A0A087XRA3_POEFO Loading...

Kazal-type serine peptidase inhibitor domain 3

AlphaFold DB , UniProt , Accession A0A087XRA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 243 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	G	65.6	Low	89.4	Confident	93 Å²	93	108.4 Å²	108.4	96%	0.959	65%	0.645	S	S	*	*				0	152.1	0	0	0	0	0	0	109
2	R	81.8	Confident	89.9	Confident	256 Å²	256	107.6 Å²	107.6	97%	0.966	65%	0.645	S	S	*	*			trans	-75.4	143.1	166.4	-63.4	-178.1	-159.8	-158.8	3.9	108
3	C	87.1	Confident	90.2	Very high	64 Å²	64	110.7 Å²	110.7	43%	0.432	65%	0.648	S	S	.	*			trans	-74.5	138.4	174.4	-64.9	0	0	0	0	110	C26	C3-C26 HydrophobicContact CB-CB 3.61Å; C3-C26 WeakPolarHBondContact CB-SG 3.49Å; C3-C26 WeakPolarHBondContact SG-CA 3.4Å; C3-C26 WeakPolarHBondContact SG-CB 3.27Å; C3-C26 CovalentContact SG-SG 2.04Å; C3-C26 PolarHBondContact SG-SG 3.2Å
4	G	89.4	Confident	90.5	Very high	61 Å²	61	105.9 Å²	105.9	63%	0.629	62%	0.622	S	S	*	*			trans	-80.4	-177.8	171.2	0	0	0	0	0	112.2
5	P	93.3	Very high	90.7	Very high	136 Å²	136	112.5 Å²	112.5	88%	0.883	63%	0.633	S	S	*	*			trans	-58.7	140.2	168.5	26.5	-32.9	0	0	0	110.2
6	C	94.4	Very high	90.9	Very high	72 Å²	72	108.6 Å²	108.6	49%	0.486	63%	0.625	S	S	.	*			trans	-75.6	130.8	179.2	176.7	0	0	0	0	110.8	C28	C6-C28 WeakPolarHBondContact CA-SG 3.14Å; C6-C28 HydrophobicContact CB-CB 3.65Å; C6-C28 WeakPolarHBondContact CB-SG 3.38Å; C6-C28 WeakPolarHBondContact SG-CA 3.21Å; C6-C28 WeakPolarHBondContact SG-CB 3.44Å; C6-C28 CovalentContact SG-SG 2.03Å; C6-C28 PolarHBondContact SG-SG 2.64Å
7	D	95.5	Very high	91.2	Very high	78 Å²	78	102.9 Å²	102.9	42%	0.417	59%	0.593	S	S	.	*			trans	-123	98.1	171.5	-171.8	-10.2	0	0	0	109.2	E9 L10 C28	D7-E9 VanDerWaalsContact C-N 3.25Å; D7-E9 PolarHBondContact O-N 3.41Å; D7-E9 PolarHBondContact OD1-N 3.35Å; D7-L10 HydrophobicContact CB-CD1 4.09Å; D7-L10 HydrophobicContact CB-CG 4.28Å; D7-L10 PolarHBondContact O-N 3.34Å; D7-L10 WeakPolarHBondContact OD2-CD1 3.24Å; D7-C28 PolarHBondContact N-SG 2.85Å
8	P	92.4	Very high	91.5	Very high	85 Å²	85	104.2 Å²	104.2	55%	0.552	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-63.2	-26.6	-175.5	-24.4	35.1	0	0	0	114.6	L10 C11	P8-L10 PolarHBondContact O-N 3.01Å; P8-C11 VanDerWaalsContact O-CB 3.3Å; P8-C11 WeakPolarHBondContact O-CB 3.21Å; P8-C11 PolarHBondContact O-N 2.75Å; P8-C11 VanDerWaalsContact O-N 3.15Å
9	E	94.5	Very high	91.8	Very high	176 Å²	176	99.3 Å²	99.3	82%	0.822	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-71.3	-20.4	-177.9	-62.1	-61.7	144.2	0	0	112.1	D7 C11	D7-E9 VanDerWaalsContact C-N 3.25Å; D7-E9 PolarHBondContact O-N 3.41Å; D7-E9 PolarHBondContact OD1-N 3.35Å; E9-C11 VanDerWaalsContact C-N 3.34Å
10	L	94.1	Very high	92	Very high	137 Å²	137	95.4 Å²	95.4	72%	0.717	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-88.7	-3	175.8	-60.8	-179.1	0	0	0	112.9	D7 P8	D7-L10 HydrophobicContact CB-CD1 4.09Å; D7-L10 HydrophobicContact CB-CG 4.28Å; D7-L10 PolarHBondContact O-N 3.34Å; D7-L10 WeakPolarHBondContact OD2-CD1 3.24Å; P8-L10 PolarHBondContact O-N 3.01Å
11	C	95.5	Very high	92.1	Very high	34 Å²	34	95.1 Å²	95.1	23%	0.23	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-74	129.3	-178.1	-69.3	0	0	0	0	111.3	P8 E9 C29	P8-C11 VanDerWaalsContact O-CB 3.3Å; P8-C11 WeakPolarHBondContact O-CB 3.21Å; P8-C11 PolarHBondContact O-N 2.75Å; P8-C11 VanDerWaalsContact O-N 3.15Å; E9-C11 VanDerWaalsContact C-N 3.34Å; C11-C29 WeakPolarHBondContact CA-SG 3.32Å; C11-C29 HydrophobicContact CB-CB 3.64Å; C11-C29 WeakPolarHBondContact CB-SG 3.28Å; C11-C29 WeakPolarHBondContact SG-CA 3.44Å; C11-C29 WeakPolarHBondContact SG-CB 3.46Å; C11-C29 CovalentContact SG-SG 2.04Å; C11-C29 PolarHBondContact SG-SG 3.05Å
12	P	94.8	Very high	93.6	Very high	99 Å²	99	91.3 Å²	91.3	64%	0.643	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-66.9	141.2	174.1	28.7	-33.7	0	0	0	110.3	P14	P12-P14 WeakPolarHBondContact O-CD 3.31Å
13	E	94.8	Very high	94.2	Very high	148 Å²	148	82.2 Å²	82.2	69%	0.692	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-74.7	116.5	175.6	-170.9	-173.5	-160.6	0	0	110.6	R15	E13-R15 IonicContact OE2-NH2 2.81Å
14	P	93.8	Very high	94.4	Very high	44 Å²	44	80.3 Å²	80.3	29%	0.286	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-74.1	139.5	179.7	-18.7	35.6	0	0	0	111.5	P12 C17 L21 S30	P12-P14 WeakPolarHBondContact O-CD 3.31Å; P14-C17 WeakPolarHBondContact CB-SG 3.37Å; P14-L21 HydrophobicContact CB-CD2 3.68Å; P14-L21 HydrophobicContact CG-CD2 3.88Å; P14-S30 WeakPolarHBondContact CG-O 3.37Å
15	R	94.2	Very high	94.4	Very high	205 Å²	205	84 Å²	84	77%	0.774	45%	0.452	S	S	*	.			trans	-124.2	145	178.6	-64.6	-174.6	175.2	-159.3	-3.7	111.1	E13 C17	E13-R15 IonicContact OE2-NH2 2.81Å; R15-C17 VanDerWaalsContact C-N 3.33Å; R15-C17 PolarHBondContact O-N 2.98Å
16	G	94	Very high	94.3	Very high	50 Å²	50	80.5 Å²	80.5	52%	0.515	43%	0.431	S	S	.	.			trans	71.9	23	174.7	0	0	0	0	0	114.8	R18	G16-R18 VanDerWaalsContact C-N 3.29Å; G16-R18 PolarHBondContact O-N 3.31Å
17	C	96.1	Very high	94.1	Very high	11 Å²	11	79.8 Å²	79.8	7%	0.074	44%	0.435	C	S	.	.			trans	-75.9	78.1	-177.7	-54.3	0	0	0	0	112.1	P14 R15 A19 G20 L21 C32	P14-C17 WeakPolarHBondContact CB-SG 3.37Å; R15-C17 VanDerWaalsContact C-N 3.33Å; R15-C17 PolarHBondContact O-N 2.98Å; C17-A19 PolarHBondContact O-N 3.32Å; C17-G20 WeakPolarHBondContact CB-O 3.32Å; C17-G20 WeakPolarHBondContact O-CA 3.23Å; C17-G20 PolarHBondContact O-N 2.83Å; C17-L21 HydrophobicContact CB-CD2 3.86Å; C17-L21 WeakPolarHBondContact SG-CD2 3.42Å; C17-C32 WeakPolarHBondContact CA-SG 3.25Å; C17-C32 HydrophobicContact CB-CB 3.69Å; C17-C32 WeakPolarHBondContact CB-SG 3.35Å; C17-C32 WeakPolarHBondContact SG-CA 3.13Å; C17-C32 WeakPolarHBondContact SG-CB 3.43Å; C17-C32 CovalentContact SG-SG 2.04Å; C17-C32 PolarHBondContact SG-SG 3.27Å
18	R	95.9	Very high	94	Very high	127 Å²	127	77.6 Å²	77.6	48%	0.479	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.3	-178.2	-66.8	179.5	-175.1	179	0.9	114.1	G16 G20 L35 E89 F92	G16-R18 VanDerWaalsContact C-N 3.29Å; G16-R18 PolarHBondContact O-N 3.31Å; R18-G20 VanDerWaalsContact C-N 3.34Å; R18-L35 HydrophobicContact CB-CD2 4.02Å; R18-E89 HydrophobicContact CB-CG 4.2Å; R18-F92 HydrophobicContact CB-CD1 4.37Å; R18-F92 HydrophobicContact CG-CD1 3.59Å; R18-F92 HydrophobicContact CG-CE1 3.97Å; R18-F92 HydrophobicContact CG-CG 4.19Å
19	A	96.5	Very high	94.1	Very high	10 Å²	10	74.6 Å²	74.6	8%	0.083	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	9.6	174.9	0	0	0	0	0	112.9	C17 G33 L35 G53 T54 L56	C17-A19 PolarHBondContact O-N 3.32Å; A19-G33 WeakPolarHBondContact CB-O 3.33Å; A19-L35 HydrophobicContact CB-CD2 3.75Å; A19-L35 HydrophobicContact CB-CG 4.16Å; A19-G53 CarbonylContact O-C 3.53Å; A19-G53 WeakPolarHBondContact O-CA 3.39Å; A19-T54 PolarHBondContact O-N 2.99Å; A19-L56 HydrophobicContact CB-CD1 4.07Å
20	G	95.6	Very high	94.1	Very high	22 Å²	22	68.9 Å²	68.9	23%	0.227	39%	0.386	C	S	.	.			trans	78.7	-174.5	-171.9	0	0	0	0	0	113.4	C17 R18 G33	C17-G20 WeakPolarHBondContact CB-O 3.32Å; C17-G20 WeakPolarHBondContact O-CA 3.23Å; C17-G20 PolarHBondContact O-N 2.83Å; R18-G20 VanDerWaalsContact C-N 3.34Å; G20-G33 PolarHBondContact O-N 3.08Å
21	L	95.8	Very high	94.2	Very high	89 Å²	89	66.9 Å²	66.9	47%	0.466	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.3	-175.9	-61.4	175.4	0	0	0	111.1	P14 C17 E31	P14-L21 HydrophobicContact CB-CD2 3.68Å; P14-L21 HydrophobicContact CG-CD2 3.88Å; C17-L21 HydrophobicContact CB-CD2 3.86Å; C17-L21 WeakPolarHBondContact SG-CD2 3.42Å; L21-E31 CarbonylContact C-O 3.51Å; L21-E31 VanDerWaalsContact CA-O 3.32Å; L21-E31 WeakPolarHBondContact CA-O 3.15Å
22	V	95.9	Very high	94.2	Very high	14 Å²	14	67.9 Å²	67.9	9%	0.085	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154	174	-64.6	0	0	0	0	109.4	S30 E31 L51 C52	V22-S30 CarbonylContact O-C 3.6Å; V22-S30 WeakPolarHBondContact O-CA 3.29Å; V22-E31 HydrophobicContact CG2-CB 4.45Å; V22-E31 PolarHBondContact N-O 2.77Å; V22-E31 PolarHBondContact O-N 2.77Å; V22-L51 HydrophobicContact CB-CB 4.03Å; V22-L51 HydrophobicContact CB-CD1 4.46Å; V22-L51 HydrophobicContact CG1-CB 4.1Å; V22-L51 HydrophobicContact CG2-CB 4.11Å; V22-C52 VanDerWaalsContact CG1-O 3.24Å; V22-C52 WeakPolarHBondContact CG1-O 3.3Å
23	P	94.2	Very high	94.3	Very high	64 Å²	64	63.5 Å²	63.5	42%	0.416	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	144	172.2	25.6	-32.4	0	0	0	111.1	C29 L51	P23-C29 CarbonylContact C-O 3.53Å; P23-C29 WeakPolarHBondContact CA-O 3.34Å; P23-L51 HydrophobicContact CG-CD1 4Å
24	D	91.4	Very high	94.4	Very high	24 Å²	24	57.8 Å²	57.8	13%	0.128	33%	0.327	C	S	.	.			trans	-60.7	177.9	168.3	73.5	13.2	0	0	0	111.7	C26 G27 C28 C29 E31	D24-C26 PolarHBondContact O-N 3.04Å; D24-C26 VanDerWaalsContact O-N 3.07Å; D24-C26 VanDerWaalsContact OD1-C 3.27Å; D24-C26 VanDerWaalsContact OD1-CA 3.3Å; D24-C26 WeakPolarHBondContact OD1-CA 3.37Å; D24-C26 PolarHBondContact OD1-N 2.98Å; D24-G27 PolarHBondContact O-N 3.42Å; D24-G27 PolarHBondContact OD1-N 2.88Å; D24-C28 PolarHBondContact OD1-N 3.17Å; D24-C29 HydrophobicContact CB-CB 4.35Å; D24-C29 VanDerWaalsContact CG-N 3.33Å; D24-C29 PolarHBondContact N-O 2.78Å; D24-C29 VanDerWaalsContact OD2-CB 3.3Å; D24-C29 WeakPolarHBondContact OD2-CB 3.04Å; D24-C29 PolarHBondContact OD2-N 3.37Å; D24-E31 HydrophobicContact CB-CG 4.05Å
25	R	90.4	Very high	94.6	Very high	138 Å²	138	57.6 Å²	57.6	52%	0.521	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.1	177.3	173.5	173.3	-170.8	-170.4	14.6	114.1	A46	R25-A46 HydrophobicContact CB-CB 4.45Å; R25-A46 WeakPolarHBondContact CG-O 3.47Å
26	C	90.6	Very high	94.7	Very high	64 Å²	64	49.4 Å²	49.4	43%	0.432	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6	-175.8	-71	0	0	0	0	113.5	C3 D24 C28	C3-C26 HydrophobicContact CB-CB 3.61Å; C3-C26 WeakPolarHBondContact CB-SG 3.49Å; C3-C26 WeakPolarHBondContact SG-CA 3.4Å; C3-C26 WeakPolarHBondContact SG-CB 3.27Å; C3-C26 CovalentContact SG-SG 2.04Å; C3-C26 PolarHBondContact SG-SG 3.2Å; D24-C26 PolarHBondContact O-N 3.04Å; D24-C26 VanDerWaalsContact O-N 3.07Å; D24-C26 VanDerWaalsContact OD1-C 3.27Å; D24-C26 VanDerWaalsContact OD1-CA 3.3Å; D24-C26 WeakPolarHBondContact OD1-CA 3.37Å; D24-C26 PolarHBondContact OD1-N 2.98Å; C26-C28 VanDerWaalsContact C-N 3.26Å
27	G	90.4	Very high	94.8	Very high	56 Å²	56	49.5 Å²	49.5	58%	0.577	30%	0.295	S	S	*	.	S	Bend	trans	72.4	18.2	-174.1	0	0	0	0	0	113.7	D24	D24-G27 PolarHBondContact O-N 3.42Å; D24-G27 PolarHBondContact OD1-N 2.88Å
28	C	93.4	Very high	94.9	Very high	33 Å²	33	53.2 Å²	53.2	22%	0.223	31%	0.311	C	S	.	.	S	Bend	trans	-98.8	-64.7	-175.5	-175.9	0	0	0	0	111.6	C6 D7 D24 C26	C6-C28 WeakPolarHBondContact CA-SG 3.14Å; C6-C28 HydrophobicContact CB-CB 3.65Å; C6-C28 WeakPolarHBondContact CB-SG 3.38Å; C6-C28 WeakPolarHBondContact SG-CA 3.21Å; C6-C28 WeakPolarHBondContact SG-CB 3.44Å; C6-C28 CovalentContact SG-SG 2.03Å; C6-C28 PolarHBondContact SG-SG 2.64Å; D7-C28 PolarHBondContact N-SG 2.85Å; D24-C28 PolarHBondContact OD1-N 3.17Å; C26-C28 VanDerWaalsContact C-N 3.26Å
29	C	93.9	Very high	94.9	Very high	21 Å²	21	50.5 Å²	50.5	14%	0.142	31%	0.308	C	S	.	.	S	Bend	trans	-87.7	160.7	-178.7	-57.7	0	0	0	0	111.9	C11 P23 D24	C11-C29 WeakPolarHBondContact CA-SG 3.32Å; C11-C29 HydrophobicContact CB-CB 3.64Å; C11-C29 WeakPolarHBondContact CB-SG 3.28Å; C11-C29 WeakPolarHBondContact SG-CA 3.44Å; C11-C29 WeakPolarHBondContact SG-CB 3.46Å; C11-C29 CovalentContact SG-SG 2.04Å; C11-C29 PolarHBondContact SG-SG 3.05Å; P23-C29 CarbonylContact C-O 3.53Å; P23-C29 WeakPolarHBondContact CA-O 3.34Å; D24-C29 HydrophobicContact CB-CB 4.35Å; D24-C29 VanDerWaalsContact CG-N 3.33Å; D24-C29 PolarHBondContact N-O 2.78Å; D24-C29 VanDerWaalsContact OD2-CB 3.3Å; D24-C29 WeakPolarHBondContact OD2-CB 3.04Å; D24-C29 PolarHBondContact OD2-N 3.37Å
30	S	95.4	Very high	94.9	Very high	56 Å²	56	50 Å²	50	39%	0.392	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	140.5	168.5	-67	0	0	0	0	109.9	P14 V22	P14-S30 WeakPolarHBondContact CG-O 3.37Å; V22-S30 CarbonylContact O-C 3.6Å; V22-S30 WeakPolarHBondContact O-CA 3.29Å
31	E	95.1	Very high	94.9	Very high	96 Å²	96	49.4 Å²	49.4	45%	0.449	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.9	173.6	-67	-177.3	167.9	0	0	109.2	L21 V22 D24 G33	L21-E31 CarbonylContact C-O 3.51Å; L21-E31 VanDerWaalsContact CA-O 3.32Å; L21-E31 WeakPolarHBondContact CA-O 3.15Å; V22-E31 HydrophobicContact CG2-CB 4.45Å; V22-E31 PolarHBondContact N-O 2.77Å; V22-E31 PolarHBondContact O-N 2.77Å; D24-E31 HydrophobicContact CB-CG 4.05Å; E31-G33 PolarHBondContact O-N 3.03Å
32	C	96.8	Very high	94.6	Very high	55 Å²	55	48 Å²	48	37%	0.372	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.3	172.6	-63	0	0	0	0	109.9	C17	C17-C32 WeakPolarHBondContact CA-SG 3.25Å; C17-C32 HydrophobicContact CB-CB 3.69Å; C17-C32 WeakPolarHBondContact CB-SG 3.35Å; C17-C32 WeakPolarHBondContact SG-CA 3.13Å; C17-C32 WeakPolarHBondContact SG-CB 3.43Å; C17-C32 CovalentContact SG-SG 2.04Å; C17-C32 PolarHBondContact SG-SG 3.27Å
33	G	96.5	Very high	94.1	Very high	7 Å²	7	50.4 Å²	50.4	7%	0.072	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-71.3	153.1	172.1	0	0	0	0	0	112.3	A19 G20 E31	A19-G33 WeakPolarHBondContact CB-O 3.33Å; G20-G33 PolarHBondContact O-N 3.08Å; E31-G33 PolarHBondContact O-N 3.03Å
34	N	97.1	Very high	93.4	Very high	28 Å²	28	51.6 Å²	51.6	15%	0.15	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-68.9	138.5	175.6	-66.7	-15.8	0	0	0	110.9	Q38 V39 Y49 L51 G53 C65	N34-Q38 VanDerWaalsContact CA-OE1 3.32Å; N34-Q38 HydrophobicContact CB-CB 4.07Å; N34-V39 PolarHBondContact ND2-O 2.91Å; N34-Y49 PolarHBondContact ND2-O 2.88Å; N34-L51 PolarHBondContact N-O 3.47Å; N34-G53 PolarHBondContact O-N 2.84Å; N34-C65 VanDerWaalsContact CB-SG 3.58Å
35	L	97.3	Very high	93	Very high	39 Å²	39	59.5 Å²	59.5	20%	0.204	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-74.5	163.9	177.9	-74.4	163.5	0	0	0	112.1	R18 A19 G37 Q38 C65 E89	R18-L35 HydrophobicContact CB-CD2 4.02Å; A19-L35 HydrophobicContact CB-CD2 3.75Å; A19-L35 HydrophobicContact CB-CG 4.16Å; L35-G37 PolarHBondContact O-N 3.49Å; L35-Q38 HydrophobicContact CB-CG 4.23Å; L35-Q38 WeakPolarHBondContact O-CB 3.43Å; L35-Q38 PolarHBondContact O-N 3.17Å; L35-C65 VanDerWaalsContact O-CB 3.29Å; L35-C65 WeakPolarHBondContact O-CB 2.98Å; L35-E89 HydrophobicContact CD2-CG 4.3Å
