A0A087YK90_POEFO Loading...

Junctional adhesion molecule 3b

AlphaFold DB , UniProt , Accession A0A087YK90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 233 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	H	37.3	Very low	38.4	Very low	241 Å²	241	171.6 Å²	171.6	100%	1.116	85%	0.854	S	S	*	*				0	133.4	0	-102.8	-77.1	0	0	0	109.7
2	K	35.7	Very low	38.7	Very low	188 Å²	188	171.4 Å²	171.4	82%	0.817	86%	0.856	S	S	*	*			trans	81.9	84.2	168.8	-55.3	-177.3	-179.2	-176.6	0	115.3
3	F	32.2	Very low	38.7	Very low	210 Å²	210	170.6 Å²	170.6	92%	0.921	86%	0.855	S	S	*	*				60.1	105	86.6	-87	-86.4	0	0	0	115.2
4	L	42.6	Very low	39	Very low	165 Å²	165	164.9 Å²	164.9	86%	0.864	84%	0.839	S	S	*	*			trans	-79.2	152.6	159.6	-90.5	103.3	0	0	0	110.9
5	P	42.8	Very low	39.3	Very low	120 Å²	120	164.7 Å²	164.7	78%	0.779	84%	0.84	S	S	*	*			trans	-131.5	118.7	136.3	28.7	-12	0	0	0	110.8
6	R	37.8	Very low	39.5	Very low	235 Å²	235	165.3 Å²	165.3	89%	0.887	84%	0.838	S	S	*	*				61.8	103.2	85.7	-96.4	-178.2	176.5	167.9	-1.3	114.5
7	C	36.7	Very low	39.8	Very low	120 Å²	120	160.5 Å²	160.5	81%	0.811	83%	0.829	S	S	*	*			trans	-60.9	120.7	172	-164.7	0	0	0	0	111	T9	C7-T9 PolarHBondContact O-N 3.05Å
8	C	37.3	Very low	40	Very low	122 Å²	122	154.4 Å²	154.4	82%	0.824	81%	0.812	S	S	*	*			trans	-72.6	102.8	171.4	-79.1	0	0	0	0	109.7
9	T	42.5	Very low	40.4	Very low	108 Å²	108	157.6 Å²	157.6	66%	0.663	81%	0.814	S	S	*	*			trans	-91.6	118.5	162.9	33.3	0	0	0	0	108.1	C7 F11	C7-T9 PolarHBondContact O-N 3.05Å; T9-F11 PolarHBondContact O-N 2.72Å; T9-F11 VanDerWaalsContact O-N 3.12Å
10	H	36.3	Very low	41	Very low	191 Å²	191	159.7 Å²	159.7	88%	0.884	82%	0.817	S	S	*	*			trans	-65.9	105.5	170.7	-86.2	-79.8	0	0	0	109
11	F	41.5	Very low	41.6	Very low	188 Å²	188	155.4 Å²	155.4	83%	0.825	80%	0.801	S	S	*	*			trans	-79.7	114.4	163.5	-101.2	-93.7	0	0	0	108.6	T9 L13	T9-F11 PolarHBondContact O-N 2.72Å; T9-F11 VanDerWaalsContact O-N 3.12Å; F11-L13 PolarHBondContact O-N 3.39Å; F11-L13 VanDerWaalsContact O-N 3.15Å
12	L	41.5	Very low	42.5	Very low	169 Å²	169	147.5 Å²	147.5	89%	0.885	78%	0.777	S	S	*	*			trans	-62.1	107.6	163.4	-81.4	151.8	0	0	0	108	S14	L12-S14 PolarHBondContact O-N 3.35Å; L12-S14 VanDerWaalsContact O-N 3.09Å
13	L	38.6	Very low	44.4	Very low	161 Å²	161	142.7 Å²	142.7	84%	0.843	76%	0.76	S	S	*	*			trans	-67.7	100.3	165.4	-90.4	142.2	0	0	0	107.7	F11 L15	F11-L13 PolarHBondContact O-N 3.39Å; F11-L13 VanDerWaalsContact O-N 3.15Å; L13-L15 PolarHBondContact O-N 2.92Å
14	S	43.2	Very low	47.1	Very low	90 Å²	90	133.9 Å²	133.9	63%	0.629	73%	0.727	S	S	*	*			trans	-67.2	104.8	165.2	65.6	0	0	0	0	108.1	L12 H16	L12-S14 PolarHBondContact O-N 3.35Å; L12-S14 VanDerWaalsContact O-N 3.09Å; S14-H16 PolarHBondContact O-N 2.81Å
15	L	43.1	Very low	49.6	Very low	162 Å²	162	126 Å²	126	85%	0.848	69%	0.685	S	S	*	*			trans	-64.3	87.2	163.1	-84	147	0	0	0	108.2	L13 A17	L13-L15 PolarHBondContact O-N 2.92Å; L15-A17 PolarHBondContact O-N 2.88Å; L15-A17 VanDerWaalsContact O-N 3.09Å
16	H	42.8	Very low	52.2	Low	175 Å²	175	122.5 Å²	122.5	81%	0.81	66%	0.661	S	S	*	*			trans	-77.9	79.3	152	-75.7	-26.7	0	0	0	107	S14 G18	S14-H16 PolarHBondContact O-N 2.81Å; H16-G18 PolarHBondContact O-N 2.83Å
17	A	44.6	Very low	55	Low	83 Å²	83	111.9 Å²	111.9	69%	0.686	62%	0.622	S	S	*	*			trans	-62.9	85.6	152.8	0	0	0	0	0	105.9	L15 Y19	L15-A17 PolarHBondContact O-N 2.88Å; L15-A17 VanDerWaalsContact O-N 3.09Å; A17-Y19 PolarHBondContact O-N 3.02Å
18	G	44.1	Very low	57.9	Low	51 Å²	51	111.2 Å²	111.2	53%	0.526	61%	0.606	S	S	.	*			trans	-55	112.4	167.1	0	0	0	0	0	106.4	H16 F20	H16-G18 PolarHBondContact O-N 2.83Å; G18-F20 VanDerWaalsContact C-N 3.32Å; G18-F20 PolarHBondContact O-N 2.87Å
19	Y	47.5	Very low	60.8	Low	215 Å²	215	106.3 Å²	106.3	84%	0.843	57%	0.572	S	S	*	*			trans	-56.2	102.2	168.3	-124.8	-100.8	0	0	0	105.8	A17 S21	A17-Y19 PolarHBondContact O-N 3.02Å; Y19-S21 PolarHBondContact O-N 3.01Å
20	F	51.9	Low	63.4	Low	199 Å²	199	105.6 Å²	105.6	87%	0.873	57%	0.571	S	S	*	*			trans	-71.9	77.7	167.8	-87.1	-89.6	0	0	0	106.7	G18 A22	G18-F20 VanDerWaalsContact C-N 3.32Å; G18-F20 PolarHBondContact O-N 2.87Å; F20-A22 PolarHBondContact O-N 2.81Å
