520 T573 K598 L600	T520-P571 WeakPolarHBondContact O-CA 3.07Å; P571-T573 PolarHBondContact O-N 3.22Å; P571-T573 PolarHBondContact O-OG1 2.91Å; P571-K598 WeakPolarHBondContact CA-O 3.4Å; P571-L600 HydrophobicContact CB-CD1 3.75Å; P571-L600 HydrophobicContact CG-CD1 3.48Å; P571-L600 VanDerWaalsContact CG-CD1 3.48Å
572	A	83.3	Confident	81.4	Confident	69 Å²	69	47.7 Å²	47.7	57%	0.57	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	20.5	179.4	0	0	0	0	0	115.5	T597 K598	A572-T597 WeakPolarHBondContact CA-O 3.46Å; A572-T597 PolarHBondContact N-O 3.3Å; A572-T597 PolarHBondContact N-OG1 3.48Å; A572-T597 VanDerWaalsContact N-OG1 3.15Å; A572-K598 PolarHBondContact N-O 3.15Å
573	T	83.3	Confident	80.6	Confident	35 Å²	35	44.3 Å²	44.3	22%	0.215	23%	0.229	C	C	.	.			trans	-106.6	135	-169.7	-61.9	0	0	0	0	110	T542 H570 P571 Y575 T596 T597	T542-T573 HydrophobicContact CG2-CG2 3.96Å; H570-T573 HydrophobicContact CB-CG2 4.42Å; H570-T573 WeakPolarHBondContact CB-OG1 3.39Å; H570-T573 WeakPolarHBondContact O-CB 3.49Å; P571-T573 PolarHBondContact O-N 3.22Å; P571-T573 PolarHBondContact O-OG1 2.91Å; T573-Y575 HydrophobicContact CG2-CD2 4.22Å; T573-Y575 HydrophobicContact CG2-CE2 3.63Å; T573-Y575 WeakPolarHBondContact O-CD2 3.19Å; T573-T596 WeakPolarHBondContact O-CA 3.26Å; T573-T597 PolarHBondContact N-OG1 3.14Å; T573-T597 PolarHBondContact O-N 3.22Å; T573-T597 PolarHBondContact O-OG1 3.14Å
574	Q	86.6	Confident	79.2	Confident	85 Å²	85	44.3 Å²	44.3	40%	0.397	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.4	179.2	-165.2	179	13.4	0	0	110.5	L543 T596	L543-Q574 HydrophobicContact CB-CB 4.23Å; L543-Q574 HydrophobicContact CB-CG 4.23Å; L543-Q574 HydrophobicContact CD1-CG 3.85Å; L543-Q574 PolarHBondContact N-O 3.12Å; Q574-T596 HydrophobicContact CB-CG2 4.47Å
575	Y	85.2	Confident	77.6	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.02	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.7	176.6	-70	-88.3	0	0	0	110.4	I523 Y541 T542 L569 H570 T573 N594 V595 T597	I523-Y575 HydrophobicContact CD1-CD2 4.2Å; I523-Y575 HydrophobicContact CD1-CG 4.35Å; Y541-Y575 WeakPolarHBondContact O-CA 3.42Å; T542-Y575 HydrophobicContact CG2-CD1 4.03Å; T542-Y575 HydrophobicContact CG2-CE1 3.46Å; T542-Y575 VanDerWaalsContact CG2-CE1 3.46Å; L569-Y575 HydrophobicContact CB-CE2 3.9Å; L569-Y575 HydrophobicContact CD1-CE2 4.39Å; L569-Y575 HydrophobicContact CD2-CD1 4.5Å; L569-Y575 HydrophobicContact CD2-CE1 3.98Å; L569-Y575 HydrophobicContact CD2-CE2 4.28Å; L569-Y575 HydrophobicContact CG-CE2 4.43Å; H570-Y575 PolarHBondContact N-OH 2.99Å; T573-Y575 HydrophobicContact CG2-CD2 4.22Å; T573-Y575 HydrophobicContact CG2-CE2 3.63Å; T573-Y575 WeakPolarHBondContact O-CD2 3.19Å; Y575-N594 CarbonylContact O-C 3.56Å; Y575-N594 WeakPolarHBondContact O-CA 3.47Å; Y575-V595 PolarHBondContact N-O 3.48Å; Y575-V595 PolarHBondContact O-N 2.63Å; Y575-V595 VanDerWaalsContact O-O 3.11Å; Y575-T597 HydrophobicContact CD2-CG2 4.11Å; Y575-T597 HydrophobicContact CE2-CG2 3.98Å
576	K	87.9	Confident	76.1	Confident	60 Å²	60	56.5 Å²	56.5	26%	0.261	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.5	164.5	-178.5	164.9	168.2	-153.2	0	108.4	W540 Y541 L543 C592 N594	W540-K576 WeakPolarHBondContact CA-O 3.5Å; Y541-K576 HydrophobicContact CD2-CB 4.14Å; Y541-K576 HydrophobicContact CE1-CB 4.47Å; Y541-K576 HydrophobicContact CE1-CG 4.4Å; Y541-K576 HydrophobicContact CE2-CB 3.79Å; Y541-K576 HydrophobicContact CE2-CD 3.79Å; Y541-K576 HydrophobicContact CE2-CG 4.08Å; Y541-K576 PolarHBondContact N-O 3.1Å; Y541-K576 PolarHBondContact O-N 2.82Å; Y541-K576 VanDerWaalsContact OH-CD 3.27Å; Y541-K576 WeakPolarHBondContact OH-CD 3.36Å; Y541-K576 WeakPolarHBondContact OH-CE 3.37Å; Y541-K576 PolarHBondContact OH-NZ 3.27Å; L543-K576 HydrophobicContact CD1-CB 3.97Å; L543-K576 HydrophobicContact CG-CB 4.22Å; K576-C592 HydrophobicContact CD-CB 4.44Å; K576-C592 HydrophobicContact CG-CB 4.11Å; K576-N594 WeakPolarHBondContact CD-OD1 3.41Å; K576-N594 VanDerWaalsContact CG-OD1 3.28Å; K576-N594 WeakPolarHBondContact CG-OD1 3.08Å
577	V	87.3	Confident	74.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.3	-179.5	-178.8	0	0	0	0	108.3	I523 V525 I538 W540 L566 C592 I593 V595	I523-V577 HydrophobicContact CD1-CG2 4.21Å; V525-V577 HydrophobicContact CB-CG1 4.5Å; V525-V577 HydrophobicContact CG1-CG1 4.48Å; V525-V577 HydrophobicContact CG2-CG1 4.32Å; I538-V577 HydrophobicContact CG2-CG1 3.95Å; W540-V577 HydrophobicContact CB-CG2 4.07Å; L566-V577 HydrophobicContact CD1-CB 4.36Å; L566-V577 HydrophobicContact CD1-CG1 3.82Å; L566-V577 HydrophobicContact CD1-CG2 3.56Å; V577-C592 CarbonylContact O-C 3.54Å; V577-C592 VanDerWaalsContact O-CA 3.29Å; V577-C592 WeakPolarHBondContact O-CA 3.36Å; V577-I593 PolarHBondContact N-O 2.94Å; V577-I593 PolarHBondContact O-N 3.48Å; V577-V595 HydrophobicContact CG2-CG1 4.27Å
578	C	85.3	Confident	73.9	Confident	8 Å²	8	66.4 Å²	66.4	5%	0.054	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.7	175.5	-59	0	0	0	0	109.7	I538 K539 T590 K591 C592	I538-C578 WeakPolarHBondContact CA-O 3.46Å; K539-C578 PolarHBondContact N-O 2.84Å; K539-C578 PolarHBondContact O-N 2.94Å; C578-T590 HydrophobicContact CB-CG2 4.19Å; C578-K591 WeakPolarHBondContact CA-O 3.44Å; C578-C592 HydrophobicContact CB-CB 4.06Å; C578-C592 WeakPolarHBondContact CB-SG 3.5Å; C578-C592 WeakPolarHBondContact SG-CB 3.41Å; C578-C592 CovalentContact SG-SG 2.04Å; C578-C592 PolarHBondContact SG-SG 3.29Å