36	E	97.1	Very high	92.7	Very high	34 Å²	34	53.4 Å²	53.4	16%	0.159	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	129.2	172	-170.5	172.2	-134.2	0	0	111.4	L56 C65 C67 N83 R86	E36-L56 HydrophobicContact CB-CD2 3.68Å; E36-L56 HydrophobicContact CG-CD2 4.22Å; E36-C65 WeakPolarHBondContact CA-O 3.35Å; E36-C67 WeakPolarHBondContact OE1-CB 3.47Å; E36-C67 PolarHBondContact OE1-N 3.23Å; E36-C67 VanDerWaalsContact OE1-N 3.16Å; E36-N83 VanDerWaalsContact CD-ND2 3.32Å; E36-N83 PolarHBondContact OE1-ND2 2.84Å; E36-N83 PolarHBondContact OE2-ND2 3.24Å; E36-R86 IonicContact OE2-CZ 3.23Å; E36-R86 IonicContact OE2-NE 3.79Å; E36-R86 PolarHBondContact OE2-NE 2.87Å; E36-R86 IonicContact OE2-NH2 3.86Å
37	G	96.3	Very high	92.5	Very high	52 Å²	52	59.2 Å²	59.2	54%	0.536	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-12.3	-177.6	0	0	0	0	0	114.8	L35 V64 C65	L35-G37 PolarHBondContact O-N 3.49Å; G37-V64 VanDerWaalsContact CA-CG1 3.48Å; G37-C65 PolarHBondContact N-O 3.25Å
38	Q	97.1	Very high	92.4	Very high	88 Å²	88	64.5 Å²	64.5	41%	0.411	36%	0.362	S	S	.	.	S	Bend	trans	-80.2	152.8	174.9	-68.1	-176.8	-26.7	0	0	112	N34 L35 V64 C65	N34-Q38 VanDerWaalsContact CA-OE1 3.32Å; N34-Q38 HydrophobicContact CB-CB 4.07Å; L35-Q38 HydrophobicContact CB-CG 4.23Å; L35-Q38 WeakPolarHBondContact O-CB 3.43Å; L35-Q38 PolarHBondContact O-N 3.17Å; Q38-V64 CarbonylContact O-C 3.55Å; Q38-V64 WeakPolarHBondContact O-CA 3.43Å; Q38-C65 PolarHBondContact O-N 2.82Å
39	V	96.6	Very high	92.3	Very high	70 Å²	70	69 Å²	69	42%	0.424	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-65.6	147.3	176.9	-169.7	0	0	0	0	109.8	N34 Y49 A63	N34-V39 PolarHBondContact ND2-O 2.91Å; V39-Y49 HydrophobicContact CB-CD1 4.13Å; V39-Y49 HydrophobicContact CB-CG 4.29Å; V39-Y49 HydrophobicContact CG1-CD1 3.65Å; V39-Y49 HydrophobicContact CG1-CD2 3.87Å; V39-Y49 HydrophobicContact CG1-CE1 4.02Å; V39-Y49 HydrophobicContact CG1-CE2 4.23Å; V39-Y49 HydrophobicContact CG1-CG 3.56Å; V39-A63 CarbonylContact C-O 3.58Å; V39-A63 VanDerWaalsContact CA-O 3.23Å; V39-A63 WeakPolarHBondContact CA-O 3.45Å; V39-A63 WeakPolarHBondContact CG1-O 3.12Å
40	C	96.5	Very high	92.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.375	C	S	.	.			trans	-146.5	159.8	-178.2	54.3	0	0	0	0	112.9	C52 C58 A63 C65	C40-C52 WeakPolarHBondContact CB-SG 3.47Å; C40-C58 HydrophobicContact CB-CB 3.83Å; C40-C58 WeakPolarHBondContact CB-SG 3.47Å; C40-C58 PolarHBondContact O-SG 2.74Å; C40-C58 VanDerWaalsContact O-SG 3.39Å; C40-C58 WeakPolarHBondContact SG-CA 3.45Å; C40-C58 WeakPolarHBondContact SG-CB 3.35Å; C40-C58 CovalentContact SG-SG 2.03Å; C40-C58 PolarHBondContact SG-SG 3.03Å; C40-A63 PolarHBondContact N-O 2.92Å; C40-A63 PolarHBondContact SG-O 2.83Å; C40-C65 WeakPolarHBondContact CB-SG 3.5Å; C40-C65 PolarHBondContact SG-N 3.29Å
41	D	94.3	Very high	92.3	Very high	10 Å²	10	66.9 Å²	66.9	5%	0.053	36%	0.361	C	S	.	.			trans	-86.4	125.1	170.6	-62.3	-52.2	0	0	0	110.4	R47 F48 Y49 G50	D41-R47 HydrophobicContact CB-CB 4.4Å; D41-R47 WeakPolarHBondContact OD2-CA 3.35Å; D41-R47 PolarHBondContact OD2-N 2.9Å; D41-F48 PolarHBondContact OD1-N 2.83Å; D41-F48 PolarHBondContact OD2-N 2.99Å; D41-Y49 VanDerWaalsContact CG-N 3.32Å; D41-Y49 WeakPolarHBondContact OD1-CD2 3.46Å; D41-Y49 PolarHBondContact OD1-N 3.05Å; D41-Y49 VanDerWaalsContact OD1-N 3.11Å; D41-Y49 PolarHBondContact OD2-N 2.81Å; D41-G50 PolarHBondContact N-O 2.81Å; D41-G50 PolarHBondContact OD2-N 2.87Å
42	P	90.7	Very high	92.4	Very high	59 Å²	59	63.1 Å²	63.1	38%	0.383	35%	0.345	S	S	.	.	S	Bend	trans	-64.1	137.3	173.1	-22.8	33.7	0	0	0	112.3
43	G	84.8	Confident	92.4	Very high	64 Å²	64	60.7 Å²	60.7	66%	0.66	33%	0.329	S	S	*	.	S	Bend	trans	105.6	-162	177.3	0	0	0	0	0	113.6
44	A	80.5	Confident	92.4	Very high	90 Å²	90	64.1 Å²	64.1	74%	0.744	35%	0.349	S	S	*	.	S	Bend	trans	-99.9	3.5	-170.9	0	0	0	0	0	114.7
45	R	82.6	Confident	92.3	Very high	189 Å²	189	63.7 Å²	63.7	71%	0.713	35%	0.351	S	S	*	.	S	Bend	trans	-134.1	130.9	-178.1	-70.1	-175.4	178.9	154	-0.5	111
46	A	84.9	Confident	92.3	Very high	10 Å²	10	62.6 Å²	62.6	8%	0.083	35%	0.346	C	S	.	.			trans	-60.7	134.2	170.6	0	0	0	0	0	110.3	R25 L51	R25-A46 HydrophobicContact CB-CB 4.45Å; R25-A46 WeakPolarHBondContact CG-O 3.47Å; A46-L51 HydrophobicContact CB-CG 4.13Å
47	R	85.3	Confident	92.2	Very high	186 Å²	186	66.3 Å²	66.3	70%	0.702	36%	0.358	S	S	*	.	S	Bend	trans	-119.3	-54.5	178.9	-63.2	-178.6	-178.4	178.7	1.2	111.1	D41	D41-R47 HydrophobicContact CB-CB 4.4Å; D41-R47 WeakPolarHBondContact OD2-CA 3.35Å; D41-R47 PolarHBondContact OD2-N 2.9Å
48	F	87.9	Confident	92.3	Very high	167 Å²	167	65.3 Å²	65.3	73%	0.732	34%	0.342	S	S	*	.	S	Bend	trans	-142.7	-53.5	-175.6	-172.2	-97	0	0	0	111.6	D41	D41-F48 PolarHBondContact OD1-N 2.83Å; D41-F48 PolarHBondContact OD2-N 2.99Å
49	Y	91.3	Very high	92.2	Very high	128 Å²	128	63.8 Å²	63.8	50%	0.502	34%	0.335	S	S	.	.	S	Bend	trans	-85.8	-16.5	-176.7	-60.1	-68.8	0	0	0	113.8	N34 V39 D41	N34-Y49 PolarHBondContact ND2-O 2.88Å; V39-Y49 HydrophobicContact CB-CD1 4.13Å; V39-Y49 HydrophobicContact CB-CG 4.29Å; V39-Y49 HydrophobicContact CG1-CD1 3.65Å; V39-Y49 HydrophobicContact CG1-CD2 3.87Å; V39-Y49 HydrophobicContact CG1-CE1 4.02Å; V39-Y49 HydrophobicContact CG1-CE2 4.23Å; V39-Y49 HydrophobicContact CG1-CG 3.56Å; D41-Y49 VanDerWaalsContact CG-N 3.32Å; D41-Y49 WeakPolarHBondContact OD1-CD2 3.46Å; D41-Y49 PolarHBondContact OD1-N 3.05Å; D41-Y49 VanDerWaalsContact OD1-N 3.11Å; D41-Y49 PolarHBondContact OD2-N 2.81Å
50	G	93.4	Very high	91.8	Very high	13 Å²	13	64.3 Å²	64.3	13%	0.134	35%	0.347	C	S	.	.			trans	94.1	176	-178.2	0	0	0	0	0	113.3	D41	D41-G50 PolarHBondContact N-O 2.81Å; D41-G50 PolarHBondContact OD2-N 2.87Å
51	L	96.6	Very high	91.4	Very high	20 Å²	20	69.7 Å²	69.7	11%	0.105	38%	0.375	C	S	.	.			trans	-96.8	149	-179.9	-64.9	177.6	0	0	0	111	V22 P23 N34 A46	V22-L51 HydrophobicContact CB-CB 4.03Å; V22-L51 HydrophobicContact CB-CD1 4.46Å; V22-L51 HydrophobicContact CG1-CB 4.1Å; V22-L51 HydrophobicContact CG2-CB 4.11Å; P23-L51 HydrophobicContact CG-CD1 4Å; N34-L51 PolarHBondContact N-O 3.47Å; A46-L51 HydrophobicContact CB-CG 4.13Å
52	C	97.4	Very high	91.3	Very high	16 Å²	16	77.8 Å²	77.8	11%	0.108	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-67.2	144.9	171.1	-60.1	0	0	0	0	111.5	V22 C40 L56 C65	V22-C52 VanDerWaalsContact CG1-O 3.24Å; V22-C52 WeakPolarHBondContact CG1-O 3.3Å; C40-C52 WeakPolarHBondContact CB-SG 3.47Å; C52-L56 HydrophobicContact CB-CB 3.68Å; C52-C65 WeakPolarHBondContact CA-SG 3.4Å; C52-C65 HydrophobicContact CB-CB 3.85Å; C52-C65 WeakPolarHBondContact CB-SG 3.49Å; C52-C65 WeakPolarHBondContact SG-CA 3.37Å; C52-C65 WeakPolarHBondContact SG-CB 3.35Å; C52-C65 CovalentContact SG-SG 2.04Å; C52-C65 PolarHBondContact SG-SG 2.89Å
53	G	96.6	Very high	91.5	Very high	4 Å²	4	76.3 Å²	76.3	4%	0.041	40%	0.398	C	S	.	.			trans	-66.6	-176.3	178.5	0	0	0	0	0	115.1	A19 N34 G55 L56	A19-G53 CarbonylContact O-C 3.53Å; A19-G53 WeakPolarHBondContact O-CA 3.39Å; N34-G53 PolarHBondContact O-N 2.84Å; G53-G55 PolarHBondContact O-N 3.5Å; G53-L56 WeakPolarHBondContact O-CB 3.5Å; G53-L56 PolarHBondContact O-N 2.79Å
54	T	95.6	Very high	92.1	Very high	80 Å²	80	75 Å²	75	49%	0.491	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	119.7	-176.6	-57.7	0	0	0	0	112.6	A19 L56 R88	A19-T54 PolarHBondContact O-N 2.99Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-R88 PolarHBondContact O-NH1 2.83Å
55	G	95.6	Very high	92.9	Very high	18 Å²	18	70.8 Å²	70.8	19%	0.186	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.1	-179.4	0	0	0	0	0	114.2	G53 E68 C85	G53-G55 PolarHBondContact O-N 3.5Å; G55-E68 WeakPolarHBondContact O-CB 3.18Å; G55-E68 WeakPolarHBondContact O-CG 3.27Å; G55-E68 PolarHBondContact O-N 3.28Å; G55-C85 PolarHBondContact O-SG 3.14Å; G55-C85 VanDerWaalsContact O-SG 3.38Å
56	L	97.3	Very high	93.6	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.089	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.3	171.8	-64.5	140.2	0	0	0	108.9	A19 E36 C52 G53 T54 C65 V66 C67 C85	A19-L56 HydrophobicContact CB-CD1 4.07Å; E36-L56 HydrophobicContact CB-CD2 3.68Å; E36-L56 HydrophobicContact CG-CD2 4.22Å; C52-L56 HydrophobicContact CB-CB 3.68Å; G53-L56 WeakPolarHBondContact O-CB 3.5Å; G53-L56 PolarHBondContact O-N 2.79Å; T54-L56 VanDerWaalsContact C-N 3.31Å; L56-C65 HydrophobicContact CB-CB 4.49Å; L56-C65 HydrophobicContact CD2-CB 4.41Å; L56-V66 WeakPolarHBondContact CA-O 3.26Å; L56-C67 HydrophobicContact CD2-CB 4.38Å; L56-C85 HydrophobicContact CD2-CB 4.13Å; L56-C85 HydrophobicContact CG-CB 4.43Å
57	R	95.9	Very high	94.2	Very high	112 Å²	112	62.3 Å²	62.3	42%	0.423	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150	171.4	69.4	-179.6	-175.5	-73.5	-1.8	110.4	Q59 C65 V66 C67 E68	R57-Q59 PolarHBondContact O-N 2.87Å; R57-C65 WeakPolarHBondContact O-CA 3.46Å; R57-V66 HydrophobicContact CG-CG2 3.62Å; R57-V66 PolarHBondContact N-O 2.97Å; R57-V66 PolarHBondContact O-N 3.19Å; R57-C67 PolarHBondContact NH1-O 3.15Å; R57-E68 HydrophobicContact CB-CG 4.13Å; R57-E68 HydrophobicContact CG-CG 4.23Å
58	C	96.9	Very high	94.7	Very high	30 Å²	30	58.7 Å²	58.7	20%	0.203	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.8	172.5	-167.5	0	0	0	0	110.1	C40 A60	C40-C58 HydrophobicContact CB-CB 3.83Å; C40-C58 WeakPolarHBondContact CB-SG 3.47Å; C40-C58 PolarHBondContact O-SG 2.74Å; C40-C58 VanDerWaalsContact O-SG 3.39Å; C40-C58 WeakPolarHBondContact SG-CA 3.45Å; C40-C58 WeakPolarHBondContact SG-CB 3.35Å; C40-C58 CovalentContact SG-SG 2.03Å; C40-C58 PolarHBondContact SG-SG 3.03Å; C58-A60 PolarHBondContact O-N 2.78Å
59	Q	95.7	Very high	95.1	Very high	57 Å²	57	55.9 Å²	55.9	27%	0.266	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.8	179	-151.5	-164	-29.6	0	0	109.6	R57 D61 R62 A63 V64 V66	R57-Q59 PolarHBondContact O-N 2.87Å; Q59-D61 VanDerWaalsContact C-N 3.35Å; Q59-D61 WeakPolarHBondContact CG-OD1 3.2Å; Q59-D61 PolarHBondContact NE2-OD1 3.45Å; Q59-D61 PolarHBondContact NE2-OD2 3.3Å; Q59-D61 VanDerWaalsContact NE2-OD2 3.14Å; Q59-D61 PolarHBondContact O-N 2.91Å; Q59-R62 PolarHBondContact O-N 3.23Å; Q59-A63 VanDerWaalsContact O-CA 3.26Å; Q59-A63 WeakPolarHBondContact O-CA 3.35Å; Q59-A63 PolarHBondContact O-N 2.87Å; Q59-V64 WeakPolarHBondContact CB-O 3.38Å; Q59-V64 PolarHBondContact N-O 2.84Å; Q59-V66 HydrophobicContact CB-CG1 4.09Å; Q59-V66 HydrophobicContact CB-CG2 3.98Å; Q59-V66 HydrophobicContact CG-CG2 4.3Å
60	A	87.4	Confident	95.1	Very high	80 Å²	80	53.8 Å²	53.8	66%	0.661	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-31.6	-166.2	0	0	0	0	0	115	C58	C58-A60 PolarHBondContact O-N 2.78Å
61	D	89.6	Confident	95.1	Very high	113 Å²	113	55.3 Å²	55.3	60%	0.604	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.6	179	61.1	-38.9	0	0	0	112.7	Q59	Q59-D61 VanDerWaalsContact C-N 3.35Å; Q59-D61 WeakPolarHBondContact CG-OD1 3.2Å; Q59-D61 PolarHBondContact NE2-OD1 3.45Å; Q59-D61 PolarHBondContact NE2-OD2 3.3Å; Q59-D61 VanDerWaalsContact NE2-OD2 3.14Å; Q59-D61 PolarHBondContact O-N 2.91Å
62	R	91.7	Very high	94.9	Very high	181 Å²	181	54.9 Å²	54.9	68%	0.683	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-12.8	-177	-64.2	177.1	-173.8	-153.9	-2.9	113.7	Q59 V64	Q59-R62 PolarHBondContact O-N 3.23Å; R62-V64 HydrophobicContact CB-CB 4.3Å; R62-V64 HydrophobicContact CB-CG2 4.32Å; R62-V64 WeakPolarHBondContact O-CG2 3.39Å; R62-V64 PolarHBondContact O-N 3Å
63	A	94.9	Very high	94.8	Very high	28 Å²	28	54.9 Å²	54.9	23%	0.231	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	41.9	-168.9	0	0	0	0	0	112.6	V39 C40 Q59	V39-A63 CarbonylContact C-O 3.58Å; V39-A63 VanDerWaalsContact CA-O 3.23Å; V39-A63 WeakPolarHBondContact CA-O 3.45Å; V39-A63 WeakPolarHBondContact CG1-O 3.12Å; C40-A63 PolarHBondContact N-O 2.92Å; C40-A63 PolarHBondContact SG-O 2.83Å; Q59-A63 VanDerWaalsContact O-CA 3.26Å; Q59-A63 WeakPolarHBondContact O-CA 3.35Å; Q59-A63 PolarHBondContact O-N 2.87Å
64	V	97.1	Very high	94.8	Very high	37 Å²	37	55.5 Å²	55.5	22%	0.224	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.9	-177.6	169.7	0	0	0	0	111.1	G37 Q38 Q59 R62 V66	G37-V64 VanDerWaalsContact CA-CG1 3.48Å; Q38-V64 CarbonylContact O-C 3.55Å; Q38-V64 WeakPolarHBondContact O-CA 3.43Å; Q59-V64 WeakPolarHBondContact CB-O 3.38Å; Q59-V64 PolarHBondContact N-O 2.84Å; R62-V64 HydrophobicContact CB-CB 4.3Å; R62-V64 HydrophobicContact CB-CG2 4.32Å; R62-V64 WeakPolarHBondContact O-CG2 3.39Å; R62-V64 PolarHBondContact O-N 3Å; V64-V66 PolarHBondContact O-N 2.81Å
65	C	97.6	Very high	94.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.3	174.4	-65.8	0	0	0	0	111.3	N34 L35 E36 G37 Q38 C40 C52 L56 R57	N34-C65 VanDerWaalsContact CB-SG 3.58Å; L35-C65 VanDerWaalsContact O-CB 3.29Å; L35-C65 WeakPolarHBondContact O-CB 2.98Å; E36-C65 WeakPolarHBondContact CA-O 3.35Å; G37-C65 PolarHBondContact N-O 3.25Å; Q38-C65 PolarHBondContact O-N 2.82Å; C40-C65 WeakPolarHBondContact CB-SG 3.5Å; C40-C65 PolarHBondContact SG-N 3.29Å; C52-C65 WeakPolarHBondContact CA-SG 3.4Å; C52-C65 HydrophobicContact CB-CB 3.85Å; C52-C65 WeakPolarHBondContact CB-SG 3.49Å; C52-C65 WeakPolarHBondContact SG-CA 3.37Å; C52-C65 WeakPolarHBondContact SG-CB 3.35Å; C52-C65 CovalentContact SG-SG 2.04Å; C52-C65 PolarHBondContact SG-SG 2.89Å; L56-C65 HydrophobicContact CB-CB 4.49Å; L56-C65 HydrophobicContact CD2-CB 4.41Å; R57-C65 WeakPolarHBondContact O-CA 3.46Å
66	V	96.8	Very high	95	Very high	21 Å²	21	54.1 Å²	54.1	13%	0.127	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.4	178.1	-63.7	0	0	0	0	110.5	L56 R57 Q59 V64 E68	L56-V66 WeakPolarHBondContact CA-O 3.26Å; R57-V66 HydrophobicContact CG-CG2 3.62Å; R57-V66 PolarHBondContact N-O 2.97Å; R57-V66 PolarHBondContact O-N 3.19Å; Q59-V66 HydrophobicContact CB-CG1 4.09Å; Q59-V66 HydrophobicContact CB-CG2 3.98Å; Q59-V66 HydrophobicContact CG-CG2 4.3Å; V64-V66 PolarHBondContact O-N 2.81Å; V66-E68 PolarHBondContact O-N 2.88Å
67	C	97.3	Very high	94.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.5	178.9	-163.6	0	0	0	0	110.8	E36 L56 R57 Q70 N83 C85	E36-C67 WeakPolarHBondContact OE1-CB 3.47Å; E36-C67 PolarHBondContact OE1-N 3.23Å; E36-C67 VanDerWaalsContact OE1-N 3.16Å; L56-C67 HydrophobicContact CD2-CB 4.38Å; R57-C67 PolarHBondContact NH1-O 3.15Å; C67-Q70 PolarHBondContact O-NE2 2.96Å; C67-N83 HydrophobicContact CB-CB 4.22Å; C67-C85 WeakPolarHBondContact CA-SG 3.4Å; C67-C85 HydrophobicContact CB-CB 3.72Å; C67-C85 WeakPolarHBondContact CB-SG 3.3Å; C67-C85 WeakPolarHBondContact SG-CB 3.07Å; C67-C85 PolarHBondContact SG-N 2.93Å; C67-C85 CovalentContact SG-SG 2.04Å; C67-C85 PolarHBondContact SG-SG 3.23Å