21	S	53.2	Low	66.3	Low	70 Å²	70	101.6 Å²	101.6	49%	0.49	55%	0.553	S	S	.	*			trans	-56.7	126	163.3	-47.1	0	0	0	0	106.5	Y19 L23	Y19-S21 PolarHBondContact O-N 3.01Å; S21-L23 VanDerWaalsContact O-CG 3.3Å; S21-L23 WeakPolarHBondContact O-CG 3.38Å; S21-L23 PolarHBondContact O-N 2.83Å
22	A	57.6	Low	68.9	Low	75 Å²	75	98.1 Å²	98.1	62%	0.62	54%	0.54	S	S	*	.			trans	-56.8	111.3	-177.1	0	0	0	0	0	110.9	F20 A24	F20-A22 PolarHBondContact O-N 2.81Å; A22-A24 PolarHBondContact O-N 2.89Å
23	L	73.8	Confident	71.6	Confident	87 Å²	87	96.6 Å²	96.6	46%	0.455	53%	0.526	S	S	.	.			trans	-90.9	55.8	-170.6	-62.9	174.3	0	0	0	112.2	S21 A116 K117	S21-L23 VanDerWaalsContact O-CG 3.3Å; S21-L23 WeakPolarHBondContact O-CG 3.38Å; S21-L23 PolarHBondContact O-N 2.83Å; L23-A116 HydrophobicContact CB-CB 3.61Å; L23-A116 HydrophobicContact CD1-CB 4.24Å; L23-A116 WeakPolarHBondContact O-CA 3.42Å; L23-A116 VanDerWaalsContact O-CB 3.28Å; L23-A116 WeakPolarHBondContact O-CB 3.13Å; L23-A116 PolarHBondContact O-N 3.49Å; L23-K117 PolarHBondContact O-N 2.76Å
24	A	89.9	Confident	74.5	Confident	26 Å²	26	89.2 Å²	89.2	22%	0.215	49%	0.488	C	S	.	.	B	Isolated β-bridge	trans	-148.4	134.6	178.9	0	0	0	0	0	111.9	A22 V26 S50 K117	A22-A24 PolarHBondContact O-N 2.89Å; A24-V26 HydrophobicContact CB-CG2 4.33Å; A24-V26 PolarHBondContact O-N 2.75Å; A24-S50 CarbonylContact O-C 3.56Å; A24-S50 PolarHBondContact O-OG 2.84Å; A24-K117 HydrophobicContact CB-CB 3.74Å; A24-K117 HydrophobicContact CB-CD 4.35Å
25	V	95.6	Very high	77.1	Confident	0 Å²	0	87.7 Å²	87.7	0%	0	48%	0.477	C	S	.	.			trans	-71.2	126.7	161.9	67.6	0	0	0	0	109.3	L27 S50 I51 V110 A112 D115 K117 F119 D120	V25-L27 HydrophobicContact CG2-CD2 4.34Å; V25-S50 WeakPolarHBondContact CA-O 3.33Å; V25-I51 HydrophobicContact CG2-CD1 4.35Å; V25-V110 HydrophobicContact CG2-CB 4.19Å; V25-V110 HydrophobicContact CG2-CG1 3.85Å; V25-A112 HydrophobicContact CB-CB 3.8Å; V25-A112 HydrophobicContact CG1-CB 4.14Å; V25-A112 HydrophobicContact CG2-CB 4.29Å; V25-D115 PolarHBondContact N-OD2 3.46Å; V25-K117 WeakPolarHBondContact CG1-O 3.47Å; V25-K117 PolarHBondContact N-O 3.09Å; V25-K117 VanDerWaalsContact N-O 3.08Å; V25-F119 VanDerWaalsContact CG1-C 3.49Å; V25-D120 HydrophobicContact CG1-CB 3.85Å
26	V	96.3	Very high	79.7	Confident	45 Å²	45	80.5 Å²	80.5	27%	0.273	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.4	177.6	-179.6	0	0	0	0	108.7	A24 E49 S50 D120	A24-V26 HydrophobicContact CB-CG2 4.33Å; A24-V26 PolarHBondContact O-N 2.75Å; V26-E49 HydrophobicContact CB-CB 4.43Å; V26-E49 HydrophobicContact CG1-CB 4.3Å; V26-E49 PolarHBondContact O-N 3.08Å; V26-S50 WeakPolarHBondContact CB-OG 3.38Å; V26-S50 VanDerWaalsContact CG2-OG 3.28Å; V26-S50 WeakPolarHBondContact CG2-OG 3.32Å; V26-S50 PolarHBondContact N-O 2.99Å; V26-D120 WeakPolarHBondContact CA-OD2 3.4Å
27	L	97.5	Very high	82.3	Confident	13 Å²	13	74.3 Å²	74.3	7%	0.068	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151	178.2	-58.3	-177.6	0	0	0	111.6	V25 L47 I48 V110 D120 I122	V25-L27 HydrophobicContact CG2-CD2 4.34Å; L27-L47 CarbonylContact C-O 3.43Å; L27-L47 VanDerWaalsContact CA-O 3.29Å; L27-L47 WeakPolarHBondContact CA-O 3.29Å; L27-I48 HydrophobicContact CD2-CB 4.29Å; L27-I48 HydrophobicContact CD2-CG1 3.71Å; L27-I48 HydrophobicContact CD2-CG2 4.49Å; L27-V110 HydrophobicContact CD1-CB 3.94Å; L27-V110 HydrophobicContact CD1-CG2 3.68Å; L27-V110 HydrophobicContact CD2-CB 3.93Å; L27-V110 HydrophobicContact CD2-CG2 3.61Å; L27-V110 HydrophobicContact CG-CB 4.36Å; L27-V110 HydrophobicContact CG-CG2 4.24Å; L27-D120 HydrophobicContact CD1-CB 4.3Å; L27-D120 VanDerWaalsContact CD1-O 3.27Å; L27-D120 WeakPolarHBondContact CD1-O 3.44Å; L27-D120 HydrophobicContact CG-CB 4.04Å; L27-D120 PolarHBondContact N-OD2 2.74Å; L27-I122 HydrophobicContact CB-CG2 3.84Å