579	V	84.8	Confident	73.6	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127	162.6	-174	0	0	0	0	106.9	L511 V513 V525 W527 P536 I538 I581 T590 K591	L511-V579 HydrophobicContact CD2-CB 4.37Å; L511-V579 HydrophobicContact CD2-CG1 4.4Å; L511-V579 WeakPolarHBondContact CD2-O 3.43Å; V513-V579 HydrophobicContact CB-CG2 4.45Å; V513-V579 HydrophobicContact CG1-CG2 3.8Å; V513-V579 HydrophobicContact CG2-CB 3.67Å; V513-V579 HydrophobicContact CG2-CG2 3.69Å; V525-V579 HydrophobicContact CG2-CG2 4.26Å; W527-V579 HydrophobicContact CB-CG1 4.43Å; W527-V579 HydrophobicContact CD2-CG1 4.23Å; W527-V579 HydrophobicContact CE3-CG2 4.36Å; W527-V579 HydrophobicContact CG-CG1 4.04Å; P536-V579 HydrophobicContact CB-CG1 4.13Å; I538-V579 HydrophobicContact CG1-CG2 4.38Å; V579-I581 HydrophobicContact CG1-CG1 4.21Å; V579-T590 WeakPolarHBondContact O-CA 3.33Å; V579-K591 PolarHBondContact N-O 3.06Å; V579-K591 PolarHBondContact O-N 2.78Å
580	D	79.6	Confident	73.5	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.037	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111.7	-177.5	170.8	10.5	0	0	0	107.6	S537 K539 H588 T590	S537-D580 PolarHBondContact N-O 2.85Å; S537-D580 WeakPolarHBondContact O-CB 3.33Å; S537-D580 PolarHBondContact O-N 3.38Å; K539-D580 IonicContact NZ-OD2 2.77Å; K539-D580 PolarHBondContact NZ-OD2 2.99Å; D580-H588 IonicContact OD1-CE1 3.09Å; D580-H588 PolarHBondContact OD1-CE1 3.1Å; D580-H588 IonicContact OD1-CG 3.71Å; D580-H588 IonicContact OD1-ND1 2.72Å; D580-H588 PolarHBondContact OD1-ND1 3.07Å; D580-H588 IonicContact OD2-CE1 3.88Å; D580-H588 PolarHBondContact OD2-CE1 2.98Å; D580-H588 IonicContact OD2-ND1 2.63Å; D580-H588 PolarHBondContact OD2-ND1 2.97Å; D580-T590 HydrophobicContact CB-CG2 4.34Å; D580-T590 WeakPolarHBondContact CB-OG1 3.43Å; D580-T590 PolarHBondContact OD1-OG1 2.92Å
581	I	74.4	Confident	73.6	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.046	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.4	175.4	-60.1	-163	0	0	0	108.4	L511 P536 V579 D589	L511-I581 HydrophobicContact CD1-CD1 3.67Å; L511-I581 HydrophobicContact CD1-CG1 4.17Å; L511-I581 HydrophobicContact CD2-CG1 4.13Å; P536-I581 HydrophobicContact CB-CD1 4.23Å; P536-I581 HydrophobicContact CB-CG1 4.02Å; V579-I581 HydrophobicContact CG1-CG1 4.21Å; I581-D589 PolarHBondContact N-O 3.42Å; I581-D589 PolarHBondContact O-N 2.89Å
582	R	63.1	Low	73.8	Confident	143 Å²	143	62.2 Å²	62.2	54%	0.54	31%	0.313	S	S	.	.			trans	-75.7	133.8	168.8	-71.5	-177	166.1	-179.1	-3.6	109.8	L534 H588	L534-R582 HydrophobicContact CB-CB 4.48Å; L534-R582 WeakPolarHBondContact CB-O 3.43Å; L534-R582 HydrophobicContact CD1-CB 3.93Å; R582-H588 PolarHBondContact NE-CE1 2.96Å; R582-H588 VanDerWaalsContact NE-CE1 3.31Å; R582-H588 PolarHBondContact NE-NE2 2.98Å
583	S	55.4	Low	74	Confident	34 Å²	34	61.1 Å²	61.1	24%	0.238	30%	0.297	C	S	.	.			trans	-105.1	152	170.2	178	0	0	0	0	109	H585 Y586	S583-H585 PolarHBondContact O-N 3.19Å; S583-H585 PolarHBondContact OG-N 2.9Å; S583-Y586 WeakPolarHBondContact CB-O 3.43Å
584	I	51.7	Low	74.3	Confident	69 Å²	69	63.8 Å²	63.8	35%	0.354	31%	0.31	S	S	.	.	S	Bend	trans	-71.4	-18.8	175.5	-62.3	-177.2	0	0	0	111.1	V479 L496 L534	V479-I584 HydrophobicContact CB-CD1 4.48Å; V479-I584 HydrophobicContact CG1-CD1 4.26Å; V479-I584 HydrophobicContact CG2-CD1 3.39Å; L496-I584 HydrophobicContact CD1-CD1 4.28Å; L496-I584 HydrophobicContact CD1-CG2 4.02Å; L534-I584 HydrophobicContact CD1-CG1 4.22Å; L534-I584 HydrophobicContact CD2-CD1 4.47Å; L534-I584 HydrophobicContact CD2-CG1 4.45Å; L534-I584 HydrophobicContact CG-CG1 4.35Å
585	H	48.3	Very low	74.4	Confident	127 Å²	127	60.8 Å²	60.8	59%	0.588	30%	0.297	S	S	*	.	S	Bend	trans	-119.8	-5.8	-175.4	-71.2	56.5	0	0	0	114.5	S583	S583-H585 PolarHBondContact O-N 3.19Å; S583-H585 PolarHBondContact OG-N 2.9Å
586	Y	52.2	Low	74.5	Confident	177 Å²	177	64 Å²	64	69%	0.694	32%	0.318	S	S	*	.	S	Bend	trans	-136.4	133.8	178.5	-74.5	-88.4	0	0	0	109.6	S583 H588	S583-Y586 WeakPolarHBondContact CB-O 3.43Å; Y586-H588 PolarHBondContact O-N 3.45Å
587	D	55.2	Low	74.4	Confident	155 Å²	155	61.3 Å²	61.3	83%	0.829	31%	0.306	S	S	*	.	S	Bend	trans	-43.4	-56.6	-173.3	-121.4	-23.5	0	0	0	112.7
588	H	63.4	Low	74.4	Confident	85 Å²	85	66.9 Å²	66.9	39%	0.394	33%	0.331	S	S	.	.			trans	-160	132.9	179.7	-87.1	-91.1	0	0	0	110.3	D580 R582 Y586	D580-H588 IonicContact OD1-CE1 3.09Å; D580-H588 PolarHBondContact OD1-CE1 3.1Å; D580-H588 IonicContact OD1-CG 3.71Å; D580-H588 IonicContact OD1-ND1 2.72Å; D580-H588 PolarHBondContact OD1-ND1 3.07Å; D580-H588 IonicContact OD2-CE1 3.88Å; D580-H588 PolarHBondContact OD2-CE1 2.98Å; D580-H588 IonicContact OD2-ND1 2.63Å; D580-H588 PolarHBondContact OD2-ND1 2.97Å; R582-H588 PolarHBondContact NE-CE1 2.96Å; R582-H588 VanDerWaalsContact NE-CE1 3.31Å; R582-H588 PolarHBondContact NE-NE2 2.98Å; Y586-H588 PolarHBondContact O-N 3.45Å