68	E	96.3	Very high	94.9	Very high	111 Å²	111	54 Å²	54	52%	0.519	31%	0.314	S	S	.	.	S	Bend	trans	-74.7	-35.9	174.4	-64.8	-174.8	141.3	0	0	111.5	G55 R57 V66 Q70	G55-E68 WeakPolarHBondContact O-CB 3.18Å; G55-E68 WeakPolarHBondContact O-CG 3.27Å; G55-E68 PolarHBondContact O-N 3.28Å; R57-E68 HydrophobicContact CB-CG 4.13Å; R57-E68 HydrophobicContact CG-CG 4.23Å; V66-E68 PolarHBondContact O-N 2.88Å; E68-Q70 PolarHBondContact O-N 2.78Å
69	Q	95.3	Very high	94.7	Very high	107 Å²	107	55.6 Å²	55.6	50%	0.5	32%	0.323	S	S	.	.			trans	-102	83.4	-178.6	-66.9	-172.8	52.7	0	0	110.9	G71 N83 L84	Q69-G71 PolarHBondContact O-N 3.31Å; Q69-G71 VanDerWaalsContact O-N 3.16Å; Q69-N83 VanDerWaalsContact O-CB 3.32Å; Q69-N83 WeakPolarHBondContact O-CB 3.47Å; Q69-L84 HydrophobicContact CB-CB 3.87Å; Q69-L84 HydrophobicContact CB-CD2 4.28Å; Q69-L84 VanDerWaalsContact CD-CD2 3.47Å; Q69-L84 HydrophobicContact CG-CD2 4.42Å; Q69-L84 PolarHBondContact O-N 3.34Å; Q69-L84 VanDerWaalsContact O-N 3.17Å
70	Q	92.8	Very high	94.6	Very high	84 Å²	84	54.4 Å²	54.4	39%	0.393	32%	0.319	S	S	.	.			trans	-74	5.7	-178.9	-64.6	-69.2	-8.6	0	0	114	C67 E68 R168	C67-Q70 PolarHBondContact O-NE2 2.96Å; E68-Q70 PolarHBondContact O-N 2.78Å; Q70-R168 PolarHBondContact O-NH1 3.15Å
71	G	92.3	Very high	95	Very high	46 Å²	46	51.9 Å²	51.9	47%	0.474	29%	0.293	S	S	.	.			trans	-74.3	129.4	178.4	0	0	0	0	0	111.4	Q69 N83	Q69-G71 PolarHBondContact O-N 3.31Å; Q69-G71 VanDerWaalsContact O-N 3.16Å; G71-N83 WeakPolarHBondContact O-CA 3.42Å
72	A	93.8	Very high	95.1	Very high	10 Å²	10	50.8 Å²	50.8	8%	0.083	29%	0.287	C	S	.	.			trans	-68.6	152.3	173.3	0	0	0	0	0	111	Y81 L82 G103 F169	A72-Y81 CarbonylContact C-O 3.46Å; A72-Y81 WeakPolarHBondContact CA-O 3.4Å; A72-Y81 WeakPolarHBondContact CB-O 3.34Å; A72-L82 WeakPolarHBondContact CA-O 3.23Å; A72-L82 PolarHBondContact N-O 3.18Å; A72-G103 CarbonylContact O-C 3.55Å; A72-G103 WeakPolarHBondContact O-CA 3.33Å; A72-G103 PolarHBondContact O-N 2.04Å; A72-F169 HydrophobicContact CB-CE2 3.49Å; A72-F169 VanDerWaalsContact CB-CE2 3.49Å; A72-F169 HydrophobicContact CB-CZ 3.73Å
73	L	95.3	Very high	95.3	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.084	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.8	177.4	64.3	153.2	0	0	0	111.4	Y81 L84 F87 T99 G103	L73-Y81 PolarHBondContact N-O 3.32Å; L73-Y81 PolarHBondContact O-N 2.85Å; L73-L84 HydrophobicContact CD1-CD1 4.39Å; L73-F87 HydrophobicContact CD1-CB 3.79Å; L73-F87 HydrophobicContact CD1-CD1 4.03Å; L73-F87 HydrophobicContact CD1-CD2 3.66Å; L73-F87 HydrophobicContact CD1-CE2 4.26Å; L73-F87 HydrophobicContact CD1-CG 3.54Å; L73-F87 HydrophobicContact CD2-CB 3.97Å; L73-F87 HydrophobicContact CG-CB 4.15Å; L73-F87 HydrophobicContact CG-CD2 4.37Å; L73-F87 HydrophobicContact CG-CG 4.34Å; L73-T99 HydrophobicContact CD1-CG2 3.53Å; L73-G103 CarbonylContact C-O 3.49Å; L73-G103 WeakPolarHBondContact CA-O 3.47Å
74	C	96.4	Very high	95.4	Very high	18 Å²	18	42.6 Å²	42.6	12%	0.122	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.6	176.5	-175.3	0	0	0	0	109.2	A100 G101 G103 C105	C74-A100 HydrophobicContact CB-CB 4.43Å; C74-A100 PolarHBondContact O-N 3.26Å; C74-G101 PolarHBondContact N-O 2.77Å; C74-G101 PolarHBondContact O-N 2.86Å; C74-G103 PolarHBondContact N-O 2.91Å; C74-C105 WeakPolarHBondContact CA-SG 3.23Å; C74-C105 HydrophobicContact CB-CB 3.98Å; C74-C105 WeakPolarHBondContact CB-SG 3.35Å; C74-C105 WeakPolarHBondContact SG-CA 3.25Å; C74-C105 WeakPolarHBondContact SG-CB 3.31Å; C74-C105 CovalentContact SG-SG 2.04Å; C74-C105 PolarHBondContact SG-SG 2.85Å
75	G	97.6	Very high	95.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	159.2	171.7	0	0	0	0	0	112.1	D77 G78 T79 R98 A100	G75-D77 WeakPolarHBondContact CA-OD1 3.28Å; G75-D77 PolarHBondContact O-N 3.42Å; G75-G78 PolarHBondContact O-N 2.86Å; G75-T79 PolarHBondContact N-O 2.91Å; G75-R98 CarbonylContact C-O 3.55Å; G75-R98 WeakPolarHBondContact CA-O 3.11Å; G75-A100 WeakPolarHBondContact O-CB 3.43Å
76	S	97.3	Very high	95.3	Very high	68 Å²	68	46.1 Å²	46.1	48%	0.476	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.9	172.3	55.4	0	0	0	0	113.4	G78 R98	S76-G78 VanDerWaalsContact C-N 3.28Å; S76-R98 PolarHBondContact N-O 3.39Å; S76-R98 PolarHBondContact OG-N 2.89Å; S76-R98 PolarHBondContact OG-O 2.79Å
77	D	95.9	Very high	95.3	Very high	74 Å²	74	46 Å²	46	40%	0.396	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-0.7	173.1	68.8	-24.7	0	0	0	113.2	G75 T79 Y81 L97	G75-D77 WeakPolarHBondContact CA-OD1 3.28Å; G75-D77 PolarHBondContact O-N 3.42Å; D77-T79 VanDerWaalsContact CG-OG1 3.26Å; D77-T79 PolarHBondContact O-N 2.85Å; D77-T79 WeakPolarHBondContact OD1-CB 3.39Å; D77-T79 PolarHBondContact OD1-N 2.85Å; D77-T79 WeakPolarHBondContact OD2-CB 3.11Å; D77-T79 PolarHBondContact OD2-OG1 3.4Å; D77-Y81 PolarHBondContact OD2-OH 2.04Å; D77-L97 HydrophobicContact CB-CD1 3.94Å
78	G	94.4	Very high	95.3	Very high	52 Å²	52	50.5 Å²	50.5	54%	0.536	28%	0.278	S	S	.	.	S	Bend	trans	77.5	4.9	-175.1	0	0	0	0	0	113.8	G75 S76 C105	G75-G78 PolarHBondContact O-N 2.86Å; S76-G78 VanDerWaalsContact C-N 3.28Å; G78-C105 PolarHBondContact O-SG 3Å
79	T	94.1	Very high	95.3	Very high	63 Å²	63	46.9 Å²	46.9	39%	0.387	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-83.8	134	177	-57.9	0	0	0	0	110.7	G75 D77 Y81 C105	G75-T79 PolarHBondContact N-O 2.91Å; D77-T79 VanDerWaalsContact CG-OG1 3.26Å; D77-T79 PolarHBondContact O-N 2.85Å; D77-T79 WeakPolarHBondContact OD1-CB 3.39Å; D77-T79 PolarHBondContact OD1-N 2.85Å; D77-T79 WeakPolarHBondContact OD2-CB 3.11Å; D77-T79 PolarHBondContact OD2-OG1 3.4Å; T79-Y81 HydrophobicContact CG2-CD2 4.44Å; T79-Y81 HydrophobicContact CG2-CE1 4.32Å; T79-Y81 HydrophobicContact CG2-CE2 4.05Å; T79-Y81 WeakPolarHBondContact O-CD2 3.44Å; T79-C105 PolarHBondContact O-SG 3.34Å
80	T	93.6	Very high	95.3	Very high	32 Å²	32	43.1 Å²	43.1	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.5	168.4	-67.7	0	0	0	0	109.8	P104 C105	T80-P104 HydrophobicContact CG2-CB 3.35Å; T80-C105 PolarHBondContact OG1-N 2.91Å
81	Y	95	Very high	95.5	Very high	28 Å²	28	40.4 Å²	40.4	11%	0.11	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127	171.6	-63.2	-88.8	0	0	0	109.6	A72 L73 D77 T79 N83 R86 F87 A90 L97	A72-Y81 CarbonylContact C-O 3.46Å; A72-Y81 WeakPolarHBondContact CA-O 3.4Å; A72-Y81 WeakPolarHBondContact CB-O 3.34Å; L73-Y81 PolarHBondContact N-O 3.32Å; L73-Y81 PolarHBondContact O-N 2.85Å; D77-Y81 PolarHBondContact OD2-OH 2.04Å; T79-Y81 HydrophobicContact CG2-CD2 4.44Å; T79-Y81 HydrophobicContact CG2-CE1 4.32Å; T79-Y81 HydrophobicContact CG2-CE2 4.05Å; T79-Y81 WeakPolarHBondContact O-CD2 3.44Å; Y81-N83 PolarHBondContact O-N 2.83Å; Y81-R86 HydrophobicContact CD1-CB 4.3Å; Y81-F87 HydrophobicContact CD1-CB 4.19Å; Y81-F87 HydrophobicContact CD2-CB 4.31Å; Y81-F87 AromaticContact CD2-CD2 3.65Å; Y81-F87 HydrophobicContact CD2-CD2 3.65Å; Y81-F87 HydrophobicContact CD2-CG 4.48Å; Y81-F87 AromaticContact CE2-CD2 3.83Å; Y81-F87 HydrophobicContact CE2-CD2 3.83Å; Y81-F87 HydrophobicContact CE2-CE2 4.42Å; Y81-F87 HydrophobicContact CG-CB 3.87Å; Y81-F87 HydrophobicContact CG-CD2 4.08Å; Y81-F87 HydrophobicContact CG-CG 4.5Å; Y81-A90 HydrophobicContact CD1-CB 4.43Å; Y81-A90 HydrophobicContact CE1-CB 3.44Å; Y81-A90 VanDerWaalsContact CE1-CB 3.44Å; Y81-L97 HydrophobicContact CE2-CD1 4.39Å; Y81-L97 HydrophobicContact CE2-CD2 4.19Å; Y81-L97 VanDerWaalsContact OH-CD2 3.23Å; Y81-L97 WeakPolarHBondContact OH-CD2 3.41Å
82	L	92.6	Very high	95.6	Very high	90 Å²	90	43.1 Å²	43.1	47%	0.471	24%	0.239	S	C	.	.	S	Bend	trans	-66	-27	-172.7	-63.9	179.9	0	0	0	113.7	A72	A72-L82 WeakPolarHBondContact CA-O 3.23Å; A72-L82 PolarHBondContact N-O 3.18Å
83	N	95.2	Very high	95.7	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.032	26%	0.26	C	S	.	.	S	Bend	trans	-155	169	178.5	65.7	50.7	0	0	0	110.2	E36 C67 Q69 G71 Y81 C85 R86 F87	E36-N83 VanDerWaalsContact CD-ND2 3.32Å; E36-N83 PolarHBondContact OE1-ND2 2.84Å; E36-N83 PolarHBondContact OE2-ND2 3.24Å; C67-N83 HydrophobicContact CB-CB 4.22Å; Q69-N83 VanDerWaalsContact O-CB 3.32Å; Q69-N83 WeakPolarHBondContact O-CB 3.47Å; G71-N83 WeakPolarHBondContact O-CA 3.42Å; Y81-N83 PolarHBondContact O-N 2.83Å; N83-C85 VanDerWaalsContact C-N 3.28Å; N83-C85 PolarHBondContact O-N 3.06Å; N83-C85 WeakPolarHBondContact OD1-CA 3.02Å; N83-C85 WeakPolarHBondContact OD1-CB 3.33Å; N83-C85 PolarHBondContact OD1-N 2.83Å; N83-R86 PolarHBondContact O-N 3.28Å; N83-R86 WeakPolarHBondContact OD1-CG 3.48Å; N83-R86 PolarHBondContact OD1-N 3.02Å; N83-F87 PolarHBondContact O-N 3.39Å
84	L	96.1	Very high	95.8	Very high	30 Å²	30	48.9 Å²	48.9	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-30.9	-177.5	-176.1	60.8	0	0	0	113.2	Q69 L73 F87 R88	Q69-L84 HydrophobicContact CB-CB 3.87Å; Q69-L84 HydrophobicContact CB-CD2 4.28Å; Q69-L84 VanDerWaalsContact CD-CD2 3.47Å; Q69-L84 HydrophobicContact CG-CD2 4.42Å; Q69-L84 PolarHBondContact O-N 3.34Å; Q69-L84 VanDerWaalsContact O-N 3.17Å; L73-L84 HydrophobicContact CD1-CD1 4.39Å; L84-F87 HydrophobicContact CD1-CD1 4.27Å; L84-F87 PolarHBondContact O-N 2.95Å; L84-R88 HydrophobicContact CD1-CG 4.45Å; L84-R88 HydrophobicContact CG-CG 4.37Å; L84-R88 WeakPolarHBondContact O-CG 3.31Å; L84-R88 PolarHBondContact O-N 2.64Å
85	C	97.1	Very high	95.7	Very high	12 Å²	12	52.4 Å²	52.4	8%	0.081	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-39.4	-178	-55.7	0	0	0	0	111.1	G55 L56 C67 N83 R88 E89	G55-C85 PolarHBondContact O-SG 3.14Å; G55-C85 VanDerWaalsContact O-SG 3.38Å; L56-C85 HydrophobicContact CD2-CB 4.13Å; L56-C85 HydrophobicContact CG-CB 4.43Å; C67-C85 WeakPolarHBondContact CA-SG 3.4Å; C67-C85 HydrophobicContact CB-CB 3.72Å; C67-C85 WeakPolarHBondContact CB-SG 3.3Å; C67-C85 WeakPolarHBondContact SG-CB 3.07Å; C67-C85 PolarHBondContact SG-N 2.93Å; C67-C85 CovalentContact SG-SG 2.04Å; C67-C85 PolarHBondContact SG-SG 3.23Å; N83-C85 VanDerWaalsContact C-N 3.28Å; N83-C85 PolarHBondContact O-N 3.06Å; N83-C85 WeakPolarHBondContact OD1-CA 3.02Å; N83-C85 WeakPolarHBondContact OD1-CB 3.33Å; N83-C85 PolarHBondContact OD1-N 2.83Å; C85-R88 PolarHBondContact O-N 2.8Å; C85-E89 WeakPolarHBondContact O-CB 3.24Å; C85-E89 PolarHBondContact O-N 2.97Å
86	R	96.4	Very high	95.7	Very high	100 Å²	100	59 Å²	59	38%	0.377	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-40.3	172.7	-65.6	-62.9	174.5	177.4	6.8	112.8	E36 Y81 N83 E89 A90	E36-R86 IonicContact OE2-CZ 3.23Å; E36-R86 IonicContact OE2-NE 3.79Å; E36-R86 PolarHBondContact OE2-NE 2.87Å; E36-R86 IonicContact OE2-NH2 3.86Å; Y81-R86 HydrophobicContact CD1-CB 4.3Å; N83-R86 PolarHBondContact O-N 3.28Å; N83-R86 WeakPolarHBondContact OD1-CG 3.48Å; N83-R86 PolarHBondContact OD1-N 3.02Å; R86-E89 IonicContact NH1-OE2 3.7Å; R86-E89 PolarHBondContact NH1-OE2 3.13Å; R86-A90 PolarHBondContact O-N 2.96Å; R86-A90 VanDerWaalsContact O-N 3.14Å
87	F	97.2	Very high	95.7	Very high	17 Å²	17	56 Å²	56	8%	0.075	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-45.8	174.1	175.6	-91.7	0	0	0	111.7	L73 Y81 N83 L84 E89 A90 A91 L97 R98 T99	L73-F87 HydrophobicContact CD1-CB 3.79Å; L73-F87 HydrophobicContact CD1-CD1 4.03Å; L73-F87 HydrophobicContact CD1-CD2 3.66Å; L73-F87 HydrophobicContact CD1-CE2 4.26Å; L73-F87 HydrophobicContact CD1-CG 3.54Å; L73-F87 HydrophobicContact CD2-CB 3.97Å; L73-F87 HydrophobicContact CG-CB 4.15Å; L73-F87 HydrophobicContact CG-CD2 4.37Å; L73-F87 HydrophobicContact CG-CG 4.34Å; Y81-F87 HydrophobicContact CD1-CB 4.19Å; Y81-F87 HydrophobicContact CD2-CB 4.31Å; Y81-F87 AromaticContact CD2-CD2 3.65Å; Y81-F87 HydrophobicContact CD2-CD2 3.65Å; Y81-F87 HydrophobicContact CD2-CG 4.48Å; Y81-F87 AromaticContact CE2-CD2 3.83Å; Y81-F87 HydrophobicContact CE2-CD2 3.83Å; Y81-F87 HydrophobicContact CE2-CE2 4.42Å; Y81-F87 HydrophobicContact CG-CB 3.87Å; Y81-F87 HydrophobicContact CG-CD2 4.08Å; Y81-F87 HydrophobicContact CG-CG 4.5Å; N83-F87 PolarHBondContact O-N 3.39Å; L84-F87 HydrophobicContact CD1-CD1 4.27Å; L84-F87 PolarHBondContact O-N 2.95Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-E89 PolarHBondContact O-N 2.9Å; F87-A90 PolarHBondContact O-N 3.15Å; F87-A91 HydrophobicContact CD1-CB 4.46Å; F87-A91 HydrophobicContact CE1-CB 4.08Å; F87-A91 HydrophobicContact CZ-CB 4.37Å; F87-A91 WeakPolarHBondContact O-CB 3.39Å; F87-A91 PolarHBondContact O-N 2.96Å; F87-L97 HydrophobicContact CD2-CD2 4.12Å; F87-L97 HydrophobicContact CD2-CG 4.39Å; F87-L97 HydrophobicContact CE2-CD1 4.18Å; F87-L97 HydrophobicContact CE2-CD2 3.84Å; F87-L97 HydrophobicContact CE2-CG 3.63Å; F87-L97 HydrophobicContact CZ-CD2 4.37Å; F87-L97 HydrophobicContact CZ-CG 4Å; F87-R98 WeakPolarHBondContact CE2-O 3.4Å; F87-R98 VanDerWaalsContact CZ-C 3.46Å; F87-T99 HydrophobicContact CD1-CG2 4.27Å; F87-T99 HydrophobicContact CE1-CG2 3.71Å; F87-T99 HydrophobicContact CE2-CG2 4.04Å; F87-T99 HydrophobicContact CZ-CG2 3.59Å
88	R	96.1	Very high	95.7	Very high	95 Å²	95	58.8 Å²	58.8	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-40.4	178.7	-75.6	174.7	175.4	169.2	-1.8	112.6	T54 L84 C85 A90 A91 F92	T54-R88 PolarHBondContact O-NH1 2.83Å; L84-R88 HydrophobicContact CD1-CG 4.45Å; L84-R88 HydrophobicContact CG-CG 4.37Å; L84-R88 WeakPolarHBondContact O-CG 3.31Å; L84-R88 PolarHBondContact O-N 2.64Å; C85-R88 PolarHBondContact O-N 2.8Å; R88-A90 VanDerWaalsContact C-N 3.33Å; R88-A90 PolarHBondContact O-N 3.01Å; R88-A91 PolarHBondContact O-N 3.25Å; R88-F92 WeakPolarHBondContact O-CB 3.32Å; R88-F92 PolarHBondContact O-N 2.84Å
89	E	96.2	Very high	95.9	Very high	36 Å²	36	60.5 Å²	60.5	17%	0.168	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-44.5	175.3	-179.5	178.8	-171.8	0	0	111.4	R18 L35 C85 R86 F87 S93	R18-E89 HydrophobicContact CB-CG 4.2Å; L35-E89 HydrophobicContact CD2-CG 4.3Å; C85-E89 WeakPolarHBondContact O-CB 3.24Å; C85-E89 PolarHBondContact O-N 2.97Å; R86-E89 IonicContact NH1-OE2 3.7Å; R86-E89 PolarHBondContact NH1-OE2 3.13Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-E89 PolarHBondContact O-N 2.9Å; E89-S93 PolarHBondContact O-OG 2.81Å