28	K	97.3	Very high	84.9	Confident	106 Å²	106	72 Å²	72	46%	0.461	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.5	172.7	-177.2	172.6	-179.8	-180	0	111.2	L47 E49	K28-L47 PolarHBondContact N-O 2.81Å; K28-L47 WeakPolarHBondContact O-CA 3.46Å; K28-L47 VanDerWaalsContact O-CB 3.3Å; K28-L47 WeakPolarHBondContact O-CB 3.33Å; K28-L47 PolarHBondContact O-N 2.88Å; K28-E49 HydrophobicContact CB-CG 3.89Å; K28-E49 HydrophobicContact CD-CG 4.39Å; K28-E49 WeakPolarHBondContact CD-OE1 3.4Å; K28-E49 IonicContact NZ-OE1 3.41Å; K28-E49 PolarHBondContact NZ-OE1 2.63Å
29	T	97.8	Very high	87.4	Confident	18 Å²	18	75.8 Å²	75.8	11%	0.11	39%	0.39	C	S	.	.			trans	-105.4	149.1	165.1	-179.8	0	0	0	0	110.6	E31 E32 S45	T29-E31 VanDerWaalsContact C-N 3.33Å; T29-E31 PolarHBondContact OG1-N 3.33Å; T29-E31 PolarHBondContact OG1-O 3.07Å; T29-E32 HydrophobicContact CG2-CB 4.48Å; T29-E32 HydrophobicContact CG2-CG 3.63Å; T29-S45 WeakPolarHBondContact CA-O 3.43Å; T29-S45 WeakPolarHBondContact CB-O 3.28Å; T29-S45 PolarHBondContact OG1-O 2.91Å; T29-S45 PolarHBondContact OG1-OG 3.4Å; T29-S45 VanDerWaalsContact OG1-OG 3.09Å
30	S	96.6	Very high	89.8	Confident	94 Å²	94	69.3 Å²	69.3	66%	0.657	37%	0.37	S	S	*	.	S	Bend	trans	-74	-27.4	167.6	63.4	0	0	0	0	112.4	S45	S30-S45 WeakPolarHBondContact CB-OG 3.35Å; S30-S45 PolarHBondContact N-OG 3.13Å; S30-S45 WeakPolarHBondContact OG-CB 3.37Å; S30-S45 PolarHBondContact OG-OG 3.41Å
31	E	97.3	Very high	92	Very high	107 Å²	107	66.5 Å²	66.5	50%	0.5	35%	0.353	S	S	.	.			trans	-150.8	122.6	-177.9	-171.9	165	-146	0	0	110.5	T29 P34	T29-E31 VanDerWaalsContact C-N 3.33Å; T29-E31 PolarHBondContact OG1-N 3.33Å; T29-E31 PolarHBondContact OG1-O 3.07Å; E31-P34 HydrophobicContact CG-CB 4.24Å
32	E	97.6	Very high	94.1	Very high	115 Å²	115	63.8 Å²	63.8	54%	0.537	33%	0.334	S	S	.	.	S	Bend	trans	-78.8	-26.6	179	-70.2	-179.2	-177.6	0	0	112.8	T29 P34 D125	T29-E32 HydrophobicContact CG2-CB 4.48Å; T29-E32 HydrophobicContact CG2-CG 3.63Å; E32-P34 VanDerWaalsContact C-CD 3.42Å; E32-P34 WeakPolarHBondContact O-CD 3.49Å; E32-D125 PolarHBondContact O-N 2.93Å
33	F	98.2	Very high	96.1	Very high	137 Å²	137	63.3 Å²	63.3	60%	0.601	32%	0.319	S	S	*	.	S	Bend	trans	-127.8	56.2	-174.2	-56.1	-83.5	0	0	0	112.2	D125	F33-D125 WeakPolarHBondContact CA-O 3.49Å; F33-D125 HydrophobicContact CD1-CB 3.82Å; F33-D125 HydrophobicContact CE1-CB 4.08Å
34	P	98	Very high	97.3	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.039	30%	0.297	C	S	.	.			trans	-65.2	146.3	-178.2	29.1	-34.6	0	0	0	110.6	E31 E32 L44 I124 L126 V127	E31-P34 HydrophobicContact CG-CB 4.24Å; E32-P34 VanDerWaalsContact C-CD 3.42Å; E32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-L44 HydrophobicContact CG-CD2 3.76Å; P34-I124 HydrophobicContact CG-CG2 3.47Å; P34-I124 VanDerWaalsContact CG-CG2 3.47Å; P34-L126 HydrophobicContact CG-CD1 4.26Å; P34-V127 PolarHBondContact O-N 2.84Å
35	S	97.8	Very high	97.6	Very high	57 Å²	57	58.5 Å²	58.5	40%	0.399	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.7	172.1	60.7	0	0	0	0	111.4	V127 R129	S35-V127 VanDerWaalsContact CA-O 3.23Å; S35-V127 WeakPolarHBondContact CA-O 3.03Å; S35-R129 PolarHBondContact OG-NH1 3.21Å
36	T	98.3	Very high	97.7	Very high	12 Å²	12	58.5 Å²	58.5	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.7	175.1	-164.1	0	0	0	0	109.7	N40 R41 V42 A98 L126 V127 V128 R129	T36-N40 WeakPolarHBondContact OG1-CB 3.49Å; T36-R41 PolarHBondContact OG1-O 3.1Å; T36-V42 HydrophobicContact CG2-CB 3.84Å; T36-V42 HydrophobicContact CG2-CG1 4.01Å; T36-V42 HydrophobicContact CG2-CG2 4.31Å; T36-A98 HydrophobicContact CG2-CB 3.83Å; T36-L126 HydrophobicContact CG2-CD1 4.43Å; T36-V127 PolarHBondContact N-O 3.3Å; T36-V127 VanDerWaalsContact N-O 3.09Å; T36-V128 HydrophobicContact CG2-CG1 4.47Å; T36-V128 HydrophobicContact CG2-CG2 4.07Å; T36-V128 CarbonylContact O-C 3.54Å; T36-V128 WeakPolarHBondContact O-CA 3.26Å; T36-R129 PolarHBondContact O-N 3.37Å
37	D	98.4	Very high	97.8	Very high	44 Å²	44	60 Å²	60	24%	0.235	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	153	174.4	-52.1	-31.5	0	0	0	110.2	F39 N40 R129	D37-F39 PolarHBondContact O-N 2.78Å; D37-N40 VanDerWaalsContact O-CB 3.28Å; D37-N40 WeakPolarHBondContact O-CB 3.28Å; D37-N40 PolarHBondContact O-N 2.86Å; D37-R129 CarbonylContact C-O 3.52Å; D37-R129 WeakPolarHBondContact CA-O 3.18Å; D37-R129 IonicContact OD1-CZ 2.97Å; D37-R129 VanDerWaalsContact OD1-CZ 3.27Å; D37-R129 IonicContact OD1-NE 2.65Å; D37-R129 PolarHBondContact OD1-NE 3.28Å; D37-R129 IonicContact OD1-NH2 3.6Å; D37-R129 PolarHBondContact OD1-NH2 2.93Å; D37-R129 IonicContact OD2-NH2 2.7Å