589	D	69.9	Low	74	Confident	53 Å²	53	68.1 Å²	68.1	28%	0.283	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	108	157.7	-172.3	-7.9	0	0	0	108.3	L511 I581	L511-D589 HydrophobicContact CB-CB 4.47Å; L511-D589 VanDerWaalsContact CB-CG 3.45Å; L511-D589 WeakPolarHBondContact CB-OD2 3.17Å; L511-D589 PolarHBondContact N-OD2 2.96Å; I581-D589 PolarHBondContact N-O 3.42Å; I581-D589 PolarHBondContact O-N 2.89Å
590	T	80.9	Confident	73.2	Confident	68 Å²	68	74 Å²	74	42%	0.417	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.9	-178.8	-67.7	0	0	0	0	110.6	C578 V579 D580	C578-T590 HydrophobicContact CB-CG2 4.19Å; V579-T590 WeakPolarHBondContact O-CA 3.33Å; D580-T590 HydrophobicContact CB-CG2 4.34Å; D580-T590 WeakPolarHBondContact CB-OG1 3.43Å; D580-T590 PolarHBondContact OD1-OG1 2.92Å
591	K	84.3	Confident	72.1	Confident	66 Å²	66	82 Å²	82	29%	0.287	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.1	179.4	-172.4	164.5	-179.2	170.8	0	111	L511 N512 V513 C578 V579	L511-K591 HydrophobicContact CD2-CB 3.87Å; L511-K591 HydrophobicContact CG-CB 4.06Å; L511-K591 WeakPolarHBondContact O-CD 3.33Å; L511-K591 WeakPolarHBondContact O-CE 3.25Å; L511-K591 PolarHBondContact O-NZ 3.21Å; N512-K591 PolarHBondContact OD1-NZ 3.04Å; V513-K591 HydrophobicContact CB-CG 4.43Å; V513-K591 HydrophobicContact CG2-CB 3.87Å; V513-K591 HydrophobicContact CG2-CD 4.28Å; V513-K591 HydrophobicContact CG2-CG 4.09Å; C578-K591 WeakPolarHBondContact CA-O 3.44Å; V579-K591 PolarHBondContact N-O 3.06Å; V579-K591 PolarHBondContact O-N 2.78Å
592	C	87.1	Confident	71	Confident	52 Å²	52	88.7 Å²	88.7	35%	0.351	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.4	-178.4	-54.4	0	0	0	0	112.5	K576 V577 C578	K576-C592 HydrophobicContact CD-CB 4.44Å; K576-C592 HydrophobicContact CG-CB 4.11Å; V577-C592 CarbonylContact O-C 3.54Å; V577-C592 VanDerWaalsContact O-CA 3.29Å; V577-C592 WeakPolarHBondContact O-CA 3.36Å; C578-C592 HydrophobicContact CB-CB 4.06Å; C578-C592 WeakPolarHBondContact CB-SG 3.5Å; C578-C592 WeakPolarHBondContact SG-CB 3.41Å; C578-C592 CovalentContact SG-SG 2.04Å; C578-C592 PolarHBondContact SG-SG 3.29Å
593	I	88.1	Confident	70	Confident	46 Å²	46	86.2 Å²	86.2	24%	0.236	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.8	172.3	-58.6	-176.1	0	0	0	108.8	V513 I515 V577	V513-I593 HydrophobicContact CB-CD1 3.89Å; V513-I593 HydrophobicContact CB-CG1 4.42Å; V513-I593 HydrophobicContact CG1-CD1 3.73Å; V513-I593 HydrophobicContact CG1-CG1 4.3Å; V513-I593 WeakPolarHBondContact O-CD1 3.17Å; I515-I593 HydrophobicContact CD1-CG2 4.49Å; I515-I593 HydrophobicContact CG1-CD1 4.45Å; I515-I593 HydrophobicContact CG1-CG2 4.01Å; V577-I593 PolarHBondContact N-O 2.94Å; V577-I593 PolarHBondContact O-N 3.48Å
594	N	89.8	Confident	69.5	Low	91 Å²	91	89.5 Å²	89.5	49%	0.487	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.7	168.8	-63.9	-2.2	0	0	0	109	L543 Y575 K576	L543-N594 HydrophobicContact CD1-CB 4.36Å; Y575-N594 CarbonylContact O-C 3.56Å; Y575-N594 WeakPolarHBondContact O-CA 3.47Å; K576-N594 WeakPolarHBondContact CD-OD1 3.41Å; K576-N594 VanDerWaalsContact CG-OD1 3.28Å; K576-N594 WeakPolarHBondContact CG-OD1 3.08Å
595	V	87.8	Confident	69.3	Low	21 Å²	21	94.1 Å²	94.1	13%	0.127	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145.2	177.5	67.7	0	0	0	0	110.3	I515 V518 I523 Y575 V577	I515-V595 HydrophobicContact CD1-CG1 4.47Å; I515-V595 HydrophobicContact CG1-CB 4.45Å; I515-V595 HydrophobicContact CG1-CG2 4.48Å; I515-V595 HydrophobicContact CG2-CG2 4.47Å; V518-V595 HydrophobicContact CG2-CG2 3.67Å; I523-V595 HydrophobicContact CD1-CG1 3.49Å; I523-V595 VanDerWaalsContact CD1-CG1 3.49Å; I523-V595 HydrophobicContact CG1-CG1 4.03Å; I523-V595 HydrophobicContact CG2-CG1 4.04Å; Y575-V595 PolarHBondContact N-O 3.48Å; Y575-V595 PolarHBondContact O-N 2.63Å; Y575-V595 VanDerWaalsContact O-O 3.11Å; V577-V595 HydrophobicContact CG2-CG1 4.27Å
596	T	87.7	Confident	69.1	Low	73 Å²	73	93.6 Å²	93.6	45%	0.448	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.9	-178.6	-48.5	0	0	0	0	109.3	V518 T573 Q574	V518-T596 WeakPolarHBondContact CG1-O 3.4Å; T573-T596 WeakPolarHBondContact O-CA 3.26Å; Q574-T596 HydrophobicContact CB-CG2 4.47Å
597	T	86.7	Confident	68.7	Low	4 Å²	4	90.1 Å²	90.1	3%	0.025	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-63.2	152.8	173.1	51.6	0	0	0	0	110.8	I523 L569 H570 A572 T573 Y575	I523-T597 HydrophobicContact CD1-CG2 4.41Å; I523-T597 HydrophobicContact CG1-CG2 4.28Å; L569-T597 HydrophobicContact CB-CG2 3.97Å; L569-T597 HydrophobicContact CD1-CG2 3.99Å; H570-T597 WeakPolarHBondContact O-CB 3.35Å; H570-T597 PolarHBondContact O-OG1 3.14Å; A572-T597 WeakPolarHBondContact CA-O 3.46Å; A572-T597 PolarHBondContact N-O 3.3Å; A572-T597 PolarHBondContact N-OG1 3.48Å; A572-T597 VanDerWaalsContact N-OG1 3.15Å; T573-T597 PolarHBondContact N-OG1 3.14Å; T573-T597 PolarHBondContact O-N 3.22Å; T573-T597 PolarHBondContact O-OG1 3.14Å; Y575-T597 HydrophobicContact CD2-CG2 4.11Å; Y575-T597 HydrophobicContact CE2-CG2 3.98Å
598	K	86.8	Confident	68.3	Low	117 Å²	117	87 Å²	87	51%	0.509	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64.3	144.3	174.8	-66.5	-178.3	176.1	-178.8	0	109.9	V518 G519 T520 P571 A572	V518-K598 WeakPolarHBondContact O-CE 3.41Å; G519-K598 PolarHBondContact O-N 2.95Å; T520-K598 WeakPolarHBondContact CA-O 3.4Å; T520-K598 HydrophobicContact CG2-CB 4.02Å; P571-K598 WeakPolarHBondContact CA-O 3.4Å; A572-K598 PolarHBondContact N-O 3.15Å