90	A	96.8	Very high	96	Very high	27 Å²	27	60.8 Å²	60.8	22%	0.223	32%	0.32	C	S	.	.	H	α-helix	trans	-67.8	-44.5	175.8	0	0	0	0	0	112.1	Y81 R86 F87 R88 F92 S93 D94 L97	Y81-A90 HydrophobicContact CD1-CB 4.43Å; Y81-A90 HydrophobicContact CE1-CB 3.44Å; Y81-A90 VanDerWaalsContact CE1-CB 3.44Å; R86-A90 PolarHBondContact O-N 2.96Å; R86-A90 VanDerWaalsContact O-N 3.14Å; F87-A90 PolarHBondContact O-N 3.15Å; R88-A90 VanDerWaalsContact C-N 3.33Å; R88-A90 PolarHBondContact O-N 3.01Å; A90-F92 PolarHBondContact O-N 2.65Å; A90-S93 CarbonylContact O-C 3.35Å; A90-S93 WeakPolarHBondContact O-CA 3.39Å; A90-S93 WeakPolarHBondContact O-CB 3.29Å; A90-S93 PolarHBondContact O-N 2.85Å; A90-D94 PolarHBondContact O-N 2.87Å; A90-L97 HydrophobicContact CB-CD2 3.71Å
91	A	96.4	Very high	96	Very high	27 Å²	27	60.8 Å²	60.8	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-24.1	179.3	0	0	0	0	0	113.1	F87 R88 S93 D94 L97	F87-A91 HydrophobicContact CD1-CB 4.46Å; F87-A91 HydrophobicContact CE1-CB 4.08Å; F87-A91 HydrophobicContact CZ-CB 4.37Å; F87-A91 WeakPolarHBondContact O-CB 3.39Å; F87-A91 PolarHBondContact O-N 2.96Å; R88-A91 PolarHBondContact O-N 3.25Å; A91-S93 VanDerWaalsContact C-N 3.27Å; A91-D94 CarbonylContact C-O 3.55Å; A91-D94 CarbonylContact O-C 3.56Å; A91-L97 HydrophobicContact CB-CB 4.31Å; A91-L97 HydrophobicContact CB-CD2 4.1Å; A91-L97 HydrophobicContact CB-CG 4.48Å
92	F	95.3	Very high	95.8	Very high	104 Å²	104	71.3 Å²	71.3	46%	0.456	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-35.9	168.5	179.8	-85.8	0	0	0	111.5	R18 R88 A90	R18-F92 HydrophobicContact CB-CD1 4.37Å; R18-F92 HydrophobicContact CG-CD1 3.59Å; R18-F92 HydrophobicContact CG-CE1 3.97Å; R18-F92 HydrophobicContact CG-CG 4.19Å; R88-F92 WeakPolarHBondContact O-CB 3.32Å; R88-F92 PolarHBondContact O-N 2.84Å; A90-F92 PolarHBondContact O-N 2.65Å
93	S	94.5	Very high	95.7	Very high	76 Å²	76	68 Å²	68	53%	0.531	35%	0.353	S	S	.	.	H	α-helix	trans	-85.8	-24	-179.3	-51.8	0	0	0	0	112.4	E89 A90 A91	E89-S93 PolarHBondContact O-OG 2.81Å; A90-S93 CarbonylContact O-C 3.35Å; A90-S93 WeakPolarHBondContact O-CA 3.39Å; A90-S93 WeakPolarHBondContact O-CB 3.29Å; A90-S93 PolarHBondContact O-N 2.85Å; A91-S93 VanDerWaalsContact C-N 3.27Å
94	D	96.9	Very high	95.5	Very high	70 Å²	70	68 Å²	68	37%	0.374	35%	0.354	S	S	.	.			trans	-127.5	99.5	178.1	-178.9	-0	0	0	0	111	A90 A91 E96 L97	A90-D94 PolarHBondContact O-N 2.87Å; A91-D94 CarbonylContact C-O 3.55Å; A91-D94 CarbonylContact O-C 3.56Å; D94-E96 PolarHBondContact O-N 3.37Å; D94-E96 VanDerWaalsContact O-N 3.13Å; D94-E96 PolarHBondContact OD1-N 3.23Å; D94-L97 HydrophobicContact CB-CB 4.12Å; D94-L97 WeakPolarHBondContact O-CB 3.43Å; D94-L97 PolarHBondContact O-N 3.28Å; D94-L97 VanDerWaalsContact O-N 3.15Å
95	P	94.9	Very high	95.4	Very high	92 Å²	92	66.9 Å²	66.9	60%	0.597	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.2	179.5	-23.1	34.2	0	0	0	115.2	R98	P95-R98 PolarHBondContact O-NH1 3.25Å; P95-R98 PolarHBondContact O-NH2 2.91Å
96	E	97.1	Very high	95.3	Very high	141 Å²	141	73.3 Å²	73.3	66%	0.659	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-11.9	177.7	-65.7	-54.2	121.1	0	0	112.7	D94 R98	D94-E96 PolarHBondContact O-N 3.37Å; D94-E96 VanDerWaalsContact O-N 3.13Å; D94-E96 PolarHBondContact OD1-N 3.23Å; E96-R98 PolarHBondContact O-N 2.82Å
97	L	97.7	Very high	95.2	Very high	5 Å²	5	70.5 Å²	70.5	3%	0.026	37%	0.365	C	S	.	.			trans	-64.8	122.7	178.3	-174.6	64.9	0	0	0	110.9	D77 Y81 F87 A90 A91 D94	D77-L97 HydrophobicContact CB-CD1 3.94Å; Y81-L97 HydrophobicContact CE2-CD1 4.39Å; Y81-L97 HydrophobicContact CE2-CD2 4.19Å; Y81-L97 VanDerWaalsContact OH-CD2 3.23Å; Y81-L97 WeakPolarHBondContact OH-CD2 3.41Å; F87-L97 HydrophobicContact CD2-CD2 4.12Å; F87-L97 HydrophobicContact CD2-CG 4.39Å; F87-L97 HydrophobicContact CE2-CD1 4.18Å; F87-L97 HydrophobicContact CE2-CD2 3.84Å; F87-L97 HydrophobicContact CE2-CG 3.63Å; F87-L97 HydrophobicContact CZ-CD2 4.37Å; F87-L97 HydrophobicContact CZ-CG 4Å; A90-L97 HydrophobicContact CB-CD2 3.71Å; A91-L97 HydrophobicContact CB-CB 4.31Å; A91-L97 HydrophobicContact CB-CD2 4.1Å; A91-L97 HydrophobicContact CB-CG 4.48Å; D94-L97 HydrophobicContact CB-CB 4.12Å; D94-L97 WeakPolarHBondContact O-CB 3.43Å; D94-L97 PolarHBondContact O-N 3.28Å; D94-L97 VanDerWaalsContact O-N 3.15Å
98	R	97.2	Very high	95.1	Very high	131 Å²	131	71.6 Å²	71.6	49%	0.494	38%	0.377	S	S	.	.			trans	-123.4	164.8	176.8	-58.2	-65.2	172.7	-92.7	-7.4	110.2	G75 S76 F87 P95 E96	G75-R98 CarbonylContact C-O 3.55Å; G75-R98 WeakPolarHBondContact CA-O 3.11Å; S76-R98 PolarHBondContact N-O 3.39Å; S76-R98 PolarHBondContact OG-N 2.89Å; S76-R98 PolarHBondContact OG-O 2.79Å; F87-R98 WeakPolarHBondContact CE2-O 3.4Å; F87-R98 VanDerWaalsContact CZ-C 3.46Å; P95-R98 PolarHBondContact O-NH1 3.25Å; P95-R98 PolarHBondContact O-NH2 2.91Å; E96-R98 PolarHBondContact O-N 2.82Å
99	T	96.9	Very high	95.2	Very high	89 Å²	89	67.4 Å²	67.4	55%	0.546	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.3	171.3	57.2	0	0	0	0	109.2	L73 F87	L73-T99 HydrophobicContact CD1-CG2 3.53Å; F87-T99 HydrophobicContact CD1-CG2 4.27Å; F87-T99 HydrophobicContact CE1-CG2 3.71Å; F87-T99 HydrophobicContact CE2-CG2 4.04Å; F87-T99 HydrophobicContact CZ-CG2 3.59Å
100	A	96.7	Very high	95.2	Very high	68 Å²	68	68.6 Å²	68.6	56%	0.562	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	-26.8	176.1	0	0	0	0	0	112.5	C74 G75	C74-A100 HydrophobicContact CB-CB 4.43Å; C74-A100 PolarHBondContact O-N 3.26Å; G75-A100 WeakPolarHBondContact O-CB 3.43Å
101	G	93.8	Very high	95.2	Very high	32 Å²	32	68.9 Å²	68.9	33%	0.33	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	164	-179.5	0	0	0	0	0	114.2	C74	C74-G101 PolarHBondContact N-O 2.77Å; C74-G101 PolarHBondContact O-N 2.86Å
102	R	90.8	Very high	95.2	Very high	250 Å²	250	73.1 Å²	73.1	94%	0.943	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.6	169.2	-64.5	-175.4	-179.4	-162.6	0.4	109.4
103	G	90.3	Very high	95.3	Very high	20 Å²	20	70.6 Å²	70.6	21%	0.206	38%	0.376	C	S	.	.	S	Bend	trans	81.5	173.9	-173.4	0	0	0	0	0	112.2	A72 L73 C74	A72-G103 CarbonylContact O-C 3.55Å; A72-G103 WeakPolarHBondContact O-CA 3.33Å; A72-G103 PolarHBondContact O-N 2.04Å; L73-G103 CarbonylContact C-O 3.49Å; L73-G103 WeakPolarHBondContact CA-O 3.47Å; C74-G103 PolarHBondContact N-O 2.91Å
104	P	91.3	Very high	95.4	Very high	6 Å²	6	69.2 Å²	69.2	4%	0.039	37%	0.369	C	S	.	.	S	Bend	trans	-64.3	159.5	179.3	32.3	-39.5	0	0	0	111.8	T80 F135 F169	T80-P104 HydrophobicContact CG2-CB 3.35Å; P104-F135 HydrophobicContact CB-CB 4.43Å; P104-F135 HydrophobicContact CB-CD1 4.49Å; P104-F135 HydrophobicContact CB-CG 4.29Å; P104-F135 HydrophobicContact CG-CB 3.88Å; P104-F135 HydrophobicContact CG-CD1 3.65Å; P104-F135 HydrophobicContact CG-CD2 3.29Å; P104-F135 HydrophobicContact CG-CE1 3.89Å; P104-F135 HydrophobicContact CG-CE2 3.56Å; P104-F135 HydrophobicContact CG-CG 3.33Å; P104-F135 HydrophobicContact CG-CZ 3.85Å; P104-F135 VanDerWaalsContact O-CD1 3.29Å; P104-F135 WeakPolarHBondContact O-CD1 3.22Å; P104-F135 WeakPolarHBondContact O-CE1 3.2Å; P104-F169 HydrophobicContact CB-CD2 3.92Å; P104-F169 HydrophobicContact CB-CE2 3.95Å; P104-F169 HydrophobicContact CB-CG 4.34Å; P104-F169 HydrophobicContact CB-CZ 4.39Å; P104-F169 VanDerWaalsContact CD-CZ 3.48Å; P104-F169 HydrophobicContact CG-CD1 3.78Å; P104-F169 HydrophobicContact CG-CD2 3.78Å; P104-F169 HydrophobicContact CG-CE1 3.73Å; P104-F169 HydrophobicContact CG-CE2 3.75Å; P104-F169 HydrophobicContact CG-CG 3.8Å; P104-F169 HydrophobicContact CG-CZ 3.73Å
105	C	94.1	Very high	95.5	Very high	7 Å²	7	66.3 Å²	66.3	5%	0.047	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-63.9	138.8	174.4	-62.1	0	0	0	0	110.7	C74 G78 T79 T80 T107	C74-C105 WeakPolarHBondContact CA-SG 3.23Å; C74-C105 HydrophobicContact CB-CB 3.98Å; C74-C105 WeakPolarHBondContact CB-SG 3.35Å; C74-C105 WeakPolarHBondContact SG-CA 3.25Å; C74-C105 WeakPolarHBondContact SG-CB 3.31Å; C74-C105 CovalentContact SG-SG 2.04Å; C74-C105 PolarHBondContact SG-SG 2.85Å; G78-C105 PolarHBondContact O-SG 3Å; T79-C105 PolarHBondContact O-SG 3.34Å; T80-C105 PolarHBondContact OG1-N 2.91Å; C105-T107 PolarHBondContact O-N 2.93Å; C105-T107 PolarHBondContact O-OG1 2.89Å
106	R	94.3	Very high	95.7	Very high	146 Å²	146	68.8 Å²	68.8	55%	0.551	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-63	122.9	175.8	-68.9	170.6	63.4	90.3	-5.8	109	F135 E195 L196	R106-F135 CarbonylContact C-O 3.33Å; R106-F135 VanDerWaalsContact CA-O 3.27Å; R106-F135 WeakPolarHBondContact CA-O 3.31Å; R106-F135 HydrophobicContact CG-CD1 4.23Å; R106-E195 IonicContact CZ-OE1 3.3Å; R106-E195 IonicContact NH1-OE1 3.45Å; R106-E195 PolarHBondContact NH1-OE1 2.82Å; R106-E195 IonicContact NH2-OE1 3.51Å; R106-E195 PolarHBondContact NH2-OE1 2.9Å; R106-E195 IonicContact NH2-OE2 3.61Å; R106-L196 HydrophobicContact CB-CD1 4.38Å; R106-L196 HydrophobicContact CB-CD2 4Å
107	T	94.2	Very high	95.8	Very high	41 Å²	41	67.5 Å²	67.5	25%	0.252	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.5	-170.3	-48.1	0	0	0	0	109	C105 F133 F135 N194	C105-T107 PolarHBondContact O-N 2.93Å; C105-T107 PolarHBondContact O-OG1 2.89Å; T107-F133 HydrophobicContact CG2-CE1 4.39Å; T107-F135 PolarHBondContact N-O 2.89Å; T107-F135 PolarHBondContact O-N 2.89Å; T107-N194 PolarHBondContact O-ND2 3.4Å
108	A	96.4	Very high	95.8	Very high	40 Å²	40	69.7 Å²	69.7	33%	0.331	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	155.5	168.2	0	0	0	0	0	110.1	V110 L196	A108-V110 PolarHBondContact O-N 3.29Å; A108-L196 HydrophobicContact CB-CB 3.94Å
109	P	97.1	Very high	95.8	Very high	8 Å²	8	68.3 Å²	68.3	5%	0.052	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	137.2	-172.8	-15.9	31.6	0	0	0	110.8	V132 F133 A134 A138 A192 N194 G197 V199	P109-V132 HydrophobicContact CB-CG1 3.83Å; P109-F133 WeakPolarHBondContact CA-O 2.99Å; P109-A134 HydrophobicContact CB-CB 3.97Å; P109-A134 HydrophobicContact CG-CB 4.23Å; P109-A138 HydrophobicContact CB-CB 3.94Å; P109-A138 HydrophobicContact CG-CB 3.8Å; P109-A192 HydrophobicContact CB-CB 3.81Å; P109-A192 HydrophobicContact CG-CB 4.49Å; P109-N194 WeakPolarHBondContact CD-OD1 3.45Å; P109-N194 HydrophobicContact CG-CB 4.16Å; P109-G197 WeakPolarHBondContact CD-O 3.4Å; P109-V199 HydrophobicContact CB-CG1 3.99Å; P109-V199 WeakPolarHBondContact O-CG1 3.48Å
110	V	96.2	Very high	95.8	Very high	61 Å²	61	67.9 Å²	67.9	37%	0.37	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.1	177.8	-179.8	0	0	0	0	108.4	A108 K112 V132 F133	A108-V110 PolarHBondContact O-N 3.29Å; V110-K112 HydrophobicContact CG1-CD 4.45Å; V110-K112 PolarHBondContact O-N 2.66Å; V110-V132 CarbonylContact O-C 3.59Å; V110-V132 WeakPolarHBondContact O-CA 3.47Å; V110-F133 PolarHBondContact N-O 2.93Å; V110-F133 PolarHBondContact O-N 2.81Å
111	I	97.4	Very high	95.7	Very high	33 Å²	33	65.2 Å²	65.2	17%	0.169	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	115.5	173.9	-64.1	173.8	0	0	0	108	V113 A114 E131 V132 V199 A201	I111-V113 WeakPolarHBondContact CG2-O 3.45Å; I111-A114 HydrophobicContact CG2-CB 4.09Å; I111-E131 CarbonylContact C-O 3.59Å; I111-E131 WeakPolarHBondContact CA-O 3.06Å; I111-V132 HydrophobicContact CG1-CG2 4.33Å; I111-V199 HydrophobicContact CD1-CG1 3.98Å; I111-V199 HydrophobicContact CD1-CG2 4.01Å; I111-V199 HydrophobicContact CG1-CG1 3.69Å; I111-V199 HydrophobicContact CG1-CG2 4.19Å; I111-A201 HydrophobicContact CD1-CB 3.47Å; I111-A201 VanDerWaalsContact CD1-CB 3.47Å; I111-A201 HydrophobicContact CG2-CB 4.35Å
112	K	95.9	Very high	95.9	Very high	116 Å²	116	66.3 Å²	66.3	50%	0.504	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-38.2	176	-64.3	-60.1	-171.9	176.8	0	111.4	V110 E131 F133	V110-K112 HydrophobicContact CG1-CD 4.45Å; V110-K112 PolarHBondContact O-N 2.66Å; K112-E131 HydrophobicContact CB-CB 4.48Å; K112-E131 PolarHBondContact N-O 3.37Å; K112-F133 HydrophobicContact CD-CB 4.36Å; K112-F133 HydrophobicContact CG-CB 3.94Å
113	V	97.2	Very high	96.1	Very high	51 Å²	51	57 Å²	57	31%	0.309	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.1	173.6	-178.8	0	0	0	0	108	I111 L129 C130 E131	I111-V113 WeakPolarHBondContact CG2-O 3.45Å; V113-L129 HydrophobicContact CG1-CD2 4.34Å; V113-C130 WeakPolarHBondContact O-CA 3.09Å; V113-E131 HydrophobicContact CB-CB 3.81Å; V113-E131 HydrophobicContact CB-CG 3.88Å; V113-E131 HydrophobicContact CG2-CB 4.11Å; V113-E131 HydrophobicContact CG2-CG 4.17Å; V113-E131 WeakPolarHBondContact CG2-OE2 3.48Å; V113-E131 PolarHBondContact N-O 2.81Å; V113-E131 PolarHBondContact O-N 2.87Å
114	A	98.2	Very high	96.4	Very high	47 Å²	47	56.9 Å²	56.9	39%	0.388	33%	0.325	S	S	.	.			trans	-80.5	151.7	174.3	0	0	0	0	0	110.5	I111 L129 A201	I111-A114 HydrophobicContact CG2-CB 4.09Å; A114-L129 CarbonylContact C-O 3.59Å; A114-A201 HydrophobicContact CB-CB 3.81Å
115	P	98.4	Very high	96.7	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.058	35%	0.352	C	S	.	.			trans	-58.3	148.3	168.7	26.6	-33.8	0	0	0	110.7	F128 L129 W142 A203	P115-F128 HydrophobicContact CB-CB 4.22Å; P115-F128 HydrophobicContact CB-CD1 4.12Å; P115-L129 WeakPolarHBondContact CA-O 3.48Å; P115-L129 VanDerWaalsContact N-O 3.14Å; P115-W142 HydrophobicContact CB-CH2 3.84Å; P115-W142 HydrophobicContact CB-CZ3 4.04Å; P115-W142 HydrophobicContact CG-CH2 4.13Å; P115-W142 HydrophobicContact CG-CZ3 4.13Å; P115-A203 HydrophobicContact CB-CB 3.67Å; P115-A203 HydrophobicContact CG-CB 4.02Å
116	Q	98.5	Very high	96.9	Very high	144 Å²	144	62 Å²	62	67%	0.673	35%	0.35	S	S	*	.			trans	-107.9	145.4	-178.3	-64.5	-173.6	-15.9	0	0	110.6	F128 A203	Q116-F128 WeakPolarHBondContact O-CD1 3.46Å; Q116-F128 VanDerWaalsContact O-CE1 3.3Å; Q116-F128 WeakPolarHBondContact O-CE1 3.19Å; Q116-A203 WeakPolarHBondContact O-CB 3.13Å
117	D	98.6	Very high	97.1	Very high	113 Å²	113	59 Å²	59	60%	0.604	35%	0.345	S	S	*	.			trans	-61.5	142.9	174.5	-62.3	-17.7	0	0	0	110.8	A203 V204	D117-A203 VanDerWaalsContact OD1-CA 3.25Å; D117-A203 WeakPolarHBondContact OD1-CA 3.45Å; D117-V204 CarbonylContact C-O 3.57Å; D117-V204 VanDerWaalsContact CA-O 3.31Å; D117-V204 WeakPolarHBondContact CA-O 3Å; D117-V204 PolarHBondContact OD1-N 3.25Å