38	E	97.6	Very high	97.7	Very high	34 Å²	34	61.1 Å²	61.1	16%	0.159	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	139.1	178.2	-160.1	169.8	-130.1	0	0	110.8	N40 R100 V128 R129 V130	E38-N40 PolarHBondContact O-N 2.84Å; E38-R100 IonicContact OE1-CZ 3.44Å; E38-R100 PolarHBondContact OE1-N 2.81Å; E38-R100 VanDerWaalsContact OE1-N 3.17Å; E38-R100 IonicContact OE1-NE 3.86Å; E38-R100 PolarHBondContact OE1-NE 3.19Å; E38-R100 VanDerWaalsContact OE1-NE 3.14Å; E38-R100 IonicContact OE1-NH2 3.77Å; E38-R100 IonicContact OE2-NH2 3.9Å; E38-V128 HydrophobicContact CB-CG1 4.22Å; E38-R129 PolarHBondContact N-O 2.96Å; E38-V130 HydrophobicContact CB-CG2 4.48Å
39	F	97.1	Very high	97.6	Very high	131 Å²	131	61.6 Å²	61.6	58%	0.575	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-3.2	-174.5	-41.1	-64	0	0	0	116.3	D37 N97 A98	D37-F39 PolarHBondContact O-N 2.78Å; F39-N97 WeakPolarHBondContact CA-OD1 3.25Å; F39-N97 WeakPolarHBondContact CB-OD1 3.27Å; F39-N97 WeakPolarHBondContact CD1-OD1 3.4Å; F39-A98 WeakPolarHBondContact CA-O 3.34Å; F39-A98 PolarHBondContact N-O 3.36Å
40	N	98.1	Very high	97.3	Very high	80 Å²	80	62.5 Å²	62.5	43%	0.428	31%	0.314	S	S	.	.	S	Bend	trans	-80.5	166.9	173.5	-71.1	-16.7	0	0	0	112.6	T36 D37 E38 N97 A98	T36-N40 WeakPolarHBondContact OG1-CB 3.49Å; D37-N40 VanDerWaalsContact O-CB 3.28Å; D37-N40 WeakPolarHBondContact O-CB 3.28Å; D37-N40 PolarHBondContact O-N 2.86Å; E38-N40 PolarHBondContact O-N 2.84Å; N40-N97 PolarHBondContact O-N 3.45Å; N40-A98 WeakPolarHBondContact O-CB 3.39Å; N40-A98 PolarHBondContact O-N 3.45Å
41	R	98.1	Very high	97.2	Very high	140 Å²	140	60.9 Å²	60.9	53%	0.528	30%	0.297	S	S	.	.			trans	-83.3	144.5	170.4	-179.8	178.7	-176.9	-105.8	-4.5	109.8	T36 E43 V94 I95	T36-R41 PolarHBondContact OG1-O 3.1Å; R41-E43 IonicContact CZ-OE1 3.91Å; R41-E43 IonicContact NH1-OE1 3.15Å; R41-E43 PolarHBondContact NH1-OE1 3.07Å; R41-E43 IonicContact NH2-OE1 3.93Å; R41-E43 PolarHBondContact NH2-OE1 2.02Å; R41-V94 HydrophobicContact CG-CG1 4.19Å; R41-V94 VanDerWaalsContact NH2-CG1 3.34Å; R41-I95 WeakPolarHBondContact CA-O 3.42Å
42	V	98.3	Very high	97	Very high	12 Å²	12	58.3 Å²	58.3	7%	0.073	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.1	171.8	64	0	0	0	0	111	T36 L44 I95 L126	T36-V42 HydrophobicContact CG2-CB 3.84Å; T36-V42 HydrophobicContact CG2-CG1 4.01Å; T36-V42 HydrophobicContact CG2-CG2 4.31Å; V42-L44 HydrophobicContact CG2-CD2 4.22Å; V42-I95 HydrophobicContact CG1-CB 3.96Å; V42-I95 PolarHBondContact N-O 2.86Å; V42-I95 PolarHBondContact O-N 2.51Å; V42-L126 HydrophobicContact CG1-CD1 4.28Å; V42-L126 HydrophobicContact CG1-CD2 4.15Å; V42-L126 HydrophobicContact CG2-CD1 3.91Å
43	E	98.1	Very high	96.8	Very high	66 Å²	66	53.4 Å²	53.4	31%	0.308	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.6	175.8	-56.1	-170	162.7	0	0	109.3	R41 R88 T92 V94	R41-E43 IonicContact CZ-OE1 3.91Å; R41-E43 IonicContact NH1-OE1 3.15Å; R41-E43 PolarHBondContact NH1-OE1 3.07Å; R41-E43 IonicContact NH2-OE1 3.93Å; R41-E43 PolarHBondContact NH2-OE1 2.02Å; E43-R88 IonicContact OE1-NH1 2.9Å; E43-R88 PolarHBondContact OE1-NH1 3.05Å; E43-R88 IonicContact OE2-CZ 3.33Å; E43-R88 IonicContact OE2-NH1 3.97Å; E43-R88 PolarHBondContact OE2-NH1 3.4Å; E43-T92 HydrophobicContact CB-CG2 4.16Å; E43-V94 HydrophobicContact CG-CG1 4.39Å; E43-V94 HydrophobicContact CG-CG2 4.08Å