599	G	77.2	Confident	67.5	Low	33 Å²	33	91.2 Å²	91.2	34%	0.34	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-67.7	165.3	166.3	0	0	0	0	0	111.1	T520 E601	T520-G599 WeakPolarHBondContact CG2-O 3.35Å; G599-E601 PolarHBondContact O-N 3.07Å
600	L	67.7	Low	66.7	Low	125 Å²	125	97.2 Å²	97.2	65%	0.654	54%	0.535	S	S	*	.			trans	-63.4	109	163.3	-98.7	70.4	0	0	0	108.3	P571 L602	P571-L600 HydrophobicContact CB-CD1 3.75Å; P571-L600 HydrophobicContact CG-CD1 3.48Å; P571-L600 VanDerWaalsContact CG-CD1 3.48Å; L600-L602 VanDerWaalsContact C-N 3.3Å; L600-L602 PolarHBondContact O-N 3.36Å
601	E	57.4	Low	65.5	Low	174 Å²	174	98.6 Å²	98.6	81%	0.813	54%	0.54	S	S	*	.			trans	-65.6	96.2	157.9	-73	-179.4	-166.8	0	0	107.4	G599 A603	G599-E601 PolarHBondContact O-N 3.07Å; E601-A603 PolarHBondContact O-N 3Å; E601-A603 VanDerWaalsContact O-N 3.14Å
602	L	49.4	Very low	64.2	Low	150 Å²	150	98.7 Å²	98.7	79%	0.785	55%	0.553	S	S	*	*			trans	-57.1	119.4	157.1	-103.5	77.5	0	0	0	106.4	L600 A604	L600-L602 VanDerWaalsContact C-N 3.3Å; L600-L602 PolarHBondContact O-N 3.36Å; L602-A604 PolarHBondContact O-N 3.35Å
603	A	42.5	Very low	63	Low	90 Å²	90	98.5 Å²	98.5	74%	0.744	56%	0.555	S	S	*	*			trans	-68.3	80.2	176.6	0	0	0	0	0	109.9	E601 K605	E601-A603 PolarHBondContact O-N 3Å; E601-A603 VanDerWaalsContact O-N 3.14Å; A603-K605 PolarHBondContact O-N 3.23Å
604	A	45.6	Very low	61.8	Low	103 Å²	103	100.6 Å²	100.6	85%	0.851	57%	0.566	S	S	*	*			trans	-73.9	61.1	177	0	0	0	0	0	110.7	L602	L602-A604 PolarHBondContact O-N 3.35Å
605	K	47.3	Very low	60.7	Low	167 Å²	167	102.1 Å²	102.1	73%	0.726	57%	0.573	S	S	*	*	S	Bend	trans	-146.5	129.8	179.9	-137.7	172.8	-177.8	177	0	110.6	A603 T607	A603-K605 PolarHBondContact O-N 3.23Å; K605-T607 PolarHBondContact O-N 3.36Å
606	D	44.6	Very low	59.8	Low	116 Å²	116	105.3 Å²	105.3	62%	0.62	59%	0.592	S	S	*	*	S	Bend	trans	64.7	15.5	166.6	-56.9	-45	0	0	0	119.8
607	T	43.6	Very low	59.2	Low	103 Å²	103	106.2 Å²	106.2	63%	0.632	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-65.5	-44.6	165.1	47.2	0	0	0	0	112.6	K605 K609 W610	K605-T607 PolarHBondContact O-N 3.36Å; T607-K609 PolarHBondContact O-N 3.48Å; T607-W610 PolarHBondContact O-N 2.93Å; T607-W610 VanDerWaalsContact O-N 3.1Å
608	A	46.9	Very low	58.4	Low	90 Å²	90	112.1 Å²	112.1	74%	0.744	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-63.2	-1.8	-170.7	0	0	0	0	0	116.6
609	K	46.8	Very low	57.8	Low	174 Å²	174	108.4 Å²	108.4	76%	0.757	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-99.8	-23	175.8	-105.5	-179.1	177.8	176	0	114.3	T607	T607-K609 PolarHBondContact O-N 3.48Å
610	W	51.8	Low	57.8	Low	179 Å²	179	111.4 Å²	111.4	68%	0.678	63%	0.63	S	S	*	*	H	α-helix	trans	-84.5	-34.2	-176.4	-74.7	100.7	0	0	0	112.8	T607 A612 A613 L614	T607-W610 PolarHBondContact O-N 2.93Å; T607-W610 VanDerWaalsContact O-N 3.1Å; W610-A612 PolarHBondContact O-N 3.08Å; W610-A613 PolarHBondContact O-N 2.92Å; W610-A613 VanDerWaalsContact O-N 3.1Å; W610-L614 HydrophobicContact CB-CD1 4.46Å; W610-L614 HydrophobicContact CE3-CD1 4.21Å; W610-L614 PolarHBondContact O-N 2.94Å
611	D	55.8	Low	58.2	Low	97 Å²	97	110.5 Å²	110.5	52%	0.519	63%	0.625	S	S	.	*	H	α-helix	trans	-57.4	-45.7	-176.5	-61.8	-36.3	0	0	0	112.6	A613 L614 I615	D611-A613 VanDerWaalsContact C-N 3.29Å; D611-A613 PolarHBondContact O-N 2.68Å; D611-L614 PolarHBondContact O-N 3.39Å; D611-I615 HydrophobicContact CB-CD1 4.33Å; D611-I615 VanDerWaalsContact O-CB 3.25Å; D611-I615 WeakPolarHBondContact O-CB 3.45Å; D611-I615 WeakPolarHBondContact O-CD1 3.23Å; D611-I615 WeakPolarHBondContact O-CG1 3.26Å; D611-I615 PolarHBondContact O-N 3.05Å
612	A	58.2	Low	59.1	Low	68 Å²	68	107.5 Å²	107.5	56%	0.562	61%	0.614	S	S	*	*	H	α-helix	trans	-62.9	-34.5	179.1	0	0	0	0	0	113	W610 T616	W610-A612 PolarHBondContact O-N 3.08Å; A612-T616 WeakPolarHBondContact O-CG2 3.29Å; A612-T616 PolarHBondContact O-N 3.45Å; A612-T616 PolarHBondContact O-OG1 3.2Å
613	A	60.6	Low	60.4	Low	47 Å²	47	102.8 Å²	102.8	39%	0.388	60%	0.597	S	S	.	*	H	α-helix	trans	-76.3	-44.1	178	0	0	0	0	0	111.7	W610 D611 T616 V617	W610-A613 PolarHBondContact O-N 2.92Å; W610-A613 VanDerWaalsContact O-N 3.1Å; D611-A613 VanDerWaalsContact C-N 3.29Å; D611-A613 PolarHBondContact O-N 2.68Å; A613-T616 PolarHBondContact O-OG1 3.39Å; A613-T616 VanDerWaalsContact O-OG1 3.09Å; A613-V617 WeakPolarHBondContact O-CB 3.35Å; A613-V617 VanDerWaalsContact O-CG2 3.3Å; A613-V617 WeakPolarHBondContact O-CG2 3.46Å; A613-V617 PolarHBondContact O-N 3.22Å
614	L	63.3	Low	62.2	Low	90 Å²	90	102.8 Å²	102.8	47%	0.471	59%	0.587	S	S	.	*	H	α-helix	trans	-65.2	-44.5	175.3	-94.8	86.6	0	0	0	111.9	W610 D611 T616 V617 F618	W610-L614 HydrophobicContact CB-CD1 4.46Å; W610-L614 HydrophobicContact CE3-CD1 4.21Å; W610-L614 PolarHBondContact O-N 2.94Å; D611-L614 PolarHBondContact O-N 3.39Å; L614-T616 VanDerWaalsContact C-N 3.32Å; L614-T616 PolarHBondContact O-N 3.36Å; L614-V617 PolarHBondContact O-N 3.44Å; L614-F618 HydrophobicContact CD2-CE2 4.33Å; L614-F618 WeakPolarHBondContact O-CB 3.24Å; L614-F618 WeakPolarHBondContact O-CD2 3.43Å; L614-F618 PolarHBondContact O-N 3.16Å