118	Q	98.1	Very high	97.3	Very high	51 Å²	51	57.1 Å²	57.1	24%	0.238	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.3	-178.1	-61.2	-177.5	-3.7	0	0	111	M126 L127 F128 V204 L205 G206	Q118-M126 HydrophobicContact CB-CE 3.43Å; Q118-M126 VanDerWaalsContact CB-CE 3.43Å; Q118-M126 HydrophobicContact CG-CE 4.31Å; Q118-L127 PolarHBondContact NE2-O 3.22Å; Q118-F128 HydrophobicContact CG-CE1 4.19Å; Q118-V204 PolarHBondContact N-O 2.04Å; Q118-L205 HydrophobicContact CB-CD1 4.26Å; Q118-L205 WeakPolarHBondContact O-CA 3.48Å; Q118-G206 PolarHBondContact O-N 2.93Å
119	V	97.8	Very high	97.4	Very high	103 Å²	103	57.7 Å²	57.7	62%	0.624	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.7	171	-177.5	0	0	0	0	109	G206 L208	V119-G206 VanDerWaalsContact CA-O 3.23Å; V119-G206 WeakPolarHBondContact CA-O 3.38Å; V119-L208 HydrophobicContact CG1-CD1 4.18Å; V119-L208 HydrophobicContact CG1-CD2 4.45Å; V119-L208 HydrophobicContact CG1-CG 4.05Å
120	N	96.8	Very high	97.4	Very high	80 Å²	80	57.3 Å²	57.3	43%	0.428	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	169.5	177.9	-151.9	-11.8	0	0	0	111.9	S124 M126 G206 V207 L208	N120-S124 WeakPolarHBondContact CB-OG 3.32Å; N120-S124 VanDerWaalsContact ND2-CB 3.26Å; N120-S124 WeakPolarHBondContact ND2-CB 3.41Å; N120-M126 HydrophobicContact CB-CE 3.94Å; N120-M126 HydrophobicContact CB-SD 3.78Å; N120-G206 PolarHBondContact N-O 2.81Å; N120-V207 CarbonylContact O-C 3.54Å; N120-V207 VanDerWaalsContact O-CA 3.32Å; N120-V207 WeakPolarHBondContact O-CA 3.3Å; N120-L208 PolarHBondContact O-N 2.9Å
121	G	94.9	Very high	97.5	Very high	12 Å²	12	56.1 Å²	56.1	12%	0.124	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	158.1	175.7	0	0	0	0	0	112.9	S124	G121-S124 WeakPolarHBondContact O-CB 3.49Å; G121-S124 PolarHBondContact O-N 3.48Å; G121-S124 PolarHBondContact O-OG 2.77Å
122	S	96.8	Very high	97.4	Very high	54 Å²	54	54.6 Å²	54.6	38%	0.378	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	143.9	177.2	-53	0	0	0	0	111.9	S124 A180 L208	S122-S124 VanDerWaalsContact C-N 3.34Å; S122-A180 CarbonylContact C-O 3.53Å; S122-A180 WeakPolarHBondContact CA-O 3.45Å; S122-L208 PolarHBondContact N-O 2.82Å; S122-L208 PolarHBondContact OG-O 2.93Å
123	G	95.9	Very high	97.4	Very high	54 Å²	54	50.6 Å²	50.6	56%	0.557	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-5.4	-176.1	0	0	0	0	0	114.7	A180	G123-A180 PolarHBondContact N-O 2.97Å
124	S	96.9	Very high	97.2	Very high	18 Å²	18	48.3 Å²	48.3	13%	0.126	28%	0.28	C	S	.	.			trans	-71.2	154.7	176.5	61.8	0	0	0	0	112.9	N120 G121 S122 M126 G179 A180	N120-S124 WeakPolarHBondContact CB-OG 3.32Å; N120-S124 VanDerWaalsContact ND2-CB 3.26Å; N120-S124 WeakPolarHBondContact ND2-CB 3.41Å; G121-S124 WeakPolarHBondContact O-CB 3.49Å; G121-S124 PolarHBondContact O-N 3.48Å; G121-S124 PolarHBondContact O-OG 2.77Å; S122-S124 VanDerWaalsContact C-N 3.34Å; S124-M126 PolarHBondContact OG-SD 3.06Å; S124-G179 PolarHBondContact O-N 3.35Å; S124-A180 WeakPolarHBondContact O-CB 3.42Å; S124-A180 PolarHBondContact O-N 3.35Å
125	I	97.6	Very high	96.9	Very high	117 Å²	117	48.9 Å²	48.9	60%	0.6	27%	0.274	S	S	*	.			trans	-87.2	125.5	166.4	-59.1	171.8	0	0	0	108.2	Q176 I177	I125-Q176 HydrophobicContact CG2-CG 4.02Å; I125-I177 WeakPolarHBondContact CA-O 3.42Å
126	M	97.7	Very high	96.7	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.025	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.6	177.1	-52.4	-52.3	-70	0	0	110.2	Q118 N120 S124 Q176 I177 A180 L205	Q118-M126 HydrophobicContact CB-CE 3.43Å; Q118-M126 VanDerWaalsContact CB-CE 3.43Å; Q118-M126 HydrophobicContact CG-CE 4.31Å; N120-M126 HydrophobicContact CB-CE 3.94Å; N120-M126 HydrophobicContact CB-SD 3.78Å; S124-M126 PolarHBondContact OG-SD 3.06Å; M126-Q176 VanDerWaalsContact O-CA 3.28Å; M126-Q176 WeakPolarHBondContact O-CA 3.44Å; M126-I177 HydrophobicContact CB-CB 4.2Å; M126-I177 PolarHBondContact N-O 2.91Å; M126-I177 PolarHBondContact O-N 2.94Å; M126-A180 HydrophobicContact CG-CB 3.76Å; M126-L205 HydrophobicContact CB-CD1 4.47Å; M126-L205 HydrophobicContact CE-CD1 3.29Å; M126-L205 HydrophobicContact CG-CD1 3.92Å; M126-L205 HydrophobicContact CG-CD2 4.33Å; M126-L205 HydrophobicContact SD-CD1 4.27Å
127	L	98	Very high	96.3	Very high	83 Å²	83	49.3 Å²	49.3	44%	0.435	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	113.8	-177.4	-174.9	69.4	0	0	0	110.9	Q118 W174 L175 Q176	Q118-L127 PolarHBondContact NE2-O 3.22Å; L127-W174 HydrophobicContact CD1-CB 3.99Å; L127-W174 HydrophobicContact CD1-CG 4.38Å; L127-L175 WeakPolarHBondContact CA-O 3.4Å; L127-Q176 HydrophobicContact CD1-CB 4.13Å
128	F	98.5	Very high	96.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.1	171.6	-61.5	-83.9	0	0	0	110.4	P115 Q116 Q118 W142 W174 L175 I177 Y188 A203 L205	P115-F128 HydrophobicContact CB-CB 4.22Å; P115-F128 HydrophobicContact CB-CD1 4.12Å; Q116-F128 WeakPolarHBondContact O-CD1 3.46Å; Q116-F128 VanDerWaalsContact O-CE1 3.3Å; Q116-F128 WeakPolarHBondContact O-CE1 3.19Å; Q118-F128 HydrophobicContact CG-CE1 4.19Å; F128-W142 HydrophobicContact CB-CH2 3.58Å; F128-W142 HydrophobicContact CB-CZ2 4.4Å; F128-W142 HydrophobicContact CB-CZ3 3.81Å; F128-W142 HydrophobicContact CG-CZ3 4.49Å; F128-W174 VanDerWaalsContact O-CA 3.23Å; F128-W174 WeakPolarHBondContact O-CA 3.02Å; F128-L175 HydrophobicContact CB-CB 4.3Å; F128-L175 HydrophobicContact CD2-CD2 4.03Å; F128-L175 HydrophobicContact CD2-CG 4.45Å; F128-L175 PolarHBondContact N-O 3.27Å; F128-L175 PolarHBondContact O-N 2.9Å; F128-I177 HydrophobicContact CE2-CD1 4.41Å; F128-Y188 HydrophobicContact CE2-CD2 4.19Å; F128-Y188 HydrophobicContact CE2-CG 4.4Å; F128-Y188 HydrophobicContact CZ-CD2 4.29Å; F128-A203 HydrophobicContact CD1-CB 3.82Å; F128-A203 HydrophobicContact CE1-CB 3.74Å; F128-L205 HydrophobicContact CE2-CD2 4.4Å; F128-L205 HydrophobicContact CZ-CB 3.91Å; F128-L205 HydrophobicContact CZ-CD1 4.17Å; F128-L205 HydrophobicContact CZ-CD2 4.49Å; F128-L205 HydrophobicContact CZ-CG 4.4Å
129	L	98.1	Very high	96	Very high	53 Å²	53	47.2 Å²	47.2	28%	0.277	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.5	175.7	170.3	61.8	0	0	0	109.8	V113 A114 P115 E131 W174	V113-L129 HydrophobicContact CG1-CD2 4.34Å; A114-L129 CarbonylContact C-O 3.59Å; P115-L129 WeakPolarHBondContact CA-O 3.48Å; P115-L129 VanDerWaalsContact N-O 3.14Å; L129-E131 HydrophobicContact CD1-CG 3.69Å; L129-E131 HydrophobicContact CD2-CG 4.11Å; L129-E131 HydrophobicContact CG-CG 3.94Å; L129-W174 HydrophobicContact CD1-CD2 4.35Å; L129-W174 HydrophobicContact CD1-CG 4.49Å; L129-W174 HydrophobicContact CD1-CZ2 4.15Å
130	C	97.9	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.8	168.9	-172.8	0	0	0	0	109	V113 W142 S173 C190	V113-C130 WeakPolarHBondContact O-CA 3.09Å; C130-W142 HydrophobicContact CB-CH2 3.81Å; C130-W142 HydrophobicContact CB-CZ2 3.46Å; C130-W142 VanDerWaalsContact CB-CZ2 3.46Å; C130-S173 PolarHBondContact N-O 3.28Å; C130-S173 PolarHBondContact O-N 2.82Å; C130-C190 HydrophobicContact CB-CB 3.56Å; C130-C190 WeakPolarHBondContact CB-SG 2.97Å; C130-C190 WeakPolarHBondContact SG-CB 3.26Å; C130-C190 CovalentContact SG-SG 2.04Å; C130-C190 PolarHBondContact SG-SG 3.35Å
131	E	97.5	Very high	96	Very high	35 Å²	35	42.1 Å²	42.1	16%	0.164	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.1	176.5	-56.6	-166.6	135.7	0	0	110.4	I111 K112 V113 L129 L171 S172	I111-E131 CarbonylContact C-O 3.59Å; I111-E131 WeakPolarHBondContact CA-O 3.06Å; K112-E131 HydrophobicContact CB-CB 4.48Å; K112-E131 PolarHBondContact N-O 3.37Å; V113-E131 HydrophobicContact CB-CB 3.81Å; V113-E131 HydrophobicContact CB-CG 3.88Å; V113-E131 HydrophobicContact CG2-CB 4.11Å; V113-E131 HydrophobicContact CG2-CG 4.17Å; V113-E131 WeakPolarHBondContact CG2-OE2 3.48Å; V113-E131 PolarHBondContact N-O 2.81Å; V113-E131 PolarHBondContact O-N 2.87Å; L129-E131 HydrophobicContact CD1-CG 3.69Å; L129-E131 HydrophobicContact CD2-CG 4.11Å; L129-E131 HydrophobicContact CG-CG 3.94Å; E131-L171 WeakPolarHBondContact CA-O 3.36Å; E131-S172 PolarHBondContact OE1-OG 2.88Å
132	V	96.8	Very high	96.1	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.1	-171.2	-178.1	0	0	0	0	109.4	P109 V110 I111 A134 A138 V140 E170 L171 A192	P109-V132 HydrophobicContact CB-CG1 3.83Å; V110-V132 CarbonylContact O-C 3.59Å; V110-V132 WeakPolarHBondContact O-CA 3.47Å; I111-V132 HydrophobicContact CG1-CG2 4.33Å; V132-A134 HydrophobicContact CG1-CB 4.45Å; V132-A138 HydrophobicContact CG1-CB 4.34Å; V132-V140 HydrophobicContact CB-CG2 4.49Å; V132-V140 HydrophobicContact CG2-CG2 3.98Å; V132-E170 CarbonylContact O-C 3.58Å; V132-E170 VanDerWaalsContact O-CA 3.3Å; V132-E170 WeakPolarHBondContact O-CA 3.39Å; V132-L171 PolarHBondContact N-O 2.88Å; V132-L171 PolarHBondContact O-N 2.87Å; V132-A192 HydrophobicContact CB-CB 4.43Å; V132-A192 HydrophobicContact CG1-CB 3.74Å; V132-A192 HydrophobicContact CG2-CB 3.88Å
133	F	94.4	Very high	96.1	Very high	32 Å²	32	42.5 Å²	42.5	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.7	165.3	179.2	-92.4	0	0	0	109.5	T107 P109 V110 K112 F169 E170	T107-F133 HydrophobicContact CG2-CE1 4.39Å; P109-F133 WeakPolarHBondContact CA-O 2.99Å; V110-F133 PolarHBondContact N-O 2.93Å; V110-F133 PolarHBondContact O-N 2.81Å; K112-F133 HydrophobicContact CD-CB 4.36Å; K112-F133 HydrophobicContact CG-CB 3.94Å; F133-F169 HydrophobicContact CD2-CB 4.43Å; F133-F169 HydrophobicContact CE2-CB 3.92Å; F133-E170 HydrophobicContact CB-CG 4.31Å; F133-E170 HydrophobicContact CD2-CG 3.94Å
134	A	93.7	Very high	96.1	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	144.2	176.4	0	0	0	0	0	111.7	P109 V132 P136 A138 F169	P109-A134 HydrophobicContact CB-CB 3.97Å; P109-A134 HydrophobicContact CG-CB 4.23Å; V132-A134 HydrophobicContact CG1-CB 4.45Å; A134-P136 CarbonylContact C-O 3.55Å; A134-P136 WeakPolarHBondContact CB-O 3.06Å; A134-A138 HydrophobicContact CB-CB 3.69Å; A134-F169 PolarHBondContact N-O 2.64Å
135	F	92.7	Very high	95.9	Very high	59 Å²	59	42.8 Å²	42.8	26%	0.259	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	119.4	167.1	-169.1	-105.4	0	0	0	112	P104 R106 T107 F169	P104-F135 HydrophobicContact CB-CB 4.43Å; P104-F135 HydrophobicContact CB-CD1 4.49Å; P104-F135 HydrophobicContact CB-CG 4.29Å; P104-F135 HydrophobicContact CG-CB 3.88Å; P104-F135 HydrophobicContact CG-CD1 3.65Å; P104-F135 HydrophobicContact CG-CD2 3.29Å; P104-F135 HydrophobicContact CG-CE1 3.89Å; P104-F135 HydrophobicContact CG-CE2 3.56Å; P104-F135 HydrophobicContact CG-CG 3.33Å; P104-F135 HydrophobicContact CG-CZ 3.85Å; P104-F135 VanDerWaalsContact O-CD1 3.29Å; P104-F135 WeakPolarHBondContact O-CD1 3.22Å; P104-F135 WeakPolarHBondContact O-CE1 3.2Å; R106-F135 CarbonylContact C-O 3.33Å; R106-F135 VanDerWaalsContact CA-O 3.27Å; R106-F135 WeakPolarHBondContact CA-O 3.31Å; R106-F135 HydrophobicContact CG-CD1 4.23Å; T107-F135 PolarHBondContact N-O 2.89Å; T107-F135 PolarHBondContact O-N 2.89Å; F135-F169 HydrophobicContact CD2-CD1 4.05Å; F135-F169 HydrophobicContact CE2-CD1 4.31Å; F135-F169 HydrophobicContact CE2-CE1 4.38Å
136	P	92.9	Very high	95.2	Very high	42 Å²	42	41.6 Å²	41.6	27%	0.273	23%	0.231	S	C	.	.	S	Bend	cis	-58.6	161.4	-4	-24.1	35.9	0	0	0	113.8	A134 A138 N194 E195	A134-P136 CarbonylContact C-O 3.55Å; A134-P136 WeakPolarHBondContact CB-O 3.06Å; P136-A138 PolarHBondContact O-N 3.49Å; P136-N194 PolarHBondContact O-ND2 2.04Å; P136-E195 VanDerWaalsContact CG-OE1 3.31Å; P136-E195 WeakPolarHBondContact CG-OE1 3.3Å
137	M	91.3	Very high	94.4	Very high	119 Å²	119	47.5 Å²	47.5	59%	0.586	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-53	133.4	-179.5	-177.1	174.5	-75.5	0	0	110.3	L171	M137-L171 HydrophobicContact SD-CD1 4.19Å
138	A	94.8	Very high	93.5	Very high	8 Å²	8	51.1 Å²	51.1	7%	0.066	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-80.9	147.3	-179.2	0	0	0	0	0	111.5	P109 V132 A134 P136 L171 A192 R193 N194	P109-A138 HydrophobicContact CB-CB 3.94Å; P109-A138 HydrophobicContact CG-CB 3.8Å; V132-A138 HydrophobicContact CG1-CB 4.34Å; A134-A138 HydrophobicContact CB-CB 3.69Å; P136-A138 PolarHBondContact O-N 3.49Å; A138-L171 WeakPolarHBondContact O-CD2 3.5Å; A138-A192 HydrophobicContact CB-CB 4.28Å; A138-R193 CarbonylContact C-O 3.59Å; A138-R193 VanDerWaalsContact CA-O 3.25Å; A138-R193 WeakPolarHBondContact CA-O 3.03Å; A138-R193 WeakPolarHBondContact CB-O 3.28Å; A138-N194 HydrophobicContact CB-CB 4.47Å
139	L	95.1	Very high	93	Very high	113 Å²	113	55 Å²	55	59%	0.592	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.6	158.7	177.1	65.6	0	0	0	108.2	E141 A192 R193	L139-E141 HydrophobicContact CD2-CG 4.44Å; L139-E141 HydrophobicContact CG-CG 4.38Å; L139-A192 CarbonylContact O-C 3.59Å; L139-A192 WeakPolarHBondContact O-CA 3.07Å; L139-R193 PolarHBondContact N-O 2.84Å; L139-R193 PolarHBondContact O-N 3.37Å
140	V	96.9	Very high	92.9	Very high	18 Å²	18	55 Å²	55	11%	0.109	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.5	175.1	176.3	0	0	0	0	109.8	V132 L171 C190 I191 A192	V132-V140 HydrophobicContact CB-CG2 4.49Å; V132-V140 HydrophobicContact CG2-CG2 3.98Å; V140-L171 HydrophobicContact CB-CD2 4.08Å; V140-L171 HydrophobicContact CG2-CD2 3.49Å; V140-L171 VanDerWaalsContact CG2-CD2 3.49Å; V140-C190 VanDerWaalsContact CG1-SG 3.59Å; V140-I191 WeakPolarHBondContact CA-O 3.33Å; V140-A192 HydrophobicContact CG2-CB 3.97Å
141	E	96.9	Very high	92.8	Very high	58 Å²	58	55.8 Å²	55.8	27%	0.271	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.6	176.7	-66.8	-177.9	172	0	0	110.2	L139 R143 V150 I191	L139-E141 HydrophobicContact CD2-CG 4.44Å; L139-E141 HydrophobicContact CG-CG 4.38Å; E141-R143 IonicContact OE2-CZ 3.05Å; E141-R143 IonicContact OE2-NE 3.86Å; E141-R143 IonicContact OE2-NH2 2.64Å; E141-R143 PolarHBondContact OE2-NH2 3.24Å; E141-V150 HydrophobicContact CB-CG1 4.01Å; E141-V150 HydrophobicContact CG-CG1 4.03Å; E141-V150 WeakPolarHBondContact OE2-CG2 3.04Å; E141-I191 PolarHBondContact N-O 3.48Å; E141-I191 PolarHBondContact O-N 2.88Å