44	L	98.6	Very high	96.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	102.3	172.5	-49.5	-174.4	0	0	0	107.1	P34 V42 C46 W60 L93 I95 Y106 I124 L126	P34-L44 HydrophobicContact CG-CD2 3.76Å; V42-L44 HydrophobicContact CG2-CD2 4.22Å; L44-C46 PolarHBondContact O-N 3.28Å; L44-W60 HydrophobicContact CB-CH2 3.67Å; L44-W60 HydrophobicContact CB-CZ3 4.01Å; L44-W60 HydrophobicContact CD1-CZ3 4.33Å; L44-W60 WeakPolarHBondContact O-CH2 3.44Å; L44-W60 WeakPolarHBondContact O-CZ2 3.31Å; L44-L93 HydrophobicContact CB-CB 4.38Å; L44-L93 HydrophobicContact CD1-CD2 4.15Å; L44-L93 PolarHBondContact N-O 3.3Å; L44-L93 PolarHBondContact O-N 2.9Å; L44-L93 VanDerWaalsContact O-N 3.09Å; L44-I95 HydrophobicContact CD1-CD1 4.35Å; L44-Y106 HydrophobicContact CD1-CD1 3.91Å; L44-Y106 HydrophobicContact CD1-CD2 3.6Å; L44-Y106 HydrophobicContact CD1-CE1 4.42Å; L44-Y106 HydrophobicContact CD1-CE2 4.16Å; L44-Y106 HydrophobicContact CD1-CG 3.46Å; L44-Y106 VanDerWaalsContact CD1-CG 3.46Å; L44-I124 HydrophobicContact CB-CD1 3.97Å; L44-I124 HydrophobicContact CD2-CG2 4.11Å; L44-L126 HydrophobicContact CD1-CD2 4.49Å; L44-L126 HydrophobicContact CD2-CB 4.18Å; L44-L126 HydrophobicContact CD2-CD1 4.14Å; L44-L126 HydrophobicContact CD2-CD2 4.24Å; L44-L126 HydrophobicContact CD2-CG 4.41Å
45	S	97.8	Very high	96.2	Very high	11 Å²	11	59.6 Å²	59.6	8%	0.077	31%	0.306	C	S	.	.			trans	-75.8	121.8	-170.5	51.7	0	0	0	0	111.6	T29 S30 I122 I124	T29-S45 WeakPolarHBondContact CA-O 3.43Å; T29-S45 WeakPolarHBondContact CB-O 3.28Å; T29-S45 PolarHBondContact OG1-O 2.91Å; T29-S45 PolarHBondContact OG1-OG 3.4Å; T29-S45 VanDerWaalsContact OG1-OG 3.09Å; S30-S45 WeakPolarHBondContact CB-OG 3.35Å; S30-S45 PolarHBondContact N-OG 3.13Å; S30-S45 WeakPolarHBondContact OG-CB 3.37Å; S30-S45 PolarHBondContact OG-OG 3.41Å; S45-I122 WeakPolarHBondContact O-CD1 3.14Å; S45-I124 WeakPolarHBondContact O-CD1 3.35Å
46	C	98.1	Very high	96.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.			trans	-121.8	95.3	168.3	-174.9	0	0	0	0	107.4	L44 W60 A91 C108 I122	L44-C46 PolarHBondContact O-N 3.28Å; C46-W60 HydrophobicContact CB-CH2 4.07Å; C46-W60 HydrophobicContact CB-CZ2 3.44Å; C46-W60 VanDerWaalsContact CB-CZ2 3.44Å; C46-A91 HydrophobicContact CB-CB 4.1Å; C46-C108 HydrophobicContact CB-CB 3.64Å; C46-C108 WeakPolarHBondContact CB-SG 3.38Å; C46-C108 WeakPolarHBondContact SG-CB 3.36Å; C46-C108 CovalentContact SG-SG 2.04Å; C46-C108 PolarHBondContact SG-SG 2.88Å; C46-I122 HydrophobicContact CB-CD1 3.92Å
47	L	97.1	Very high	96	Very high	75 Å²	75	64.1 Å²	64.1	39%	0.393	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.6	-176.4	-51.9	178.5	0	0	0	108.2	L27 K28 E49	L27-L47 CarbonylContact C-O 3.43Å; L27-L47 VanDerWaalsContact CA-O 3.29Å; L27-L47 WeakPolarHBondContact CA-O 3.29Å; K28-L47 PolarHBondContact N-O 2.81Å; K28-L47 WeakPolarHBondContact O-CA 3.46Å; K28-L47 VanDerWaalsContact O-CB 3.3Å; K28-L47 WeakPolarHBondContact O-CB 3.33Å; K28-L47 PolarHBondContact O-N 2.88Å; L47-E49 PolarHBondContact O-N 2.92Å
48	I	95.7	Very high	96	Very high	37 Å²	37	63.2 Å²	63.2	19%	0.19	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	104.3	173.2	-54.9	174.3	0	0	0	106.8	L27 I51 P90 A91 V110	L27-I48 HydrophobicContact CD2-CB 4.29Å; L27-I48 HydrophobicContact CD2-CG1 3.71Å; L27-I48 HydrophobicContact CD2-CG2 4.49Å; I48-I51 HydrophobicContact CG2-CB 3.72Å; I48-I51 HydrophobicContact CG2-CG2 3.62Å; I48-P90 HydrophobicContact CD1-CB 4.1Å; I48-P90 HydrophobicContact CD1-CG 4.04Å; I48-P90 HydrophobicContact CG1-CG 4.29Å; I48-A91 HydrophobicContact CD1-CB 4.41Å; I48-V110 HydrophobicContact CD1-CG1 4.42Å
49	E	94.4	Very high	96	Very high	116 Å²	116	62 Å²	62	54%	0.542	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-38.8	-178.8	-69.5	-162.6	141.8	0	0	111.9	V26 K28 L47	V26-E49 HydrophobicContact CB-CB 4.43Å; V26-E49 HydrophobicContact CG1-CB 4.3Å; V26-E49 PolarHBondContact O-N 3.08Å; K28-E49 HydrophobicContact CB-CG 3.89Å; K28-E49 HydrophobicContact CD-CG 4.39Å; K28-E49 WeakPolarHBondContact CD-OE1 3.4Å; K28-E49 IonicContact NZ-OE1 3.41Å; K28-E49 PolarHBondContact NZ-OE1 2.63Å; L47-E49 PolarHBondContact O-N 2.92Å
50	S	93	Very high	96.1	Very high	38 Å²	38	55.8 Å²	55.8	27%	0.266	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.7	174.3	64.3	0	0	0	0	110.9	A24 V25 V26	A24-S50 CarbonylContact O-C 3.56Å; A24-S50 PolarHBondContact O-OG 2.84Å; V25-S50 WeakPolarHBondContact CA-O 3.33Å; V26-S50 WeakPolarHBondContact CB-OG 3.38Å; V26-S50 VanDerWaalsContact CG2-OG 3.28Å; V26-S50 WeakPolarHBondContact CG2-OG 3.32Å; V26-S50 PolarHBondContact N-O 2.99Å