615	I	67.4	Low	63.9	Low	123 Å²	123	101.3 Å²	101.3	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-63.3	-39	-178.7	-68.8	166.1	0	0	0	111.1	D611 G619	D611-I615 HydrophobicContact CB-CD1 4.33Å; D611-I615 VanDerWaalsContact O-CB 3.25Å; D611-I615 WeakPolarHBondContact O-CB 3.45Å; D611-I615 WeakPolarHBondContact O-CD1 3.23Å; D611-I615 WeakPolarHBondContact O-CG1 3.26Å; D611-I615 PolarHBondContact O-N 3.05Å; I615-G619 PolarHBondContact O-N 2.89Å
616	T	68.8	Low	65.2	Low	88 Å²	88	96.2 Å²	96.2	54%	0.54	55%	0.553	S	S	.	*	H	α-helix	trans	-70.3	-41.9	175.6	47.2	0	0	0	0	112.4	A612 A613 L614 G619 V620	A612-T616 WeakPolarHBondContact O-CG2 3.29Å; A612-T616 PolarHBondContact O-N 3.45Å; A612-T616 PolarHBondContact O-OG1 3.2Å; A613-T616 PolarHBondContact O-OG1 3.39Å; A613-T616 VanDerWaalsContact O-OG1 3.09Å; L614-T616 VanDerWaalsContact C-N 3.32Å; L614-T616 PolarHBondContact O-N 3.36Å; T616-G619 PolarHBondContact O-N 2.96Å; T616-V620 WeakPolarHBondContact O-CG2 3.46Å; T616-V620 PolarHBondContact O-N 3.43Å
617	V	74.1	Confident	66.8	Low	92 Å²	92	96.4 Å²	96.4	56%	0.558	55%	0.553	S	S	*	*	H	α-helix	trans	-63.4	-48.3	175.3	170.5	0	0	0	0	111.6	A613 L614 G619 V620 L621	A613-V617 WeakPolarHBondContact O-CB 3.35Å; A613-V617 VanDerWaalsContact O-CG2 3.3Å; A613-V617 WeakPolarHBondContact O-CG2 3.46Å; A613-V617 PolarHBondContact O-N 3.22Å; L614-V617 PolarHBondContact O-N 3.44Å; V617-G619 PolarHBondContact O-N 3.26Å; V617-V620 PolarHBondContact O-N 3.4Å; V617-L621 WeakPolarHBondContact O-CB 3.39Å; V617-L621 PolarHBondContact O-N 2.99Å
618	F	71.3	Confident	68.5	Low	128 Å²	128	94 Å²	94	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-64.6	-37.6	176.8	-91.5	-86.7	0	0	0	112.3	L614 L621 L622	L614-F618 HydrophobicContact CD2-CE2 4.33Å; L614-F618 WeakPolarHBondContact O-CB 3.24Å; L614-F618 WeakPolarHBondContact O-CD2 3.43Å; L614-F618 PolarHBondContact O-N 3.16Å; F618-L621 PolarHBondContact O-N 3.39Å; F618-L622 WeakPolarHBondContact O-CB 3.49Å; F618-L622 PolarHBondContact O-N 3.08Å
619	G	72.9	Confident	69.9	Low	40 Å²	40	93.5 Å²	93.5	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-44.6	175.2	0	0	0	0	0	112.8	I615 T616 V617 A623	I615-G619 PolarHBondContact O-N 2.89Å; T616-G619 PolarHBondContact O-N 2.96Å; V617-G619 PolarHBondContact O-N 3.26Å; G619-A623 WeakPolarHBondContact O-CB 3.45Å; G619-A623 PolarHBondContact O-N 3.18Å
620	V	77.6	Confident	71.2	Confident	96 Å²	96	90.6 Å²	90.6	58%	0.582	53%	0.527	S	S	*	.	H	α-helix	trans	-63.5	-42.9	173.6	170.2	0	0	0	0	111	T616 V617 A623 V624	T616-V620 WeakPolarHBondContact O-CG2 3.46Å; T616-V620 PolarHBondContact O-N 3.43Å; V617-V620 PolarHBondContact O-N 3.4Å; V620-A623 PolarHBondContact O-N 3Å; V620-V624 HydrophobicContact CG1-CG2 4.45Å; V620-V624 WeakPolarHBondContact O-CG2 3.42Å; V620-V624 PolarHBondContact O-N 2.86Å
621	L	76.6	Confident	72.3	Confident	105 Å²	105	90.2 Å²	90.2	55%	0.55	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-39.3	-178.8	-156.2	147.7	0	0	0	111.7	V617 F618 V624 V625	V617-L621 WeakPolarHBondContact O-CB 3.39Å; V617-L621 PolarHBondContact O-N 2.99Å; F618-L621 PolarHBondContact O-N 3.39Å; L621-V624 PolarHBondContact O-N 3.17Å; L621-V625 HydrophobicContact CD2-CG2 4.15Å; L621-V625 WeakPolarHBondContact O-CB 3.47Å; L621-V625 VanDerWaalsContact O-CG2 3.32Å; L621-V625 WeakPolarHBondContact O-CG2 3.43Å; L621-V625 PolarHBondContact O-N 3.26Å
622	L	76.1	Confident	73.2	Confident	111 Å²	111	92.2 Å²	92.2	58%	0.581	53%	0.534	S	S	*	.	H	α-helix	trans	-63.1	-39.1	170.4	-99.9	160.9	0	0	0	112.8	F618 S626	F618-L622 WeakPolarHBondContact O-CB 3.49Å; F618-L622 PolarHBondContact O-N 3.08Å; L622-S626 VanDerWaalsContact O-CB 3.29Å; L622-S626 WeakPolarHBondContact O-CB 3.32Å; L622-S626 PolarHBondContact O-N 2.84Å; L622-S626 PolarHBondContact O-OG 3.11Å
623	A	76	Confident	73.9	Confident	51 Å²	51	96.7 Å²	96.7	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-66.1	-42.6	175.9	0	0	0	0	0	111.7	G619 V620 S626 L627	G619-A623 WeakPolarHBondContact O-CB 3.45Å; G619-A623 PolarHBondContact O-N 3.18Å; V620-A623 PolarHBondContact O-N 3Å; A623-S626 PolarHBondContact O-N 3.03Å; A623-L627 WeakPolarHBondContact O-CB 3.28Å; A623-L627 WeakPolarHBondContact O-CG 3.27Å; A623-L627 PolarHBondContact O-N 3.05Å
624	V	81.3	Confident	74.2	Confident	91 Å²	91	97.1 Å²	97.1	55%	0.552	54%	0.541	S	S	*	.	H	α-helix	trans	-63.9	-45.5	175.6	170.4	0	0	0	0	111.3	V620 L621 L627 A628	V620-V624 HydrophobicContact CG1-CG2 4.45Å; V620-V624 WeakPolarHBondContact O-CG2 3.42Å; V620-V624 PolarHBondContact O-N 2.86Å; L621-V624 PolarHBondContact O-N 3.17Å; V624-L627 PolarHBondContact O-N 3.13Å; V624-A628 WeakPolarHBondContact O-CB 3.19Å; V624-A628 PolarHBondContact O-N 3.04Å
625	V	81.4	Confident	74.1	Confident	71 Å²	71	95 Å²	95	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-42.1	174.8	170.5	0	0	0	0	111.2	L621 L627 A628 C629	L621-V625 HydrophobicContact CD2-CG2 4.15Å; L621-V625 WeakPolarHBondContact O-CB 3.47Å; L621-V625 VanDerWaalsContact O-CG2 3.32Å; L621-V625 WeakPolarHBondContact O-CG2 3.43Å; L621-V625 PolarHBondContact O-N 3.26Å; V625-L627 PolarHBondContact O-N 2.83Å; V625-A628 PolarHBondContact O-N 3.05Å; V625-C629 WeakPolarHBondContact O-CB 3.28Å; V625-C629 PolarHBondContact O-N 3.16Å; V625-C629 PolarHBondContact O-SG 3.31Å; V625-C629 VanDerWaalsContact O-SG 3.35Å