142	W	98.3	Very high	92.7	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.3	170.6	-71	87.7	0	0	0	110.6	P115 F128 C130 L151 V160 S173 L175 R189 C190	P115-W142 HydrophobicContact CB-CH2 3.84Å; P115-W142 HydrophobicContact CB-CZ3 4.04Å; P115-W142 HydrophobicContact CG-CH2 4.13Å; P115-W142 HydrophobicContact CG-CZ3 4.13Å; F128-W142 HydrophobicContact CB-CH2 3.58Å; F128-W142 HydrophobicContact CB-CZ2 4.4Å; F128-W142 HydrophobicContact CB-CZ3 3.81Å; F128-W142 HydrophobicContact CG-CZ3 4.49Å; C130-W142 HydrophobicContact CB-CH2 3.81Å; C130-W142 HydrophobicContact CB-CZ2 3.46Å; C130-W142 VanDerWaalsContact CB-CZ2 3.46Å; W142-L151 HydrophobicContact CB-CB 4.08Å; W142-L151 HydrophobicContact CB-CD1 4.23Å; W142-L151 PolarHBondContact O-N 3.23Å; W142-V160 HydrophobicContact CB-CG2 4.32Å; W142-V160 HydrophobicContact CG-CG2 4.43Å; W142-S173 PolarHBondContact NE1-OG 3.38Å; W142-L175 HydrophobicContact CB-CD1 4.38Å; W142-L175 HydrophobicContact CB-CD2 4.42Å; W142-L175 HydrophobicContact CD2-CB 3.68Å; W142-L175 HydrophobicContact CD2-CD2 4.17Å; W142-L175 HydrophobicContact CD2-CG 4.47Å; W142-L175 HydrophobicContact CE3-CB 4Å; W142-L175 HydrophobicContact CE3-CD2 3.83Å; W142-L175 HydrophobicContact CG-CB 3.97Å; W142-L175 HydrophobicContact CG-CD2 4.44Å; W142-L175 HydrophobicContact CH2-CB 4.49Å; W142-L175 HydrophobicContact CZ2-CB 4.24Å; W142-L175 HydrophobicContact CZ3-CB 4.4Å; W142-L175 HydrophobicContact CZ3-CD2 4.43Å; W142-R189 CarbonylContact C-O 3.49Å; W142-R189 WeakPolarHBondContact CA-O 3.37Å; W142-C190 HydrophobicContact CD2-CB 4.24Å; W142-C190 HydrophobicContact CE3-CB 4.07Å; W142-C190 HydrophobicContact CH2-CB 3.87Å; W142-C190 HydrophobicContact CZ2-CB 4.02Å; W142-C190 HydrophobicContact CZ3-CB 3.89Å
143	R	97.3	Very high	92.4	Very high	73 Å²	73	58.3 Å²	58.3	28%	0.275	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.5	175.2	-60.9	-171.2	-176.9	-124.7	-5.9	110.2	E141 V150 Y188 R189 I191	E141-R143 IonicContact OE2-CZ 3.05Å; E141-R143 IonicContact OE2-NE 3.86Å; E141-R143 IonicContact OE2-NH2 2.64Å; E141-R143 PolarHBondContact OE2-NH2 3.24Å; R143-V150 VanDerWaalsContact NH2-CG2 3.3Å; R143-Y188 CarbonylContact O-C 3.53Å; R143-Y188 WeakPolarHBondContact O-CA 3.44Å; R143-R189 PolarHBondContact N-O 2.79Å; R143-R189 PolarHBondContact O-N 3.14Å; R143-I191 HydrophobicContact CG-CD1 4.07Å
144	K	95.7	Very high	92.2	Very high	16 Å²	16	65.1 Å²	65.1	7%	0.07	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.5	167.6	-178.7	175.2	177.3	164.2	0	108.5	R147 L151 A183 D184 S185 T187 Y188	K144-R147 PolarHBondContact O-N 2.98Å; K144-R147 VanDerWaalsContact O-O 3.1Å; K144-L151 HydrophobicContact CB-CD1 4.47Å; K144-A183 PolarHBondContact NZ-O 2.88Å; K144-D184 VanDerWaalsContact NZ-CA 3.32Å; K144-D184 PolarHBondContact NZ-O 3.46Å; K144-S185 WeakPolarHBondContact CE-O 3.35Å; K144-S185 PolarHBondContact NZ-O 2.95Å; K144-T187 WeakPolarHBondContact CA-O 3.45Å; K144-Y188 HydrophobicContact CB-CD1 4.21Å; K144-Y188 HydrophobicContact CB-CE1 4.08Å; K144-Y188 HydrophobicContact CD-CE1 4.11Å; K144-Y188 HydrophobicContact CD-CE2 4.44Å; K144-Y188 HydrophobicContact CG-CE1 4.24Å
145	D	91.9	Very high	92.2	Very high	62 Å²	62	67 Å²	67	33%	0.332	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	140.8	-180	-76.2	0.1	0	0	0	111.2	R147 T187 R189	D145-R147 VanDerWaalsContact C-N 3.28Å; D145-T187 PolarHBondContact N-O 3.21Å; D145-R189 VanDerWaalsContact CG-NH2 3.29Å; D145-R189 IonicContact OD1-CZ 3.62Å; D145-R189 IonicContact OD1-NH1 3.83Å; D145-R189 PolarHBondContact OD1-NH1 2.89Å; D145-R189 IonicContact OD1-NH2 3.01Å; D145-R189 PolarHBondContact OD1-NH2 2.76Å; D145-R189 IonicContact OD2-CZ 3.07Å; D145-R189 IonicContact OD2-NH1 3.55Å; D145-R189 IonicContact OD2-NH2 2.75Å; D145-R189 PolarHBondContact OD2-NH2 2.8Å
146	G	82.9	Confident	92.3	Very high	91 Å²	91	70.3 Å²	70.3	94%	0.938	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-1.4	-172.2	0	0	0	0	0	114.6
147	R	81	Confident	92.5	Very high	129 Å²	129	70.2 Å²	70.2	49%	0.487	40%	0.4	S	S	.	.			trans	-125.2	125.2	169.3	-63.5	-173.3	178.2	-179.5	1.2	110.4	K144 D145 V149	K144-R147 PolarHBondContact O-N 2.98Å; K144-R147 VanDerWaalsContact O-O 3.1Å; D145-R147 VanDerWaalsContact C-N 3.28Å; R147-V149 PolarHBondContact O-N 3.45Å; R147-V149 VanDerWaalsContact O-N 3.08Å
148	D	78.8	Confident	92.8	Very high	159 Å²	159	65.1 Å²	65.1	85%	0.85	38%	0.375	S	S	*	.			trans	-82.6	30.7	176.3	-82.3	-28.1	0	0	0	113.4
149	V	88.2	Confident	92.9	Very high	82 Å²	82	66.5 Å²	66.5	50%	0.497	38%	0.384	S	S	.	.	S	Bend	trans	-115.2	134	-176.2	-177.7	0	0	0	0	109.7	R147	R147-V149 PolarHBondContact O-N 3.45Å; R147-V149 VanDerWaalsContact O-N 3.08Å
150	V	95.3	Very high	93	Very high	52 Å²	52	63.2 Å²	63.2	32%	0.315	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-73.8	126.7	170.5	177.8	0	0	0	0	108.6	E141 R143 G153	E141-V150 HydrophobicContact CB-CG1 4.01Å; E141-V150 HydrophobicContact CG-CG1 4.03Å; E141-V150 WeakPolarHBondContact OE2-CG2 3.04Å; R143-V150 VanDerWaalsContact NH2-CG2 3.3Å; V150-G153 PolarHBondContact O-N 2.98Å; V150-G153 VanDerWaalsContact O-N 3.15Å
151	L	96.6	Very high	93	Very high	17 Å²	17	66.9 Å²	66.9	9%	0.089	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	147.5	177.7	-64.3	175.3	0	0	0	110.8	W142 K144 I158 V160 L175 Y188	W142-L151 HydrophobicContact CB-CB 4.08Å; W142-L151 HydrophobicContact CB-CD1 4.23Å; W142-L151 PolarHBondContact O-N 3.23Å; K144-L151 HydrophobicContact CB-CD1 4.47Å; L151-I158 HydrophobicContact CB-CG2 4.42Å; L151-I158 HydrophobicContact CD2-CD1 4Å; L151-V160 HydrophobicContact CB-CG2 4.14Å; L151-L175 HydrophobicContact CB-CD1 4.12Å; L151-L175 HydrophobicContact CD1-CD1 3.82Å; L151-L175 HydrophobicContact CD1-CD2 3.85Å; L151-Y188 HydrophobicContact CD1-CD1 3.74Å; L151-Y188 HydrophobicContact CD1-CE1 3.8Å
152	P	95.3	Very high	92.9	Very high	52 Å²	52	66.6 Å²	66.6	34%	0.338	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	cis	-79.7	-9.7	8.7	32.8	-36.6	0	0	0	115.3	D155 I158	P152-D155 WeakPolarHBondContact O-CB 3.13Å; P152-D155 PolarHBondContact O-N 2.92Å; P152-I158 HydrophobicContact CB-CB 4.14Å; P152-I158 HydrophobicContact CB-CG2 3.93Å; P152-I158 WeakPolarHBondContact CB-O 3.38Å
153	G	90.8	Very high	92.7	Very high	38 Å²	38	74.4 Å²	74.4	39%	0.392	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-136.6	-173.9	0	0	0	0	0	111.6	V150	V150-G153 PolarHBondContact O-N 2.98Å; V150-G153 VanDerWaalsContact O-N 3.15Å
154	D	90.3	Very high	92.3	Very high	175 Å²	175	73.7 Å²	73.7	94%	0.936	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	14.1	176.1	-63.1	-40.5	0	0	0	112.9	P156	D154-P156 WeakPolarHBondContact O-CD 3.11Å
155	D	93.2	Very high	91.8	Very high	42 Å²	42	73.8 Å²	73.8	23%	0.225	44%	0.443	C	S	.	.			trans	-90.1	109.9	-171.9	-154.9	-26	0	0	0	111.9	P152 H157 I158	P152-D155 WeakPolarHBondContact O-CB 3.13Å; P152-D155 PolarHBondContact O-N 2.92Å; D155-H157 VanDerWaalsContact C-N 3.29Å; D155-H157 PolarHBondContact O-N 3.33Å; D155-H157 IonicContact OD1-CD2 2.98Å; D155-H157 PolarHBondContact OD1-CD2 3.35Å; D155-H157 IonicContact OD1-CG 3.71Å; D155-H157 IonicContact OD1-NE2 3.79Å; D155-H157 PolarHBondContact OD1-NE2 3.34Å; D155-H157 IonicContact OD2-CD2 3.69Å; D155-H157 IonicContact OD2-NE2 3.03Å; D155-H157 PolarHBondContact OD2-NE2 2.92Å; D155-I158 HydrophobicContact CB-CB 4.27Å; D155-I158 HydrophobicContact CB-CD1 4.18Å; D155-I158 HydrophobicContact CB-CG1 4.14Å; D155-I158 PolarHBondContact O-N 3.4Å
156	P	94.1	Very high	91.1	Very high	130 Å²	130	75.4 Å²	75.4	84%	0.844	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.9	-169	28.7	-36.5	0	0	0	114.4	D154	D154-P156 WeakPolarHBondContact O-CD 3.11Å
157	H	96.9	Very high	91	Very high	40 Å²	40	76.1 Å²	76.1	19%	0.185	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-2.1	177.7	75.7	161.6	0	0	0	113.4	D155 I177 E178 D184	D155-H157 VanDerWaalsContact C-N 3.29Å; D155-H157 PolarHBondContact O-N 3.33Å; D155-H157 IonicContact OD1-CD2 2.98Å; D155-H157 PolarHBondContact OD1-CD2 3.35Å; D155-H157 IonicContact OD1-CG 3.71Å; D155-H157 IonicContact OD1-NE2 3.79Å; D155-H157 PolarHBondContact OD1-NE2 3.34Å; D155-H157 IonicContact OD2-CD2 3.69Å; D155-H157 IonicContact OD2-NE2 3.03Å; D155-H157 PolarHBondContact OD2-NE2 2.92Å; H157-I177 WeakPolarHBondContact O-CA 3.4Å; H157-E178 HydrophobicContact CB-CB 4.35Å; H157-E178 WeakPolarHBondContact CB-O 3.43Å; H157-E178 PolarHBondContact ND1-O 3.06Å; H157-E178 PolarHBondContact O-N 2.86Å; H157-D184 IonicContact CE1-OD1 3.24Å; H157-D184 IonicContact CE1-OD2 2.64Å; H157-D184 PolarHBondContact CE1-OD2 3.36Å; H157-D184 VanDerWaalsContact CE1-OD2 3.3Å; H157-D184 IonicContact NE2-OD1 2.8Å
158	I	97.6	Very high	90.9	Very high	11 Å²	11	76 Å²	76	6%	0.056	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.4	174.6	-59	-174.2	0	0	0	109.4	L151 P152 D155 L175 Q176 I177	L151-I158 HydrophobicContact CB-CG2 4.42Å; L151-I158 HydrophobicContact CD2-CD1 4Å; P152-I158 HydrophobicContact CB-CB 4.14Å; P152-I158 HydrophobicContact CB-CG2 3.93Å; P152-I158 WeakPolarHBondContact CB-O 3.38Å; D155-I158 HydrophobicContact CB-CB 4.27Å; D155-I158 HydrophobicContact CB-CD1 4.18Å; D155-I158 HydrophobicContact CB-CG1 4.14Å; D155-I158 PolarHBondContact O-N 3.4Å; I158-L175 HydrophobicContact CG2-CD1 3.47Å; I158-L175 VanDerWaalsContact CG2-CD1 3.47Å; I158-Q176 WeakPolarHBondContact CA-O 3.39Å; I158-I177 HydrophobicContact CG1-CG1 4.3Å; I158-I177 HydrophobicContact CG1-CG2 4.49Å
159	S	97.9	Very high	91.2	Very high	37 Å²	37	71.2 Å²	71.2	26%	0.259	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.9	169.9	66.4	0	0	0	0	112	Q176	S159-Q176 PolarHBondContact N-O 3.46Å; S159-Q176 PolarHBondContact O-N 3.16Å
160	V	97.9	Very high	91.3	Very high	44 Å²	44	68.4 Å²	68.4	27%	0.267	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.1	175	175.8	0	0	0	0	108.9	W142 L151 W174 L175	W142-V160 HydrophobicContact CB-CG2 4.32Å; W142-V160 HydrophobicContact CG-CG2 4.43Å; L151-V160 HydrophobicContact CB-CG2 4.14Å; V160-W174 CarbonylContact C-O 3.57Å; V160-W174 WeakPolarHBondContact CA-O 3.44Å; V160-L175 HydrophobicContact CG2-CD1 3.54Å
161	Q	96.4	Very high	91.2	Very high	95 Å²	95	66.8 Å²	66.8	44%	0.444	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.5	175.6	-59.7	-173.8	42.9	0	0	109.9	S173 W174	Q161-S173 CarbonylContact O-C 3.05Å; Q161-S173 VanDerWaalsContact O-CA 3.24Å; Q161-S173 WeakPolarHBondContact O-CA 3.29Å; Q161-S173 PolarHBondContact O-OG 3.31Å; Q161-S173 VanDerWaalsContact O-OG 3.14Å; Q161-W174 PolarHBondContact N-O 3.02Å; Q161-W174 PolarHBondContact O-N 2.88Å
162	A	95.1	Very high	91.3	Very high	52 Å²	52	66 Å²	66	43%	0.43	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.2	173.5	0	0	0	0	0	109.5	L171 S172	A162-L171 HydrophobicContact CB-CD1 4.34Å; A162-S172 WeakPolarHBondContact CA-O 3.12Å
163	R	93.5	Very high	91.4	Very high	165 Å²	165	63.6 Å²	63.6	62%	0.623	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.9	179	-57.8	-68.7	179.4	-178.7	-1.4	109.2	G165 L171 S172 W174	R163-G165 PolarHBondContact O-N 3.02Å; R163-L171 VanDerWaalsContact O-CD1 3.31Å; R163-L171 WeakPolarHBondContact O-CD1 3.32Å; R163-S172 PolarHBondContact N-O 2.04Å; R163-S172 PolarHBondContact O-N 3.2Å; R163-S172 VanDerWaalsContact O-O 3.14Å; R163-W174 HydrophobicContact CB-CH2 4.3Å; R163-W174 HydrophobicContact CB-CZ3 3.87Å; R163-W174 HydrophobicContact CG-CZ3 3.97Å
164	G	89.9	Confident	91.7	Very high	59 Å²	59	65.4 Å²	65.4	61%	0.608	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.3	134.7	167.6	0	0	0	0	0	110
165	G	83.5	Confident	92.1	Very high	18 Å²	18	57.1 Å²	57.1	19%	0.186	31%	0.311	C	S	.	.			trans	-71.4	179.9	-179.4	0	0	0	0	0	112.9	R163 L167 E170 S172	R163-G165 PolarHBondContact O-N 3.02Å; G165-L167 VanDerWaalsContact C-N 3.25Å; G165-L167 PolarHBondContact O-N 3.34Å; G165-E170 PolarHBondContact N-O 3.45Å; G165-S172 WeakPolarHBondContact CA-OG 3.37Å
166	P	77.1	Confident	92.4	Very high	95 Å²	95	57.1 Å²	57.1	62%	0.617	31%	0.31	S	S	*	.	S	Bend	trans	-64.4	-31.5	-177.6	26	-33	0	0	0	112.3
167	L	81.3	Confident	92.6	Very high	106 Å²	106	51 Å²	51	56%	0.555	27%	0.27	S	S	*	.	S	Bend	trans	-106.7	162.5	174.6	-51.3	176	0	0	0	112	G165 F169 E170	G165-L167 VanDerWaalsContact C-N 3.25Å; G165-L167 PolarHBondContact O-N 3.34Å; L167-F169 PolarHBondContact O-N 3.17Å; L167-E170 HydrophobicContact CB-CG 4.17Å; L167-E170 VanDerWaalsContact CB-OE2 3.31Å; L167-E170 WeakPolarHBondContact CB-OE2 3.49Å; L167-E170 PolarHBondContact N-OE2 2.86Å; L167-E170 WeakPolarHBondContact O-CB 3.38Å; L167-E170 PolarHBondContact O-N 3.45Å
168	R	80.3	Confident	92.6	Very high	127 Å²	127	53.9 Å²	53.9	48%	0.479	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	138.1	179.6	-55.7	179.6	93.8	-158.4	16.8	109.5	Q70 E170	Q70-R168 PolarHBondContact O-NH1 3.15Å; R168-E170 PolarHBondContact O-N 3.16Å
169	F	83.5	Confident	92.6	Very high	58 Å²	58	55 Å²	55	25%	0.254	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	11.8	-178.4	-36.2	-70.4	0	0	0	114.7	A72 P104 F133 A134 F135 L167	A72-F169 HydrophobicContact CB-CE2 3.49Å; A72-F169 VanDerWaalsContact CB-CE2 3.49Å; A72-F169 HydrophobicContact CB-CZ 3.73Å; P104-F169 HydrophobicContact CB-CD2 3.92Å; P104-F169 HydrophobicContact CB-CE2 3.95Å; P104-F169 HydrophobicContact CB-CG 4.34Å; P104-F169 HydrophobicContact CB-CZ 4.39Å; P104-F169 VanDerWaalsContact CD-CZ 3.48Å; P104-F169 HydrophobicContact CG-CD1 3.78Å; P104-F169 HydrophobicContact CG-CD2 3.78Å; P104-F169 HydrophobicContact CG-CE1 3.73Å; P104-F169 HydrophobicContact CG-CE2 3.75Å; P104-F169 HydrophobicContact CG-CG 3.8Å; P104-F169 HydrophobicContact CG-CZ 3.73Å; F133-F169 HydrophobicContact CD2-CB 4.43Å; F133-F169 HydrophobicContact CE2-CB 3.92Å; A134-F169 PolarHBondContact N-O 2.64Å; F135-F169 HydrophobicContact CD2-CD1 4.05Å; F135-F169 HydrophobicContact CE2-CD1 4.31Å; F135-F169 HydrophobicContact CE2-CE1 4.38Å; L167-F169 PolarHBondContact O-N 3.17Å
170	E	90.7	Very high	92.5	Very high	24 Å²	24	53.2 Å²	53.2	11%	0.112	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	152.7	163.4	-64.5	-179.3	166.2	0	0	110.3	V132 F133 G165 L167 R168	V132-E170 CarbonylContact O-C 3.58Å; V132-E170 VanDerWaalsContact O-CA 3.3Å; V132-E170 WeakPolarHBondContact O-CA 3.39Å; F133-E170 HydrophobicContact CB-CG 4.31Å; F133-E170 HydrophobicContact CD2-CG 3.94Å; G165-E170 PolarHBondContact N-O 3.45Å; L167-E170 HydrophobicContact CB-CG 4.17Å; L167-E170 VanDerWaalsContact CB-OE2 3.31Å; L167-E170 WeakPolarHBondContact CB-OE2 3.49Å; L167-E170 PolarHBondContact N-OE2 2.86Å; L167-E170 WeakPolarHBondContact O-CB 3.38Å; L167-E170 PolarHBondContact O-N 3.45Å; R168-E170 PolarHBondContact O-N 3.16Å
171	L	94.3	Very high	92.5	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.089	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.8	173.7	-179.6	79.9	0	0	0	107.1	E131 V132 M137 A138 V140 A162 R163	E131-L171 WeakPolarHBondContact CA-O 3.36Å; V132-L171 PolarHBondContact N-O 2.88Å; V132-L171 PolarHBondContact O-N 2.87Å; M137-L171 HydrophobicContact SD-CD1 4.19Å; A138-L171 WeakPolarHBondContact O-CD2 3.5Å; V140-L171 HydrophobicContact CB-CD2 4.08Å; V140-L171 HydrophobicContact CG2-CD2 3.49Å; V140-L171 VanDerWaalsContact CG2-CD2 3.49Å; A162-L171 HydrophobicContact CB-CD1 4.34Å; R163-L171 VanDerWaalsContact O-CD1 3.31Å; R163-L171 WeakPolarHBondContact O-CD1 3.32Å