51	I	94.2	Very high	96.1	Very high	59 Å²	59	53.2 Å²	53.2	30%	0.303	27%	0.265	S	S	.	.			trans	-163.1	144.2	173.5	-173.5	164.6	0	0	0	110	V25 I48 P56 A112	V25-I51 HydrophobicContact CG2-CD1 4.35Å; I48-I51 HydrophobicContact CG2-CB 3.72Å; I48-I51 HydrophobicContact CG2-CG2 3.62Å; I51-P56 HydrophobicContact CD1-CB 3.55Å; I51-P56 HydrophobicContact CD1-CG 3.57Å; I51-A112 HydrophobicContact CD1-CB 3.74Å; I51-A112 HydrophobicContact CG1-CB 3.96Å
52	S	92.9	Very high	96.2	Very high	54 Å²	54	46.7 Å²	46.7	38%	0.378	24%	0.24	S	C	.	.			trans	-105.6	-29.1	172.1	-60.3	0	0	0	0	113.2	I54 D115	S52-I54 PolarHBondContact O-N 3.42Å; S52-D115 PolarHBondContact N-OD1 3.07Å; S52-D115 VanDerWaalsContact N-OD1 3.16Å; S52-D115 PolarHBondContact N-OD2 3.1Å
53	T	93.6	Very high	96.2	Very high	12 Å²	12	47 Å²	47	7%	0.074	24%	0.241	C	C	.	.			trans	-63.5	127.1	177.7	-59.3	0	0	0	0	111.5	N55 A112 A113 D114 D115	T53-N55 PolarHBondContact O-N 2.68Å; T53-A112 VanDerWaalsContact OG1-CA 3.31Å; T53-A112 WeakPolarHBondContact OG1-CA 3.33Å; T53-A112 WeakPolarHBondContact OG1-CB 3.31Å; T53-A112 PolarHBondContact OG1-O 2.9Å; T53-A113 PolarHBondContact OG1-N 2.78Å; T53-D114 WeakPolarHBondContact OG1-CB 3.33Å; T53-D114 PolarHBondContact OG1-N 3.17Å; T53-D115 WeakPolarHBondContact CB-OD1 3.35Å; T53-D115 PolarHBondContact N-OD1 2.83Å; T53-D115 PolarHBondContact OG1-OD1 3.14Å
54	I	91.1	Very high	96	Very high	149 Å²	149	47.8 Å²	47.8	76%	0.764	25%	0.247	S	C	*	.	S	Bend	trans	-70.5	-32.6	-176.2	-63.5	173.1	0	0	0	112.4	S52	S52-I54 PolarHBondContact O-N 3.42Å
55	N	92.1	Very high	95.8	Very high	124 Å²	124	54.8 Å²	54.8	66%	0.663	28%	0.284	S	S	*	.	S	Bend	trans	-132.1	74.6	-177.6	-67.8	-62.8	0	0	0	110.7	T53	T53-N55 PolarHBondContact O-N 2.68Å
56	P	95.4	Very high	95.6	Very high	35 Å²	35	61.6 Å²	61.6	23%	0.227	32%	0.32	C	S	.	.			trans	-63.7	151.9	175.5	26.3	-34	0	0	0	112	I51 V110 T111	I51-P56 HydrophobicContact CD1-CB 3.55Å; I51-P56 HydrophobicContact CD1-CG 3.57Å; P56-V110 HydrophobicContact CB-CG1 3.69Å; P56-V110 HydrophobicContact CG-CG1 4.42Å; P56-T111 CarbonylContact C-O 3.46Å; P56-T111 VanDerWaalsContact CA-O 3.3Å; P56-T111 WeakPolarHBondContact CA-O 3.43Å; P56-T111 WeakPolarHBondContact CB-O 3.33Å
57	R	96.9	Very high	95.6	Very high	129 Å²	129	69.2 Å²	69.2	49%	0.487	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.5	165.5	-172.4	174.3	72.5	-116.2	-4.4	108.7	E59 V110 T111	R57-E59 WeakPolarHBondContact CD-OE1 3.09Å; R57-E59 HydrophobicContact CG-CG 4.27Å; R57-E59 IonicContact CZ-OE1 2.94Å; R57-E59 IonicContact NE-OE1 3.31Å; R57-E59 PolarHBondContact NE-OE1 3.49Å; R57-E59 IonicContact NH2-OE1 3.73Å; R57-V110 WeakPolarHBondContact O-CA 3.33Å; R57-T111 PolarHBondContact N-O 2.69Å; R57-T111 PolarHBondContact NH2-OG1 3.33Å; R57-T111 PolarHBondContact O-N 3.15Å
58	I	97.9	Very high	95.6	Very high	24 Å²	24	69.3 Å²	69.3	12%	0.123	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131	177.7	-62	158.6	0	0	0	108.1	Y72 P90 A91 E109 V110	I58-Y72 HydrophobicContact CB-CE1 4.22Å; I58-Y72 HydrophobicContact CG2-CD1 4.32Å; I58-Y72 HydrophobicContact CG2-CE1 4.16Å; I58-Y72 WeakPolarHBondContact O-CD1 3.18Å; I58-Y72 WeakPolarHBondContact O-CE1 3.22Å; I58-P90 WeakPolarHBondContact CD1-O 3.01Å; I58-A91 HydrophobicContact CD1-CB 3.88Å; I58-A91 HydrophobicContact CG1-CB 4.26Å; I58-A91 HydrophobicContact CG2-CB 3.82Å; I58-E109 WeakPolarHBondContact CA-O 2.96Å; I58-V110 HydrophobicContact CG1-CG1 4.4Å; I58-V110 HydrophobicContact CG1-CG2 4.07Å
59	E	98.5	Very high	95.7	Very high	10 Å²	10	70.3 Å²	70.3	5%	0.047	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.3	178.1	-55	-179.8	-170.8	0	0	109.9	R57 K61 Y72 F73 C108 E109	R57-E59 WeakPolarHBondContact CD-OE1 3.09Å; R57-E59 HydrophobicContact CG-CG 4.27Å; R57-E59 IonicContact CZ-OE1 2.94Å; R57-E59 IonicContact NE-OE1 3.31Å; R57-E59 PolarHBondContact NE-OE1 3.49Å; R57-E59 IonicContact NH2-OE1 3.73Å; E59-K61 IonicContact OE2-NZ 3.14Å; E59-K61 PolarHBondContact OE2-NZ 2.02Å; E59-Y72 WeakPolarHBondContact CA-O 3.39Å; E59-F73 HydrophobicContact CG-CD2 3.88Å; E59-F73 HydrophobicContact CG-CE2 4.39Å; E59-F73 WeakPolarHBondContact OE1-CE2 3.49Å; E59-C108 WeakPolarHBondContact O-CA 3.09Å; E59-E109 HydrophobicContact CB-CB 4.4Å; E59-E109 PolarHBondContact N-O 3.47Å; E59-E109 PolarHBondContact O-N 3.07Å