626	S	75.1	Confident	73.7	Confident	61 Å²	61	93.9 Å²	93.9	43%	0.427	53%	0.529	S	S	.	.	H	α-helix	trans	-63.3	-42.6	177.4	-58.9	0	0	0	0	112.2	L622 A623 C629 L630	L622-S626 VanDerWaalsContact O-CB 3.29Å; L622-S626 WeakPolarHBondContact O-CB 3.32Å; L622-S626 PolarHBondContact O-N 2.84Å; L622-S626 PolarHBondContact O-OG 3.11Å; A623-S626 PolarHBondContact O-N 3.03Å; S626-C629 PolarHBondContact O-N 3.06Å; S626-L630 WeakPolarHBondContact O-CB 3.48Å; S626-L630 WeakPolarHBondContact O-CG 3.07Å; S626-L630 PolarHBondContact O-N 3.19Å
627	L	78.4	Confident	72.9	Confident	119 Å²	119	99.1 Å²	99.1	62%	0.623	54%	0.539	S	S	*	.	H	α-helix	trans	-64.1	-42.7	173.9	-78.7	166.1	0	0	0	111.7	A623 V624 V625 L630 F631	A623-L627 WeakPolarHBondContact O-CB 3.28Å; A623-L627 WeakPolarHBondContact O-CG 3.27Å; A623-L627 PolarHBondContact O-N 3.05Å; V624-L627 PolarHBondContact O-N 3.13Å; V625-L627 PolarHBondContact O-N 2.83Å; L627-L630 PolarHBondContact O-N 2.89Å; L627-F631 WeakPolarHBondContact O-CB 3.47Å; L627-F631 PolarHBondContact O-N 2.87Å
628	A	77.6	Confident	71.7	Confident	54 Å²	54	101.8 Å²	101.8	45%	0.446	55%	0.55	S	S	.	.	H	α-helix	trans	-61.7	-44.7	175.6	0	0	0	0	0	111.6	V624 V625 F631 F632	V624-A628 WeakPolarHBondContact O-CB 3.19Å; V624-A628 PolarHBondContact O-N 3.04Å; V625-A628 PolarHBondContact O-N 3.05Å; A628-F631 PolarHBondContact O-N 3.42Å; A628-F632 WeakPolarHBondContact O-CB 3.33Å; A628-F632 PolarHBondContact O-N 3.06Å
629	C	76.8	Confident	70.9	Confident	79 Å²	79	104.7 Å²	104.7	53%	0.534	56%	0.557	S	S	.	*	H	α-helix	trans	-63.4	-40.7	175.4	-72.9	0	0	0	0	112.6	V625 S626 F632 Y633	V625-C629 WeakPolarHBondContact O-CB 3.28Å; V625-C629 PolarHBondContact O-N 3.16Å; V625-C629 PolarHBondContact O-SG 3.31Å; V625-C629 VanDerWaalsContact O-SG 3.35Å; S626-C629 PolarHBondContact O-N 3.06Å; C629-F632 PolarHBondContact O-N 3.23Å; C629-Y633 VanDerWaalsContact O-CB 3.3Å; C629-Y633 WeakPolarHBondContact O-CB 3.39Å; C629-Y633 PolarHBondContact O-N 3.22Å
630	L	74.6	Confident	69.4	Low	113 Å²	113	113.1 Å²	113.1	59%	0.592	58%	0.578	S	S	*	*	H	α-helix	trans	-63.5	-40.9	173.6	-76.6	167.2	0	0	0	111.9	S626 L627 Y633 A634	S626-L630 WeakPolarHBondContact O-CB 3.48Å; S626-L630 WeakPolarHBondContact O-CG 3.07Å; S626-L630 PolarHBondContact O-N 3.19Å; L627-L630 PolarHBondContact O-N 2.89Å; L630-Y633 PolarHBondContact O-N 3.25Å; L630-A634 WeakPolarHBondContact O-CB 3.47Å; L630-A634 PolarHBondContact O-N 3.24Å
631	F	75.1	Confident	67.9	Low	170 Å²	170	117.3 Å²	117.3	75%	0.746	59%	0.589	S	S	*	*	H	α-helix	trans	-67	-39.3	176	-153	-86.3	0	0	0	111.8	L627 A628 A634 S635	L627-F631 WeakPolarHBondContact O-CB 3.47Å; L627-F631 PolarHBondContact O-N 2.87Å; A628-F631 PolarHBondContact O-N 3.42Å; F631-A634 PolarHBondContact O-N 3.31Å; F631-S635 VanDerWaalsContact O-CB 3.3Å; F631-S635 WeakPolarHBondContact O-CB 3.35Å; F631-S635 PolarHBondContact O-N 3.01Å
632	F	73.6	Confident	66.2	Low	140 Å²	140	122.9 Å²	122.9	61%	0.614	60%	0.604	S	S	*	*	H	α-helix	trans	-67.1	-39.4	174.6	-129.2	-93.2	0	0	0	112	A628 C629 S635 L636	A628-F632 WeakPolarHBondContact O-CB 3.33Å; A628-F632 PolarHBondContact O-N 3.06Å; C629-F632 PolarHBondContact O-N 3.23Å; F632-S635 WeakPolarHBondContact O-CB 3.31Å; F632-S635 PolarHBondContact O-N 2.96Å; F632-L636 HydrophobicContact CD1-CD1 3.9Å; F632-L636 HydrophobicContact CD1-CG 4.33Å; F632-L636 HydrophobicContact CE1-CD1 4.5Å; F632-L636 WeakPolarHBondContact O-CB 3.47Å; F632-L636 WeakPolarHBondContact O-CG 3.27Å; F632-L636 PolarHBondContact O-N 3.23Å
633	Y	73.1	Confident	64.5	Low	161 Å²	161	121.6 Å²	121.6	63%	0.631	62%	0.617	S	S	*	*	H	α-helix	trans	-65.9	-41.9	175.2	-174.4	-108.1	0	0	0	111.8	C629 L630 L636 R637	C629-Y633 VanDerWaalsContact O-CB 3.3Å; C629-Y633 WeakPolarHBondContact O-CB 3.39Å; C629-Y633 PolarHBondContact O-N 3.22Å; L630-Y633 PolarHBondContact O-N 3.25Å; Y633-L636 PolarHBondContact O-N 2.77Å; Y633-R637 VanDerWaalsContact O-CB 3.25Å; Y633-R637 WeakPolarHBondContact O-CB 3.49Å; Y633-R637 PolarHBondContact O-N 2.83Å
634	A	66.8	Low	62.5	Low	56 Å²	56	126.6 Å²	126.6	46%	0.463	64%	0.637	S	S	.	*	H	α-helix	trans	-62.7	-42.8	172.2	0	0	0	0	0	112.1	L630 F631 R637 N638	L630-A634 WeakPolarHBondContact O-CB 3.47Å; L630-A634 PolarHBondContact O-N 3.24Å; F631-A634 PolarHBondContact O-N 3.31Å; A634-R637 PolarHBondContact O-N 2.92Å; A634-N638 PolarHBondContact O-N 2.82Å
635	S	61.5	Low	60.3	Low	47 Å²	47	128.9 Å²	128.9	33%	0.329	65%	0.645	S	S	.	*	H	α-helix	trans	-61.2	-47.4	175.4	-178.7	0	0	0	0	112.4	F631 F632 N638 R639	F631-S635 VanDerWaalsContact O-CB 3.3Å; F631-S635 WeakPolarHBondContact O-CB 3.35Å; F631-S635 PolarHBondContact O-N 3.01Å; F632-S635 WeakPolarHBondContact O-CB 3.31Å; F632-S635 PolarHBondContact O-N 2.96Å; S635-N638 PolarHBondContact O-N 3.27Å; S635-R639 WeakPolarHBondContact O-CG 3.11Å; S635-R639 PolarHBondContact O-N 3.07Å; S635-R639 VanDerWaalsContact O-N 3.15Å