172	S	96.9	Very high	92.4	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.9	172.1	-57.7	0	0	0	0	108	E131 A162 R163 G165 W174	E131-S172 PolarHBondContact OE1-OG 2.88Å; A162-S172 WeakPolarHBondContact CA-O 3.12Å; R163-S172 PolarHBondContact N-O 2.04Å; R163-S172 PolarHBondContact O-N 3.2Å; R163-S172 VanDerWaalsContact O-O 3.14Å; G165-S172 WeakPolarHBondContact CA-OG 3.37Å; S172-W174 WeakPolarHBondContact O-CZ3 3.34Å
173	S	97.8	Very high	92.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.8	175.7	-176.3	0	0	0	0	110.5	C130 W142 Q161	C130-S173 PolarHBondContact N-O 3.28Å; C130-S173 PolarHBondContact O-N 2.82Å; W142-S173 PolarHBondContact NE1-OG 3.38Å; Q161-S173 CarbonylContact O-C 3.05Å; Q161-S173 VanDerWaalsContact O-CA 3.24Å; Q161-S173 WeakPolarHBondContact O-CA 3.29Å; Q161-S173 PolarHBondContact O-OG 3.31Å; Q161-S173 VanDerWaalsContact O-OG 3.14Å
174	W	98.2	Very high	92.5	Very high	76 Å²	76	48.7 Å²	48.7	29%	0.288	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.2	-179.9	-61.5	-95.1	0	0	0	110.4	L127 F128 L129 V160 Q161 R163 S172	L127-W174 HydrophobicContact CD1-CB 3.99Å; L127-W174 HydrophobicContact CD1-CG 4.38Å; F128-W174 VanDerWaalsContact O-CA 3.23Å; F128-W174 WeakPolarHBondContact O-CA 3.02Å; L129-W174 HydrophobicContact CD1-CD2 4.35Å; L129-W174 HydrophobicContact CD1-CG 4.49Å; L129-W174 HydrophobicContact CD1-CZ2 4.15Å; V160-W174 CarbonylContact C-O 3.57Å; V160-W174 WeakPolarHBondContact CA-O 3.44Å; Q161-W174 PolarHBondContact N-O 3.02Å; Q161-W174 PolarHBondContact O-N 2.88Å; R163-W174 HydrophobicContact CB-CH2 4.3Å; R163-W174 HydrophobicContact CB-CZ3 3.87Å; R163-W174 HydrophobicContact CG-CZ3 3.97Å; S172-W174 WeakPolarHBondContact O-CZ3 3.34Å
175	L	98.4	Very high	92.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.6	166.3	171.5	73.6	0	0	0	107.8	L127 F128 W142 L151 I158 V160 Y188	L127-L175 WeakPolarHBondContact CA-O 3.4Å; F128-L175 HydrophobicContact CB-CB 4.3Å; F128-L175 HydrophobicContact CD2-CD2 4.03Å; F128-L175 HydrophobicContact CD2-CG 4.45Å; F128-L175 PolarHBondContact N-O 3.27Å; F128-L175 PolarHBondContact O-N 2.9Å; W142-L175 HydrophobicContact CB-CD1 4.38Å; W142-L175 HydrophobicContact CB-CD2 4.42Å; W142-L175 HydrophobicContact CD2-CB 3.68Å; W142-L175 HydrophobicContact CD2-CD2 4.17Å; W142-L175 HydrophobicContact CD2-CG 4.47Å; W142-L175 HydrophobicContact CE3-CB 4Å; W142-L175 HydrophobicContact CE3-CD2 3.83Å; W142-L175 HydrophobicContact CG-CB 3.97Å; W142-L175 HydrophobicContact CG-CD2 4.44Å; W142-L175 HydrophobicContact CH2-CB 4.49Å; W142-L175 HydrophobicContact CZ2-CB 4.24Å; W142-L175 HydrophobicContact CZ3-CB 4.4Å; W142-L175 HydrophobicContact CZ3-CD2 4.43Å; L151-L175 HydrophobicContact CB-CD1 4.12Å; L151-L175 HydrophobicContact CD1-CD1 3.82Å; L151-L175 HydrophobicContact CD1-CD2 3.85Å; I158-L175 HydrophobicContact CG2-CD1 3.47Å; I158-L175 VanDerWaalsContact CG2-CD1 3.47Å; V160-L175 HydrophobicContact CG2-CD1 3.54Å; L175-Y188 HydrophobicContact CD2-CD1 3.31Å; L175-Y188 HydrophobicContact CD2-CE1 3.86Å; L175-Y188 HydrophobicContact CD2-CG 4.02Å
176	Q	98.4	Very high	93.4	Very high	43 Å²	43	48.2 Å²	48.2	20%	0.201	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.5	178.5	178.8	178.6	-41.1	0	0	110.3	I125 M126 L127 I158 S159 E178	I125-Q176 HydrophobicContact CG2-CG 4.02Å; M126-Q176 VanDerWaalsContact O-CA 3.28Å; M126-Q176 WeakPolarHBondContact O-CA 3.44Å; L127-Q176 HydrophobicContact CD1-CB 4.13Å; I158-Q176 WeakPolarHBondContact CA-O 3.39Å; S159-Q176 PolarHBondContact N-O 3.46Å; S159-Q176 PolarHBondContact O-N 3.16Å; Q176-E178 HydrophobicContact CG-CG 4.38Å; Q176-E178 PolarHBondContact NE2-OE1 2.04Å
177	I	98.3	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.2	172.2	-51.9	169.3	0	0	0	107.3	I125 M126 F128 H157 I158 A180 Y188 L205	I125-I177 WeakPolarHBondContact CA-O 3.42Å; M126-I177 HydrophobicContact CB-CB 4.2Å; M126-I177 PolarHBondContact N-O 2.91Å; M126-I177 PolarHBondContact O-N 2.94Å; F128-I177 HydrophobicContact CE2-CD1 4.41Å; H157-I177 WeakPolarHBondContact O-CA 3.4Å; I158-I177 HydrophobicContact CG1-CG1 4.3Å; I158-I177 HydrophobicContact CG1-CG2 4.49Å; I177-A180 HydrophobicContact CG2-CB 4.37Å; I177-Y188 HydrophobicContact CD1-CE1 3.95Å; I177-Y188 HydrophobicContact CD1-CE2 4.22Å; I177-Y188 VanDerWaalsContact CD1-OH 3.29Å; I177-Y188 WeakPolarHBondContact CD1-OH 3.09Å; I177-L205 HydrophobicContact CD1-CD2 3.62Å
178	E	98.1	Very high	95.2	Very high	102 Å²	102	40.7 Å²	40.7	48%	0.477	22%	0.223	S	C	.	.	S	Bend	trans	-92	132.7	177.9	-65.8	-172.7	178	0	0	110.9	H157 Q176	H157-E178 HydrophobicContact CB-CB 4.35Å; H157-E178 WeakPolarHBondContact CB-O 3.43Å; H157-E178 PolarHBondContact ND1-O 3.06Å; H157-E178 PolarHBondContact O-N 2.86Å; Q176-E178 HydrophobicContact CG-CG 4.38Å; Q176-E178 PolarHBondContact NE2-OE1 2.04Å
179	G	97.1	Very high	96.1	Very high	33 Å²	33	38.1 Å²	38.1	34%	0.34	21%	0.213	S	C	.	.	S	Bend	trans	61.4	51.3	176.7	0	0	0	0	0	112.8	S124 E181	S124-G179 PolarHBondContact O-N 3.35Å; G179-E181 PolarHBondContact O-N 3.4Å
180	A	96.8	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.			trans	-54.1	137.9	-171.2	0	0	0	0	0	113.2	S122 G123 S124 M126 I177 D184 V207	S122-A180 CarbonylContact C-O 3.53Å; S122-A180 WeakPolarHBondContact CA-O 3.45Å; G123-A180 PolarHBondContact N-O 2.97Å; S124-A180 WeakPolarHBondContact O-CB 3.42Å; S124-A180 PolarHBondContact O-N 3.35Å; M126-A180 HydrophobicContact CG-CB 3.76Å; I177-A180 HydrophobicContact CG2-CB 4.37Å; A180-D184 WeakPolarHBondContact CA-OD2 3.41Å; A180-V207 HydrophobicContact CB-CG1 4.3Å; A180-V207 HydrophobicContact CB-CG2 3.97Å
181	E	96.3	Very high	97.1	Very high	110 Å²	110	35.6 Å²	35.6	51%	0.514	20%	0.203	S	C	.	.			trans	-115	160.1	-179.3	-60.3	-172.2	160	0	0	111.1	G179 A183 D184 V207	G179-E181 PolarHBondContact O-N 3.4Å; E181-A183 PolarHBondContact O-N 3.31Å; E181-D184 PolarHBondContact N-OD2 2.97Å; E181-D184 WeakPolarHBondContact O-CA 3.23Å; E181-D184 VanDerWaalsContact O-CB 3.27Å; E181-D184 WeakPolarHBondContact O-CB 3.43Å; E181-D184 PolarHBondContact O-N 2.83Å; E181-V207 WeakPolarHBondContact O-CB 3.37Å; E181-V207 WeakPolarHBondContact O-CG2 3.01Å
182	P	95.8	Very high	97.3	Very high	75 Å²	75	34.8 Å²	34.8	49%	0.487	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-52.4	-31.7	175.6	-29.3	37.3	0	0	0	113.8	D184 S185	P182-D184 PolarHBondContact O-N 2.73Å; P182-S185 WeakPolarHBondContact O-CB 3Å; P182-S185 PolarHBondContact O-N 3.05Å; P182-S185 PolarHBondContact O-OG 3.46Å
183	A	93.9	Very high	97.3	Very high	68 Å²	68	41.6 Å²	41.6	56%	0.562	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-67.7	-20.1	175.9	0	0	0	0	0	113.9	K144 E181 S185	K144-A183 PolarHBondContact NZ-O 2.88Å; E181-A183 PolarHBondContact O-N 3.31Å; A183-S185 VanDerWaalsContact C-N 3.25Å
184	D	95.6	Very high	97.3	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.043	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-74.3	-19	173.8	-64.2	-38.6	0	0	0	112.2	K144 H157 A180 E181 P182 G186 Y188 L205 V207	K144-D184 VanDerWaalsContact NZ-CA 3.32Å; K144-D184 PolarHBondContact NZ-O 3.46Å; H157-D184 IonicContact CE1-OD1 3.24Å; H157-D184 IonicContact CE1-OD2 2.64Å; H157-D184 PolarHBondContact CE1-OD2 3.36Å; H157-D184 VanDerWaalsContact CE1-OD2 3.3Å; H157-D184 IonicContact NE2-OD1 2.8Å; A180-D184 WeakPolarHBondContact CA-OD2 3.41Å; E181-D184 PolarHBondContact N-OD2 2.97Å; E181-D184 WeakPolarHBondContact O-CA 3.23Å; E181-D184 VanDerWaalsContact O-CB 3.27Å; E181-D184 WeakPolarHBondContact O-CB 3.43Å; E181-D184 PolarHBondContact O-N 2.83Å; P182-D184 PolarHBondContact O-N 2.73Å; D184-G186 PolarHBondContact O-N 2.9Å; D184-Y188 WeakPolarHBondContact O-CE2 3.24Å; D184-Y188 PolarHBondContact O-OH 3.25Å; D184-L205 HydrophobicContact CB-CD2 4.09Å; D184-V207 HydrophobicContact CB-CG2 4.37Å
185	S	96.9	Very high	97.3	Very high	43 Å²	43	45.1 Å²	45.1	30%	0.301	24%	0.244	S	C	.	.			trans	-52	140.4	173.4	-53.4	0	0	0	0	111.5	K144 P182 A183 L205 V207	K144-S185 WeakPolarHBondContact CE-O 3.35Å; K144-S185 PolarHBondContact NZ-O 2.95Å; P182-S185 WeakPolarHBondContact O-CB 3Å; P182-S185 PolarHBondContact O-N 3.05Å; P182-S185 PolarHBondContact O-OG 3.46Å; A183-S185 VanDerWaalsContact C-N 3.25Å; S185-L205 VanDerWaalsContact CA-O 3.24Å; S185-L205 WeakPolarHBondContact CA-O 2.99Å; S185-V207 PolarHBondContact OG-N 2.72Å
186	G	96.7	Very high	97.2	Very high	25 Å²	25	48.6 Å²	48.6	26%	0.258	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.5	-174.5	-177.6	0	0	0	0	0	113.2	D184 L205	D184-G186 PolarHBondContact O-N 2.9Å; G186-L205 PolarHBondContact N-O 3.15Å; G186-L205 PolarHBondContact O-N 2.94Å
187	T	98	Very high	97.2	Very high	41 Å²	41	47.8 Å²	47.8	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.2	177.9	-59.7	0	0	0	0	109.9	K144 D145 A203	K144-T187 WeakPolarHBondContact CA-O 3.45Å; D145-T187 PolarHBondContact N-O 3.21Å; T187-A203 CarbonylContact C-O 3.59Å; T187-A203 WeakPolarHBondContact CA-O 3.48Å
188	Y	97.9	Very high	97.2	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137	175.2	-69	-94.1	0	0	0	109.5	F128 R143 K144 L151 L175 I177 D184 S202 A203 L205	F128-Y188 HydrophobicContact CE2-CD2 4.19Å; F128-Y188 HydrophobicContact CE2-CG 4.4Å; F128-Y188 HydrophobicContact CZ-CD2 4.29Å; R143-Y188 CarbonylContact O-C 3.53Å; R143-Y188 WeakPolarHBondContact O-CA 3.44Å; K144-Y188 HydrophobicContact CB-CD1 4.21Å; K144-Y188 HydrophobicContact CB-CE1 4.08Å; K144-Y188 HydrophobicContact CD-CE1 4.11Å; K144-Y188 HydrophobicContact CD-CE2 4.44Å; K144-Y188 HydrophobicContact CG-CE1 4.24Å; L151-Y188 HydrophobicContact CD1-CD1 3.74Å; L151-Y188 HydrophobicContact CD1-CE1 3.8Å; L175-Y188 HydrophobicContact CD2-CD1 3.31Å; L175-Y188 HydrophobicContact CD2-CE1 3.86Å; L175-Y188 HydrophobicContact CD2-CG 4.02Å; I177-Y188 HydrophobicContact CD1-CE1 3.95Å; I177-Y188 HydrophobicContact CD1-CE2 4.22Å; I177-Y188 VanDerWaalsContact CD1-OH 3.29Å; I177-Y188 WeakPolarHBondContact CD1-OH 3.09Å; D184-Y188 WeakPolarHBondContact O-CE2 3.24Å; D184-Y188 PolarHBondContact O-OH 3.25Å; Y188-S202 CarbonylContact O-C 3.36Å; Y188-S202 WeakPolarHBondContact O-CA 3.03Å; Y188-A203 PolarHBondContact N-O 3.3Å; Y188-A203 PolarHBondContact O-N 3.32Å; Y188-L205 HydrophobicContact CD2-CB 3.95Å; Y188-L205 HydrophobicContact CE2-CB 3.68Å; Y188-L205 HydrophobicContact CE2-CD2 3.73Å; Y188-L205 HydrophobicContact CE2-CG 4.36Å
189	R	98	Very high	97.2	Very high	73 Å²	73	47.6 Å²	47.6	28%	0.275	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.9	-176.5	-171.9	175.8	-66.6	119.2	4.5	110.7	W142 R143 D145 I191 A201 S202	W142-R189 CarbonylContact C-O 3.49Å; W142-R189 WeakPolarHBondContact CA-O 3.37Å; R143-R189 PolarHBondContact N-O 2.79Å; R143-R189 PolarHBondContact O-N 3.14Å; D145-R189 VanDerWaalsContact CG-NH2 3.29Å; D145-R189 IonicContact OD1-CZ 3.62Å; D145-R189 IonicContact OD1-NH1 3.83Å; D145-R189 PolarHBondContact OD1-NH1 2.89Å; D145-R189 IonicContact OD1-NH2 3.01Å; D145-R189 PolarHBondContact OD1-NH2 2.76Å; D145-R189 IonicContact OD2-CZ 3.07Å; D145-R189 IonicContact OD2-NH1 3.55Å; D145-R189 IonicContact OD2-NH2 2.75Å; D145-R189 PolarHBondContact OD2-NH2 2.8Å; R189-I191 HydrophobicContact CG-CD1 4.37Å; R189-I191 HydrophobicContact CG-CG1 3.83Å; R189-A201 CarbonylContact C-O 3.55Å; R189-A201 WeakPolarHBondContact CA-O 3.46Å; R189-S202 WeakPolarHBondContact CG-OG 3.32Å; R189-S202 PolarHBondContact NE-OG 3.29Å
190	C	98.1	Very high	97.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130	164.6	171.7	0	0	0	0	108.7	C130 V140 W142 S200 A201	C130-C190 HydrophobicContact CB-CB 3.56Å; C130-C190 WeakPolarHBondContact CB-SG 2.97Å; C130-C190 WeakPolarHBondContact SG-CB 3.26Å; C130-C190 CovalentContact SG-SG 2.04Å; C130-C190 PolarHBondContact SG-SG 3.35Å; V140-C190 VanDerWaalsContact CG1-SG 3.59Å; W142-C190 HydrophobicContact CD2-CB 4.24Å; W142-C190 HydrophobicContact CE3-CB 4.07Å; W142-C190 HydrophobicContact CH2-CB 3.87Å; W142-C190 HydrophobicContact CZ2-CB 4.02Å; W142-C190 HydrophobicContact CZ3-CB 3.89Å; C190-S200 CarbonylContact O-C 3.51Å; C190-S200 WeakPolarHBondContact O-CA 3.47Å; C190-S200 VanDerWaalsContact O-CB 3.28Å; C190-S200 WeakPolarHBondContact O-CB 3.37Å; C190-A201 PolarHBondContact N-O 3.33Å; C190-A201 PolarHBondContact O-N 3.14Å
191	I	97.9	Very high	97.3	Very high	29 Å²	29	50.1 Å²	50.1	15%	0.149	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.6	179.4	-55	169.2	0	0	0	108	V140 E141 R143 R189	V140-I191 WeakPolarHBondContact CA-O 3.33Å; E141-I191 PolarHBondContact N-O 3.48Å; E141-I191 PolarHBondContact O-N 2.88Å; R143-I191 HydrophobicContact CG-CD1 4.07Å; R189-I191 HydrophobicContact CG-CD1 4.37Å; R189-I191 HydrophobicContact CG-CG1 3.83Å
192	A	98.1	Very high	97.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.8	176.4	0	0	0	0	0	110.8	P109 V132 A138 L139 V140 S198 V199	P109-A192 HydrophobicContact CB-CB 3.81Å; P109-A192 HydrophobicContact CG-CB 4.49Å; V132-A192 HydrophobicContact CB-CB 4.43Å; V132-A192 HydrophobicContact CG1-CB 3.74Å; V132-A192 HydrophobicContact CG2-CB 3.88Å; A138-A192 HydrophobicContact CB-CB 4.28Å; L139-A192 CarbonylContact O-C 3.59Å; L139-A192 WeakPolarHBondContact O-CA 3.07Å; V140-A192 HydrophobicContact CG2-CB 3.97Å; A192-S198 CarbonylContact O-C 3.51Å; A192-S198 WeakPolarHBondContact O-CA 3.3Å; A192-S198 WeakPolarHBondContact O-CB 3.46Å; A192-S198 PolarHBondContact O-OG 3.3Å; A192-V199 HydrophobicContact CB-CG1 3.98Å; A192-V199 PolarHBondContact N-O 2.84Å; A192-V199 PolarHBondContact O-N 3.32Å
193	R	97.8	Very high	97.6	Very high	145 Å²	145	43.7 Å²	43.7	55%	0.547	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.2	-178.7	-173.5	176.7	-58	-79.3	-5.4	112.6	A138 L139 G197 S198	A138-R193 CarbonylContact C-O 3.59Å; A138-R193 VanDerWaalsContact CA-O 3.25Å; A138-R193 WeakPolarHBondContact CA-O 3.03Å; A138-R193 WeakPolarHBondContact CB-O 3.28Å; L139-R193 PolarHBondContact N-O 2.84Å; L139-R193 PolarHBondContact O-N 3.37Å; R193-G197 WeakPolarHBondContact CA-O 3.3Å; R193-S198 VanDerWaalsContact CZ-CB 3.49Å; R193-S198 PolarHBondContact NH2-OG 3.42Å