60	W	98.7	Very high	95.9	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.5	167	-77.8	85.2	0	0	0	110.7	L44 C46 V71 Y72 A91 L93 R107 C108 I124	L44-W60 HydrophobicContact CB-CH2 3.67Å; L44-W60 HydrophobicContact CB-CZ3 4.01Å; L44-W60 HydrophobicContact CD1-CZ3 4.33Å; L44-W60 WeakPolarHBondContact O-CH2 3.44Å; L44-W60 WeakPolarHBondContact O-CZ2 3.31Å; C46-W60 HydrophobicContact CB-CH2 4.07Å; C46-W60 HydrophobicContact CB-CZ2 3.44Å; C46-W60 VanDerWaalsContact CB-CZ2 3.44Å; W60-V71 HydrophobicContact CB-CB 4.1Å; W60-V71 HydrophobicContact CB-CG1 4.44Å; W60-V71 PolarHBondContact O-N 3.3Å; W60-Y72 PolarHBondContact N-O 2.88Å; W60-Y72 PolarHBondContact O-N 2.83Å; W60-Y72 VanDerWaalsContact O-N 3.08Å; W60-A91 WeakPolarHBondContact CZ2-O 3.27Å; W60-A91 PolarHBondContact NE1-O 2.79Å; W60-L93 HydrophobicContact CD2-CB 3.82Å; W60-L93 HydrophobicContact CD2-CD2 4.1Å; W60-L93 HydrophobicContact CE3-CB 4.22Å; W60-L93 HydrophobicContact CE3-CD2 4.01Å; W60-L93 HydrophobicContact CG-CB 4.29Å; W60-L93 HydrophobicContact CG-CD2 4.37Å; W60-L93 HydrophobicContact CH2-CB 4.11Å; W60-L93 HydrophobicContact CZ2-CB 3.7Å; W60-L93 HydrophobicContact CZ3-CB 4.36Å; W60-R107 WeakPolarHBondContact CA-O 3.49Å; W60-C108 HydrophobicContact CD2-CB 4.02Å; W60-C108 HydrophobicContact CE3-CB 4.13Å; W60-C108 HydrophobicContact CH2-CB 3.84Å; W60-C108 HydrophobicContact CZ2-CB 3.71Å; W60-C108 HydrophobicContact CZ3-CB 4.03Å; W60-I124 HydrophobicContact CH2-CD1 3.84Å; W60-I124 HydrophobicContact CZ3-CD1 4.26Å
61	K	98.6	Very high	96.1	Very high	26 Å²	26	68.4 Å²	68.4	11%	0.113	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.2	176.3	-64.7	168.5	-171.3	158.6	0	110.3	E59 P68 S69 Y70 Y106 R107 E109	E59-K61 IonicContact OE2-NZ 3.14Å; E59-K61 PolarHBondContact OE2-NZ 2.02Å; K61-P68 HydrophobicContact CB-CB 4.29Å; K61-P68 HydrophobicContact CD-CB 4.28Å; K61-S69 CarbonylContact C-O 3.54Å; K61-S69 WeakPolarHBondContact CA-O 3.24Å; K61-Y70 HydrophobicContact CD-CE1 4.33Å; K61-Y70 HydrophobicContact CG-CD1 4.02Å; K61-Y70 HydrophobicContact CG-CE1 4.23Å; K61-Y106 CarbonylContact O-C 3.58Å; K61-Y106 VanDerWaalsContact O-CA 3.3Å; K61-Y106 WeakPolarHBondContact O-CA 3.27Å; K61-R107 PolarHBondContact N-O 3.15Å; K61-R107 PolarHBondContact O-N 3.23Å; K61-E109 WeakPolarHBondContact CD-OE1 3.41Å; K61-E109 IonicContact NZ-OE1 3.14Å; K61-E109 PolarHBondContact NZ-OE1 2.88Å; K61-E109 IonicContact NZ-OE2 3.68Å; K61-E109 PolarHBondContact NZ-OE2 2.98Å
62	K	98.4	Very high	96.3	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.2	167.9	-176.5	175.4	-174.7	176.4	0	108.2	I64 P68 S69 V71 D80 S101 D102 A104 Y106	K62-I64 HydrophobicContact CD-CD1 4.41Å; K62-I64 HydrophobicContact CG-CD1 4.45Å; K62-I64 HydrophobicContact CG-CG1 4.27Å; K62-P68 CarbonylContact O-C 3.57Å; K62-P68 WeakPolarHBondContact O-CA 3.48Å; K62-S69 PolarHBondContact N-O 2.82Å; K62-S69 PolarHBondContact O-N 3.14Å; K62-S69 PolarHBondContact O-OG 2.95Å; K62-V71 HydrophobicContact CB-CG2 3.5Å; K62-V71 VanDerWaalsContact CB-CG2 3.5Å; K62-D80 IonicContact NZ-OD1 3.66Å; K62-D80 IonicContact NZ-OD2 3.77Å; K62-D80 PolarHBondContact NZ-OD2 3.02Å; K62-S101 WeakPolarHBondContact CE-O 3.48Å; K62-S101 PolarHBondContact NZ-O 3.27Å; K62-D102 IonicContact NZ-OD1 2.68Å; K62-D102 PolarHBondContact NZ-OD1 2.82Å; K62-A104 HydrophobicContact CD-CB 4.5Å; K62-A104 HydrophobicContact CG-CB 3.86Å; K62-Y106 HydrophobicContact CB-CD1 4.11Å; K62-Y106 HydrophobicContact CB-CE1 3.83Å; K62-Y106 HydrophobicContact CD-CE1 3.92Å; K62-Y106 VanDerWaalsContact CE-OH 3.24Å; K62-Y106 WeakPolarHBondContact CE-OH 3.43Å; K62-Y106 HydrophobicContact CG-CD1 4.37Å; K62-Y106 HydrophobicContact CG-CE1 3.77Å