636	L	59.5	Low	58	Low	99 Å²	99	136.3 Å²	136.3	52%	0.518	67%	0.665	S	S	.	*	H	α-helix	trans	-65.2	-41.8	177.2	-78.3	165.3	0	0	0	112.1	F632 Y633 N638 R639 Y640	F632-L636 HydrophobicContact CD1-CD1 3.9Å; F632-L636 HydrophobicContact CD1-CG 4.33Å; F632-L636 HydrophobicContact CE1-CD1 4.5Å; F632-L636 WeakPolarHBondContact O-CB 3.47Å; F632-L636 WeakPolarHBondContact O-CG 3.27Å; F632-L636 PolarHBondContact O-N 3.23Å; Y633-L636 PolarHBondContact O-N 2.77Å; L636-N638 PolarHBondContact O-N 3.15Å; L636-R639 PolarHBondContact O-N 3.25Å; L636-Y640 PolarHBondContact O-N 2.85Å; L636-Y640 VanDerWaalsContact O-N 3.1Å
637	R	51.8	Low	55.9	Low	197 Å²	197	144 Å²	144	74%	0.743	69%	0.685	S	S	*	*	H	α-helix	trans	-60.1	-34.3	174.7	-173.8	176.2	177.8	-172.8	-1	112.2	Y633 A634	Y633-R637 VanDerWaalsContact O-CB 3.25Å; Y633-R637 WeakPolarHBondContact O-CB 3.49Å; Y633-R637 PolarHBondContact O-N 2.83Å; A634-R637 PolarHBondContact O-N 2.92Å
638	N	49.7	Very low	53.6	Low	148 Å²	148	149.1 Å²	149.1	79%	0.791	70%	0.697	S	S	*	*	H	α-helix	trans	-76.3	-19.6	173.8	-108.1	8.9	0	0	0	114.2	A634 S635 L636	A634-N638 PolarHBondContact O-N 2.82Å; S635-N638 PolarHBondContact O-N 3.27Å; L636-N638 PolarHBondContact O-N 3.15Å
639	R	52.8	Low	51.3	Low	189 Å²	189	153 Å²	153	71%	0.713	71%	0.711	S	S	*	*	H	α-helix	trans	-93.2	-16.5	178.7	-70.8	-174.6	-176.5	-148.2	0.1	114	S635 L636 F641	S635-R639 WeakPolarHBondContact O-CG 3.11Å; S635-R639 PolarHBondContact O-N 3.07Å; S635-R639 VanDerWaalsContact O-N 3.15Å; L636-R639 PolarHBondContact O-N 3.25Å; R639-F641 PolarHBondContact O-N 3.46Å
640	Y	42.3	Very low	49.4	Very low	217 Å²	217	153.7 Å²	153.7	85%	0.851	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	6.8	-177.8	-139.7	-93.6	0	0	0	115.1	L636	L636-Y640 PolarHBondContact O-N 2.85Å; L636-Y640 VanDerWaalsContact O-N 3.1Å
641	F	46.3	Very low	47.4	Very low	185 Å²	185	157.8 Å²	157.8	81%	0.811	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-3.6	179.1	-141.3	-91.9	0	0	0	114.4	R639	R639-F641 PolarHBondContact O-N 3.46Å
642	Y	41.4	Very low	45.2	Very low	222 Å²	222	153.3 Å²	153.3	87%	0.871	72%	0.724	S	S	*	*	S	Bend	trans	-144.4	140.5	177.2	-89.3	-90.5	0	0	0	111
643	G	39.5	Very low	43	Very low	83 Å²	83	154.2 Å²	154.2	86%	0.856	73%	0.734	S	S	*	*			trans	111.7	33.8	165.8	0	0	0	0	0	118.1
644	N	33.1	Very low	41	Very low	156 Å²	156	153.1 Å²	153.1	83%	0.834	74%	0.739	S	S	*	*			trans	-77.8	142	160.4	-170	0.2	0	0	0	109.6
645	I	35.7	Very low	38.9	Very low	139 Å²	139	156 Å²	156	71%	0.713	75%	0.75	S	S	*	*			trans	139	125.6	160.3	-76.1	158.9	0	0	0	114.3
646	R	32.8	Very low	37.9	Very low	227 Å²	227	159.2 Å²	159.2	86%	0.857	77%	0.77	S	S	*	*			trans	59.2	131.2	162.7	-70.8	163.6	-173	178.7	0.5	118.1
647	R	31.2	Very low	36.4	Very low	224 Å²	224	160.8 Å²	160.8	85%	0.845	78%	0.784	S	S	*	*			cis	76.2	104.2	18.8	-158.4	-168.3	-164.7	178.2	8.5	116.1
648	Y	29.6	Very low	35.6	Very low	225 Å²	225	160.2 Å²	160.2	88%	0.882	79%	0.789	S	S	*	*			trans	-162.7	150.8	147.2	-126.9	-85.2	0	0	0	111.9
649	D	31.1	Very low	34.5	Very low	136 Å²	136	157.9 Å²	157.9	73%	0.727	79%	0.791	S	S	*	*			trans	-89.9	-176.3	178.7	-50.1	-93	0	0	0	111.4
650	S	35.5	Very low	33.5	Very low	93 Å²	93	155.7 Å²	155.7	65%	0.65	80%	0.799	S	S	*	*			cis	-171.5	157.1	20.7	63.1	0	0	0	0	114.6
651	K	32.8	Very low	32.8	Very low	199 Å²	199	148.6 Å²	148.6	87%	0.865	79%	0.791	S	S	*	*			trans	68.7	152.5	147.3	-75.3	171.2	-178.1	179.7	0	118.9
652	A	28.8	Very low	31.9	Very low	77 Å²	77	147.2 Å²	147.2	64%	0.636	79%	0.791	S	S	*	*			cis	-162.5	163.3	0.7	0	0	0	0	0	113.3
653	L	28.2	Very low	31.3	Very low	158 Å²	158	144.3 Å²	144.3	83%	0.827	79%	0.786	S	S	*	*			trans	61.3	145.7	164.3	-87.8	70.5	0	0	0	117.2
654	L	29.5	Very low	30.5	Very low	139 Å²	139	144.7 Å²	144.7	73%	0.728	78%	0.775	S	S	*	*			cis	-142.4	158.4	-0.5	-106.8	171.3	0	0	0	110.9
655	T	24	Very low	30.2	Very low	115 Å²	115	141.7 Å²	141.7	71%	0.706	77%	0.766	S	S	*	*			trans	-20.3	165.1	161.8	54.2	0	0	0	0	120.7
656	P	40.8	Very low	29.9	Very low	115 Å²	115	143.2 Å²	143.2	75%	0.747	77%	0.768	S	S	*	*			cis	-130.8	-153.7	-20.3	29.9	-4.5	0	0	0	110.1
657	V	27.8	Very low	29.6	Very low	132 Å²	132	141 Å²	141	80%	0.8	77%	0.765	S	S	*	*			cis	-146.1	137.2	-2.4	-164.9	0	0	0	0	108
658	E	33.8	Very low	29.4	Very low	185 Å²	185	135.3 Å²	135.3	86%	0.864	76%	0.755	S	S	*	*			trans	-175.4	151.7	144.8	-128.1	-178.3	-150.7	0	0	111.2
659	A	28.3	Very low	29.3	Very low	100 Å²	100	133.8 Å²	133.8	83%	0.826	75%	0.753	S	S	*	*			trans	-162.5	141	166.8	0	0	0	0	0	112
660	T	31.3	Very low	29	Very low	143 Å²	143	135.8 Å²	135.8	88%	0.877	76%	0.763	S	S	*	*			trans	-127.7	163.2	-179.9	52.6	0	0	0	0	112.5
661	G	27.1	Very low	28.5	Very low	67 Å²	67	142.7 Å²	142.7	69%	0.691	78%	0.775	S	S	*	*			trans	168.9	157.3	168.2	0	0	0	0	0	112.7
662	L	27.6	Very low	28.1	Very low	156 Å²	156	140.8 Å²	140.8	82%	0.817	77%	0.774	S	S	*	*			cis	-162.7	152	-12.2	-150.2	78.5	0	0	0	110.6
663	H	27.8	Very low	28.1	Very low	162 Å²	162	142.1 Å²	142.1	75%	0.75	78%	0.779	S	S	*	*			trans	45.1	98.5	155	-90.8	-68.6	0	0	0	123.8
664	S	24.3	Very low	28	Very low	90 Å²	90	138.2 Å²	138.2	63%	0.629	78%	0.777	S	S	*	*				41.6	123.6	119.4	67.7	0	0	0	0	125.2
665	S	27.1	Very low	28	Very low	93 Å²	93	141.3 Å²	141.3	65%	0.65	79%	0.785	S	S	*	*				100.2	148.3	119.9	73.4	0	0	0	0	123.4
666	F	27.4	Very low	28.1	Very low	171 Å²	171	139.2 Å²	139.2	75%	0.75	79%	0.786	S	S	*	*			trans	70.6	143.3	174.5	-64.1	-83.6	0	0	0	117.2