194	N	97	Very high	97.8	Very high	21 Å²	21	43.9 Å²	43.9	11%	0.112	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	-173.9	162.1	74.2	6.8	0	0	0	109.8	T107 P109 P136 A138 L196 G197	T107-N194 PolarHBondContact O-ND2 3.4Å; P109-N194 WeakPolarHBondContact CD-OD1 3.45Å; P109-N194 HydrophobicContact CG-CB 4.16Å; P136-N194 PolarHBondContact O-ND2 2.04Å; A138-N194 HydrophobicContact CB-CB 4.47Å; N194-L196 PolarHBondContact O-N 2.87Å; N194-L196 WeakPolarHBondContact OD1-CA 3.04Å; N194-L196 WeakPolarHBondContact OD1-CB 3.45Å; N194-L196 PolarHBondContact OD1-N 3.43Å; N194-G197 PolarHBondContact N-O 3.26Å; N194-G197 PolarHBondContact O-N 2.03Å; N194-G197 PolarHBondContact OD1-N 2.75Å
195	E	97.6	Very high	97.9	Very high	131 Å²	131	43.6 Å²	43.6	61%	0.612	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.2	-179.4	62.3	-178.1	168.4	0	0	114.7	R106 P136	R106-E195 IonicContact CZ-OE1 3.3Å; R106-E195 IonicContact NH1-OE1 3.45Å; R106-E195 PolarHBondContact NH1-OE1 2.82Å; R106-E195 IonicContact NH2-OE1 3.51Å; R106-E195 PolarHBondContact NH2-OE1 2.9Å; R106-E195 IonicContact NH2-OE2 3.61Å; P136-E195 VanDerWaalsContact CG-OE1 3.31Å; P136-E195 WeakPolarHBondContact CG-OE1 3.3Å
196	L	97.6	Very high	97.9	Very high	73 Å²	73	42.5 Å²	42.5	38%	0.382	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.1	179.1	-62.5	103.8	0	0	0	113	R106 A108 N194	R106-L196 HydrophobicContact CB-CD1 4.38Å; R106-L196 HydrophobicContact CB-CD2 4Å; A108-L196 HydrophobicContact CB-CB 3.94Å; N194-L196 PolarHBondContact O-N 2.87Å; N194-L196 WeakPolarHBondContact OD1-CA 3.04Å; N194-L196 WeakPolarHBondContact OD1-CB 3.45Å; N194-L196 PolarHBondContact OD1-N 3.43Å
197	G	98.1	Very high	98	Very high	26 Å²	26	41.8 Å²	41.8	27%	0.268	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	160	-167.5	179.3	0	0	0	0	0	114.5	P109 R193 N194	P109-G197 WeakPolarHBondContact CD-O 3.4Å; R193-G197 WeakPolarHBondContact CA-O 3.3Å; N194-G197 PolarHBondContact N-O 3.26Å; N194-G197 PolarHBondContact O-N 2.03Å; N194-G197 PolarHBondContact OD1-N 2.75Å
198	S	98.1	Very high	97.8	Very high	52 Å²	52	42.5 Å²	42.5	36%	0.364	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.4	178.8	-174.9	0	0	0	0	110.9	A192 R193	A192-S198 CarbonylContact O-C 3.51Å; A192-S198 WeakPolarHBondContact O-CA 3.3Å; A192-S198 WeakPolarHBondContact O-CB 3.46Å; A192-S198 PolarHBondContact O-OG 3.3Å; R193-S198 VanDerWaalsContact CZ-CB 3.49Å; R193-S198 PolarHBondContact NH2-OG 3.42Å
199	V	98.4	Very high	97.4	Very high	45 Å²	45	43.4 Å²	43.4	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.9	176.3	65.7	0	0	0	0	108.3	P109 I111 A192	P109-V199 HydrophobicContact CB-CG1 3.99Å; P109-V199 WeakPolarHBondContact O-CG1 3.48Å; I111-V199 HydrophobicContact CD1-CG1 3.98Å; I111-V199 HydrophobicContact CD1-CG2 4.01Å; I111-V199 HydrophobicContact CG1-CG1 3.69Å; I111-V199 HydrophobicContact CG1-CG2 4.19Å; A192-V199 HydrophobicContact CB-CG1 3.98Å; A192-V199 PolarHBondContact N-O 2.84Å; A192-V199 PolarHBondContact O-N 3.32Å
200	S	98	Very high	96.3	Very high	67 Å²	67	45 Å²	45	47%	0.469	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.3	174.2	60.1	0	0	0	0	111.6	C190	C190-S200 CarbonylContact O-C 3.51Å; C190-S200 WeakPolarHBondContact O-CA 3.47Å; C190-S200 VanDerWaalsContact O-CB 3.28Å; C190-S200 WeakPolarHBondContact O-CB 3.37Å
201	A	98.4	Very high	94.7	Very high	19 Å²	19	47.9 Å²	47.9	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.1	169.4	0	0	0	0	0	109.1	I111 A114 R189 C190	I111-A201 HydrophobicContact CD1-CB 3.47Å; I111-A201 VanDerWaalsContact CD1-CB 3.47Å; I111-A201 HydrophobicContact CG2-CB 4.35Å; A114-A201 HydrophobicContact CB-CB 3.81Å; R189-A201 CarbonylContact C-O 3.55Å; R189-A201 WeakPolarHBondContact CA-O 3.46Å; C190-A201 PolarHBondContact N-O 3.33Å; C190-A201 PolarHBondContact O-N 3.14Å
202	S	98.2	Very high	92.9	Very high	50 Å²	50	52 Å²	52	35%	0.35	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.7	-173.5	-73	0	0	0	0	111.6	Y188 R189	Y188-S202 CarbonylContact O-C 3.36Å; Y188-S202 WeakPolarHBondContact O-CA 3.03Å; R189-S202 WeakPolarHBondContact CG-OG 3.32Å; R189-S202 PolarHBondContact NE-OG 3.29Å
203	A	98.5	Very high	90.9	Very high	1 Å²	1	56 Å²	56	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149	170	0	0	0	0	0	110.6	P115 Q116 D117 F128 T187 Y188	P115-A203 HydrophobicContact CB-CB 3.67Å; P115-A203 HydrophobicContact CG-CB 4.02Å; Q116-A203 WeakPolarHBondContact O-CB 3.13Å; D117-A203 VanDerWaalsContact OD1-CA 3.25Å; D117-A203 WeakPolarHBondContact OD1-CA 3.45Å; F128-A203 HydrophobicContact CD1-CB 3.82Å; F128-A203 HydrophobicContact CE1-CB 3.74Å; T187-A203 CarbonylContact C-O 3.59Å; T187-A203 WeakPolarHBondContact CA-O 3.48Å; Y188-A203 PolarHBondContact N-O 3.3Å; Y188-A203 PolarHBondContact O-N 3.32Å
204	V	98.4	Very high	88.7	Confident	72 Å²	72	57 Å²	57	44%	0.436	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.6	177.8	-177.6	0	0	0	0	109.8	D117 Q118	D117-V204 CarbonylContact C-O 3.57Å; D117-V204 VanDerWaalsContact CA-O 3.31Å; D117-V204 WeakPolarHBondContact CA-O 3Å; D117-V204 PolarHBondContact OD1-N 3.25Å; Q118-V204 PolarHBondContact N-O 2.04Å
205	L	98.1	Very high	86.6	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.8	168.5	-177.2	56	0	0	0	109.9	Q118 M126 F128 I177 D184 S185 G186 Y188 V207	Q118-L205 HydrophobicContact CB-CD1 4.26Å; Q118-L205 WeakPolarHBondContact O-CA 3.48Å; M126-L205 HydrophobicContact CB-CD1 4.47Å; M126-L205 HydrophobicContact CE-CD1 3.29Å; M126-L205 HydrophobicContact CG-CD1 3.92Å; M126-L205 HydrophobicContact CG-CD2 4.33Å; M126-L205 HydrophobicContact SD-CD1 4.27Å; F128-L205 HydrophobicContact CE2-CD2 4.4Å; F128-L205 HydrophobicContact CZ-CB 3.91Å; F128-L205 HydrophobicContact CZ-CD1 4.17Å; F128-L205 HydrophobicContact CZ-CD2 4.49Å; F128-L205 HydrophobicContact CZ-CG 4.4Å; I177-L205 HydrophobicContact CD1-CD2 3.62Å; D184-L205 HydrophobicContact CB-CD2 4.09Å; S185-L205 VanDerWaalsContact CA-O 3.24Å; S185-L205 WeakPolarHBondContact CA-O 2.99Å; G186-L205 PolarHBondContact N-O 3.15Å; G186-L205 PolarHBondContact O-N 2.94Å; Y188-L205 HydrophobicContact CD2-CB 3.95Å; Y188-L205 HydrophobicContact CE2-CB 3.68Å; Y188-L205 HydrophobicContact CE2-CD2 3.73Å; Y188-L205 HydrophobicContact CE2-CG 4.36Å; L205-V207 HydrophobicContact CD1-CG2 4.16Å; L205-V207 HydrophobicContact CD2-CG2 4.07Å; L205-V207 HydrophobicContact CG-CG2 3.91Å
206	G	97.8	Very high	84.1	Confident	19 Å²	19	61.2 Å²	61.2	20%	0.196	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.4	164.2	0	0	0	0	0	111	Q118 V119 N120	Q118-G206 PolarHBondContact O-N 2.93Å; V119-G206 VanDerWaalsContact CA-O 3.23Å; V119-G206 WeakPolarHBondContact CA-O 3.38Å; N120-G206 PolarHBondContact N-O 2.81Å
207	V	97.4	Very high	81.6	Confident	10 Å²	10	61.4 Å²	61.4	6%	0.061	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.8	174.5	-174.4	0	0	0	0	109.5	N120 A180 E181 D184 S185 L205	N120-V207 CarbonylContact O-C 3.54Å; N120-V207 VanDerWaalsContact O-CA 3.32Å; N120-V207 WeakPolarHBondContact O-CA 3.3Å; A180-V207 HydrophobicContact CB-CG1 4.3Å; A180-V207 HydrophobicContact CB-CG2 3.97Å; E181-V207 WeakPolarHBondContact O-CB 3.37Å; E181-V207 WeakPolarHBondContact O-CG2 3.01Å; D184-V207 HydrophobicContact CB-CG2 4.37Å; S185-V207 PolarHBondContact OG-N 2.72Å; L205-V207 HydrophobicContact CD1-CG2 4.16Å; L205-V207 HydrophobicContact CD2-CG2 4.07Å; L205-V207 HydrophobicContact CG-CG2 3.91Å
208	L	94.9	Very high	78.8	Confident	56 Å²	56	64.5 Å²	64.5	29%	0.293	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	139.6	179.2	-60.5	180	0	0	0	110.5	V119 N120 S122 E212 T213	V119-L208 HydrophobicContact CG1-CD1 4.18Å; V119-L208 HydrophobicContact CG1-CD2 4.45Å; V119-L208 HydrophobicContact CG1-CG 4.05Å; N120-L208 PolarHBondContact O-N 2.9Å; S122-L208 PolarHBondContact N-O 2.82Å; S122-L208 PolarHBondContact OG-O 2.93Å; L208-E212 HydrophobicContact CB-CB 4.15Å; L208-E212 HydrophobicContact CD2-CB 4.33Å; L208-T213 HydrophobicContact CB-CG2 4.31Å; L208-T213 HydrophobicContact CD1-CG2 4.24Å
209	G	89.7	Confident	75.9	Confident	21 Å²	21	71.2 Å²	71.2	22%	0.216	47%	0.473	C	S	.	.			trans	-70.4	167.3	173	0	0	0	0	0	112	G211 E212	G209-G211 PolarHBondContact O-N 3.11Å; G209-E212 PolarHBondContact N-OE2 3.36Å; G209-E212 PolarHBondContact O-N 2.79Å; G209-E212 VanDerWaalsContact O-N 3.17Å
210	A	73.4	Confident	73	Confident	106 Å²	106	76 Å²	76	88%	0.876	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-0.2	-178.2	0	0	0	0	0	115.9
211	G	65.5	Low	70	Confident	61 Å²	61	83.7 Å²	83.7	63%	0.629	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-4.9	178.9	0	0	0	0	0	115.9	G209	G209-G211 PolarHBondContact O-N 3.11Å
212	E	60.2	Low	66.9	Low	116 Å²	116	86.1 Å²	86.1	54%	0.542	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-10.7	-168.7	-70.5	175	151.1	0	0	114.1	L208 G209 H214	L208-E212 HydrophobicContact CB-CB 4.15Å; L208-E212 HydrophobicContact CD2-CB 4.33Å; G209-E212 PolarHBondContact N-OE2 3.36Å; G209-E212 PolarHBondContact O-N 2.79Å; G209-E212 VanDerWaalsContact O-N 3.17Å; E212-H214 PolarHBondContact O-N 2.72Å
213	T	55.1	Low	64	Low	83 Å²	83	92.6 Å²	92.6	51%	0.509	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.2	-3	-178.4	46.6	0	0	0	0	114.6	L208	L208-T213 HydrophobicContact CB-CG2 4.31Å; L208-T213 HydrophobicContact CD1-CG2 4.24Å
214	H	52.9	Low	61.2	Low	167 Å²	167	101.3 Å²	101.3	77%	0.773	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	0	-175.1	-81.7	-72.4	0	0	0	116.3	E212 G216	E212-H214 PolarHBondContact O-N 2.72Å; H214-G216 PolarHBondContact O-N 3.39Å
215	L	52.2	Low	58	Low	154 Å²	154	101.1 Å²	101.1	81%	0.806	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	17.2	-171.9	-79.3	157.9	0	0	0	115.6
216	G	46	Very low	55	Low	86 Å²	86	109.4 Å²	109.4	89%	0.887	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	1	179.7	0	0	0	0	0	116.5	H214	H214-G216 PolarHBondContact O-N 3.39Å
217	G	44.4	Very low	51.9	Low	76 Å²	76	115 Å²	115	78%	0.784	69%	0.693	S	S	*	*			trans	-138.8	67.9	-172.1	0	0	0	0	0	113.6
218	A	39.4	Very low	48.8	Very low	92 Å²	92	122.2 Å²	122.2	76%	0.76	73%	0.732	S	S	*	*			trans	-121.7	112.4	167.1	0	0	0	0	0	109.8	V220	A218-V220 PolarHBondContact O-N 2.84Å
219	E	36.3	Very low	45.8	Very low	192 Å²	192	128.7 Å²	128.7	90%	0.897	76%	0.76	S	S	*	*			trans	-44.6	126.6	172.6	-99.3	160.7	121.7	0	0	113.1	R221	E219-R221 VanDerWaalsContact C-N 3.34Å; E219-R221 PolarHBondContact O-N 3.06Å
220	V	38	Very low	43.2	Very low	145 Å²	145	136.7 Å²	136.7	88%	0.879	79%	0.792	S	S	*	*			trans	-71.2	91.4	165.4	-179.4	0	0	0	0	108.1	A218 G222	A218-V220 PolarHBondContact O-N 2.84Å; V220-G222 PolarHBondContact O-N 3.49Å
221	R	34.3	Very low	41.5	Very low	230 Å²	230	139.8 Å²	139.8	87%	0.868	79%	0.794	S	S	*	*			trans	-77.4	104.4	163.6	-114.8	177.5	179.1	163.8	1	108.4	E219 H223	E219-R221 VanDerWaalsContact C-N 3.34Å; E219-R221 PolarHBondContact O-N 3.06Å; R221-H223 PolarHBondContact O-N 2.03Å
222	G	35.2	Very low	39.8	Very low	69 Å²	69	140.5 Å²	140.5	71%	0.711	80%	0.802	S	S	*	*			trans	-62.1	122.1	173.1	0	0	0	0	0	111.2	V220	V220-G222 PolarHBondContact O-N 3.49Å
223	H	37.1	Very low	38.6	Very low	186 Å²	186	143.8 Å²	143.8	86%	0.861	81%	0.814	S	S	*	*			trans	-113	111.7	159.5	-99.1	-59.5	0	0	0	109	R221 G225	R221-H223 PolarHBondContact O-N 2.03Å; H223-G225 PolarHBondContact O-N 2.04Å
224	H	38.8	Very low	37.6	Very low	185 Å²	185	146.5 Å²	146.5	86%	0.856	83%	0.83	S	S	*	*			trans	-59.3	117.4	165.4	-118.7	33.6	0	0	0	109.4
225	G	30.9	Very low	36.8	Very low	67 Å²	67	148.6 Å²	148.6	69%	0.691	83%	0.832	S	S	*	*			trans	-132.8	101.7	167.2	0	0	0	0	0	108.3	H223	H223-G225 PolarHBondContact O-N 2.04Å
226	Q	35.1	Very low	35.9	Very low	176 Å²	176	150.2 Å²	150.2	82%	0.822	84%	0.835	S	S	*	*			trans	-65.5	129.3	176.1	-70.3	166.8	-15.5	0	0	109.9
227	T	33.7	Very low	35.6	Very low	136 Å²	136	151.6 Å²	151.6	83%	0.834	83%	0.831	S	S	*	*			trans	-113.8	124	162.6	38.5	0	0	0	0	109.4
228	N	31.4	Very low	35.1	Very low	162 Å²	162	151.5 Å²	151.5	87%	0.866	83%	0.83	S	S	*	*			trans	-61.4	135.6	178.3	-67.1	-39.5	0	0	0	110.6
229	Q	32.7	Very low	35.1	Very low	192 Å²	192	153.3 Å²	153.3	90%	0.897	84%	0.837	S	S	*	*			trans	-92.7	114.1	176	-170.9	141.3	31.9	0	0	108.6
230	E	35.6	Very low	35.7	Very low	190 Å²	190	148.9 Å²	148.9	89%	0.888	83%	0.834	S	S	*	*			trans	-84.4	140.3	168	-80.9	-174.1	147.7	0	0	110.9
231	D	35.9	Very low	36.2	Very low	170 Å²	170	147.8 Å²	147.8	91%	0.909	83%	0.829	S	S	*	*			trans	-59.1	143.6	-178.1	-73.7	-65.3	0	0	0	114.6
232	G	31.8	Very low	36.8	Very low	77 Å²	77	142.3 Å²	142.3	79%	0.794	83%	0.826	S	S	*	*			trans	-164.2	58.5	173.2	0	0	0	0	0	112.6	V234	G232-V234 PolarHBondContact O-N 3.07Å
233	K	33.1	Very low	37.3	Very low	184 Å²	184	150.4 Å²	150.4	80%	0.8	85%	0.853	S	S	*	*			trans	-72.6	112.1	178.1	-179.3	173.2	-173.7	169.8	0	111.3
234	V	34.7	Very low	37.3	Very low	141 Å²	141	148.6 Å²	148.6	86%	0.855	85%	0.853	S	S	*	*			trans	-97	123.9	157.5	179.6	0	0	0	0	108.3	G232	G232-V234 PolarHBondContact O-N 3.07Å
235	R	35.7	Very low	37.3	Very low	211 Å²	211	146.7 Å²	146.7	80%	0.796	85%	0.853	S	S	*	*			trans	-80	138.9	174.8	-68.2	176.1	173.4	-156	-2.2	109.1
236	E	34.8	Very low	37.6	Very low	187 Å²	187	151.1 Å²	151.1	87%	0.874	86%	0.862	S	S	*	*			trans	-145.6	121.1	141.1	-113.3	171.4	179.8	0	0	110.2
237	S	38.6	Very low	37.8	Very low	115 Å²	115	149.6 Å²	149.6	80%	0.804	86%	0.864	S	S	*	*			trans	-47.4	144.6	160.7	40.7	0	0	0	0	111.4
238	G	35	Very low	38	Very low	75 Å²	75	150.5 Å²	150.5	77%	0.773	87%	0.866	S	S	*	*			cis	120.3	109	27.1	0	0	0	0	0	108.3
239	S	38.4	Very low	38.5	Very low	129 Å²	129	149.7 Å²	149.7	90%	0.902	87%	0.866	S	S	*	*			trans	-174.5	132.4	149	52	0	0	0	0	110.4
240	A	49.2	Very low	38.9	Very low	100 Å²	100	146.7 Å²	146.7	83%	0.826	86%	0.864	S	S	*	*			trans	-89.9	-179.7	-168.3	0	0	0	0	0	112.8
241	P	48.5	Very low	39.1	Very low	121 Å²	121	143.4 Å²	143.4	79%	0.786	86%	0.862	S	S	*	*			trans	-97.5	171.7	-163.9	40.4	-35.2	0	0	0	113.9
242	S	46.6	Very low	39.4	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	86%	0.858	S	S	*	*			trans	161.1	131.8	153.4	-61	0	0	0	0	105.7
243	D	46.6	Very low	40.1	Very low	239 Å²	239	147 Å²	147	100%	1.278	86%	0.864	S	S	*	*			cis	-138.3	0	18.4	-87.6	-46	0	0	0	110

Retrieved 243 of 243 residues in 488.8 ms (Link to these results)

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