667	F	28	Very low	27.4	Very low	180 Å²	180	140.2 Å²	140.2	79%	0.789	79%	0.789	S	S	*	*			cis	-134.8	172.9	5.5	-116.5	-72.6	0	0	0	113.3
668	T	27.2	Very low	27.6	Very low	106 Å²	106	139.8 Å²	139.8	65%	0.65	79%	0.79	S	S	*	*			trans	-50.9	151.5	-173	47.4	0	0	0	0	122
669	K	27.5	Very low	27.5	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.835	78%	0.783	S	S	*	*			trans	37.4	126.6	136	-62	-179.9	175.4	-178.6	0	120.4
670	L	23.5	Very low	27.5	Very low	178 Å²	178	135 Å²	135	93%	0.932	78%	0.784	S	S	*	*				-153.7	174.6	104.8	-145.5	65.9	0	0	0	111.4
671	W	25.7	Very low	27.4	Very low	239 Å²	239	134.3 Å²	134.3	91%	0.905	78%	0.779	S	S	*	*			trans	-120.6	127.9	-177.6	179.9	-13.3	0	0	0	107.3
672	D	23.5	Very low	27.5	Very low	158 Å²	158	137.4 Å²	137.4	85%	0.845	78%	0.775	S	S	*	*			trans	-150.9	167.4	155.1	-150.8	-6.2	0	0	0	111.8
673	S	29.8	Very low	27.5	Very low	105 Å²	105	133.5 Å²	133.5	73%	0.734	76%	0.758	S	S	*	*			trans	-97.3	129.5	-172.2	-173.3	0	0	0	0	112.2
674	G	26.8	Very low	27.6	Very low	77 Å²	77	132.4 Å²	132.4	79%	0.794	75%	0.751	S	S	*	*			trans	-131.2	118.7	176.4	0	0	0	0	0	111.2
675	K	28.2	Very low	27.9	Very low	203 Å²	203	130.5 Å²	130.5	88%	0.883	74%	0.741	S	S	*	*			trans	-84.1	137.5	-173.3	-65.8	174.4	179.1	174.6	0	113
676	G	25.7	Very low	28.3	Very low	71 Å²	71	130.7 Å²	130.7	73%	0.732	74%	0.738	S	S	*	*			trans	81.9	114.4	139.6	0	0	0	0	0	118
677	V	26.6	Very low	28.5	Very low	136 Å²	136	126.2 Å²	126.2	82%	0.824	72%	0.724	S	S	*	*				-170.1	131.9	94.1	155.4	0	0	0	0	107
678	P	32.6	Very low	28.8	Very low	124 Å²	124	122.7 Å²	122.7	81%	0.805	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-80.5	121.8	169.9	0.1	17.8	0	0	0	109.8
679	S	30.8	Very low	28.8	Very low	103 Å²	103	124.1 Å²	124.1	72%	0.72	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-60.4	133.5	163.8	51.9	0	0	0	0	110.1	V681	S679-V681 PolarHBondContact O-N 2.76Å
680	G	28.7	Very low	29	Very low	82 Å²	82	119.9 Å²	119.9	85%	0.845	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-58.9	131.4	177.2	0	0	0	0	0	111.9
681	V	29.8	Very low	29.1	Very low	127 Å²	127	116.2 Å²	116.2	77%	0.77	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-87.9	118	173.6	177.2	0	0	0	0	108.4	S679 V683	S679-V681 PolarHBondContact O-N 2.76Å; V681-V683 PolarHBondContact O-N 3.4Å
682	E	28.2	Very low	29.3	Very low	133 Å²	133	112 Å²	112	62%	0.621	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-61.9	116.2	175	-172.5	-168.6	-145.6	0	0	110.1	K684	E682-K684 WeakPolarHBondContact OE2-CE 3.27Å; E682-K684 IonicContact OE2-NZ 3.81Å
683	V	27.7	Very low	29.4	Very low	74 Å²	74	111.8 Å²	111.8	45%	0.448	69%	0.69	S	S	.	*			trans	-101.2	101.2	177.8	-178.2	0	0	0	0	109.6	F553 V681	F553-V683 HydrophobicContact CE1-CG2 4.16Å; V681-V683 PolarHBondContact O-N 3.4Å
684	K	30.3	Very low	29.2	Very low	139 Å²	139	111 Å²	111	60%	0.604	69%	0.689	S	S	*	*			trans	-76.3	130.6	168.9	-67.9	-176.2	179.1	178.8	0	110	E682	E682-K684 WeakPolarHBondContact OE2-CE 3.27Å; E682-K684 IonicContact OE2-NZ 3.81Å
685	A	31.3	Very low	29.3	Very low	50 Å²	50	120.8 Å²	120.8	41%	0.413	71%	0.711	S	S	.	*			trans	-120.8	131.5	176.3	0	0	0	0	0	109.7	Y564	Y564-A685 WeakPolarHBondContact OH-CB 3.39Å
686	T	34.9	Very low	29.4	Very low	97 Å²	97	116.7 Å²	116.7	60%	0.595	70%	0.702	S	S	*	*			trans	-118.6	135.3	-176.9	49.6	0	0	0	0	111.1	I688	T686-I688 PolarHBondContact O-N 3.34Å
687	V	32.4	Very low	29.6	Very low	76 Å²	76	119.1 Å²	119.1	46%	0.461	70%	0.7	S	S	.	*			trans	-75.3	114.7	175.8	177.2	0	0	0	0	109.2	I561 N689	I561-V687 HydrophobicContact CD1-CG1 3.77Å; I561-V687 HydrophobicContact CD1-CG2 4.3Å; V687-N689 PolarHBondContact O-N 3.05Å
688	I	33	Very low	29.7	Very low	106 Å²	106	118.2 Å²	118.2	54%	0.544	69%	0.693	S	S	.	*	S	Bend	trans	-95.8	77.2	179	-60.2	166.2	0	0	0	109.3	N565 T686	N565-I688 HydrophobicContact CB-CD1 4.2Å; N565-I688 WeakPolarHBondContact ND2-CD1 3.47Å; T686-I688 PolarHBondContact O-N 3.34Å
689	N	27.6	Very low	29.6	Very low	136 Å²	136	117.8 Å²	117.8	73%	0.727	69%	0.687	S	S	*	*			trans	175.9	69	147.2	-95.4	-5.4	0	0	0	110.3	V687	V687-N689 PolarHBondContact O-N 3.05Å
690	V	32.2	Very low	29.5	Very low	103 Å²	103	118.8 Å²	118.8	62%	0.624	69%	0.685	S	S	*	*			trans	-100.4	123.7	147.2	-179	0	0	0	0	105.5
691	S	24.5	Very low	29.5	Very low	102 Å²	102	121.2 Å²	121.2	71%	0.713	67%	0.674	S	S	*	*			trans	-89.8	104.4	177.4	54.7	0	0	0	0	109.5	N693	S691-N693 VanDerWaalsContact C-N 3.3Å; S691-N693 PolarHBondContact O-N 2.67Å
692	D	30.4	Very low	29.5	Very low	151 Å²	151	120.8 Å²	120.8	81%	0.807	67%	0.667	S	S	*	*			trans	-64.2	87.4	170.7	-65.7	-40.4	0	0	0	110.4
693	N	25.8	Very low	29.6	Very low	153 Å²	153	119.8 Å²	119.8	82%	0.818	67%	0.671	S	S	*	*			trans	-171.7	127.9	165.2	-86.8	-61.8	0	0	0	107.1	S691	S691-N693 VanDerWaalsContact C-N 3.3Å; S691-N693 PolarHBondContact O-N 2.67Å
694	A	25	Very low	29.8	Very low	87 Å²	87	123.7 Å²	123.7	72%	0.719	69%	0.689	S	S	*	*			cis	-147.2	-173.9	4.2	0	0	0	0	0	111.1
695	F	29.9	Very low	29.7	Very low	284 Å²	284	122.3 Å²	122.3	100%	1.246	70%	0.697	S	S	*	*			trans	-50.1	0	177.4	-65.9	-92.2	0	0	0	114.9

Retrieved 695 of 695 residues in 740.9 ms (Link to these results)

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