63	I	98.3	Very high	96.5	Very high	19 Å²	19	68.8 Å²	68.8	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.4	-173.4	-54	171.1	0	0	0	108.4	K67 P68 K105 R107	I63-K67 WeakPolarHBondContact CA-O 3.4Å; I63-P68 HydrophobicContact CG1-CB 4.22Å; I63-K105 HydrophobicContact CB-CB 4.22Å; I63-K105 WeakPolarHBondContact CB-O 3.39Å; I63-K105 PolarHBondContact N-O 2.93Å; I63-R107 HydrophobicContact CD1-CB 3.91Å
64	I	95.4	Very high	96.5	Very high	82 Å²	82	74.3 Å²	74.3	42%	0.421	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.5	176.7	-55.8	177.3	0	0	0	107.5	K62 N66 K67 A104	K62-I64 HydrophobicContact CD-CD1 4.41Å; K62-I64 HydrophobicContact CG-CD1 4.45Å; K62-I64 HydrophobicContact CG-CG1 4.27Å; I64-N66 PolarHBondContact O-N 2.92Å; I64-K67 PolarHBondContact N-O 3.31Å; I64-K67 VanDerWaalsContact N-O 3.12Å; I64-K67 WeakPolarHBondContact O-CB 3.33Å; I64-K67 PolarHBondContact O-N 2.84Å; I64-A104 HydrophobicContact CG1-CB 4.24Å
65	N	94.2	Very high	96.7	Very high	149 Å²	149	77 Å²	77	80%	0.797	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	44.1	-179.1	-60.1	-34.1	0	0	0	112.9	K67	N65-K67 PolarHBondContact O-N 3.29Å; N65-K67 VanDerWaalsContact O-N 3.14Å
66	N	94.1	Very high	96.9	Very high	154 Å²	154	76.4 Å²	76.4	82%	0.824	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	14.8	-175.1	-62.4	-22.6	0	0	0	115.6	I64	I64-N66 PolarHBondContact O-N 2.92Å
67	K	97	Very high	97	Very high	159 Å²	159	75.7 Å²	75.7	69%	0.691	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.5	175.4	-64.8	-178.9	-179.4	-179.2	0	109.8	I63 I64 N65	I63-K67 WeakPolarHBondContact CA-O 3.4Å; I64-K67 PolarHBondContact N-O 3.31Å; I64-K67 VanDerWaalsContact N-O 3.12Å; I64-K67 WeakPolarHBondContact O-CB 3.33Å; I64-K67 PolarHBondContact O-N 2.84Å; N65-K67 PolarHBondContact O-N 3.29Å; N65-K67 VanDerWaalsContact O-N 3.14Å
68	P	97.4	Very high	96.9	Very high	78 Å²	78	71.3 Å²	71.3	51%	0.506	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	144.1	175.7	30.9	-33.1	0	0	0	111.1	K61 K62 I63	K61-P68 HydrophobicContact CB-CB 4.29Å; K61-P68 HydrophobicContact CD-CB 4.28Å; K62-P68 CarbonylContact O-C 3.57Å; K62-P68 WeakPolarHBondContact O-CA 3.48Å; I63-P68 HydrophobicContact CG1-CB 4.22Å
69	S	97.5	Very high	96.8	Very high	57 Å²	57	72.7 Å²	72.7	40%	0.399	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.8	171.3	57.2	0	0	0	0	109.1	K61 K62 V71	K61-S69 CarbonylContact C-O 3.54Å; K61-S69 WeakPolarHBondContact CA-O 3.24Å; K62-S69 PolarHBondContact N-O 2.82Å; K62-S69 PolarHBondContact O-N 3.14Å; K62-S69 PolarHBondContact O-OG 2.95Å; S69-V71 PolarHBondContact O-N 2.95Å
70	Y	97.9	Very high	96.6	Very high	114 Å²	114	76 Å²	76	45%	0.447	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	126	-179	-74.3	-73.3	0	0	0	111.2	K61 F73	K61-Y70 HydrophobicContact CD-CE1 4.33Å; K61-Y70 HydrophobicContact CG-CD1 4.02Å; K61-Y70 HydrophobicContact CG-CE1 4.23Å; Y70-F73 HydrophobicContact CD1-CB 3.76Å; Y70-F73 HydrophobicContact CD1-CD2 4.25Å; Y70-F73 HydrophobicContact CD1-CG 4.22Å; Y70-F73 HydrophobicContact CE1-CB 4.23Å; Y70-F73 AromaticContact CE1-CD2 3.83Å; Y70-F73 HydrophobicContact CE1-CD2 3.83Å; Y70-F73 HydrophobicContact CE1-CG 4.22Å; Y70-F73 HydrophobicContact CG-CB 4.19Å
71	V	98.3	Very high	96.6	Very high	1 Å²	1	76 Å²	76	1%	0.006	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-42.3	167.5	171.8	0	0	0	0	109.9	W60 K62 S69 I77 S78 L81 L93 Y106	W60-V71 HydrophobicContact CB-CB 4.1Å; W60-V71 HydrophobicContact CB-CG1 4.44Å; W60-V71 PolarHBondContact O-N 3.3Å; K62-V71 HydrophobicContact CB-CG2 3.5Å; K62-V71 VanDerWaalsContact CB-CG2 3.5Å; S69-V71 PolarHBondContact O-N 2.95Å; V71-I77 CarbonylContact O-C 3.57Å; V71-I77 WeakPolarHBondContact O-CA 3.43Å; V71-S78 PolarHBondContact O-N 2.82Å; V71-L81 HydrophobicContact CB-CD1 4.48Å; V71-L81 HydrophobicContact CG1-CB 4.35Å; V71-L81 HydrophobicContact CG1-CD1 3.6Å; V71-L81 HydrophobicContact CG2-CD1 4.01Å; V71-L93 HydrophobicContact CG1-CD1 4.03Å; V71-L93 HydrophobicContact CG1-CD2 3.87Å; V71-Y106 HydrophobicContact CG2-CD1 4.47Å; V71-Y106 HydrophobicContact CG2-CE1 4.3Å
72	Y	98.4	Very high	96.4	Very high	35 Å²	35	79.1 Å²	79.1	14%	0.137	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	123.9	177.1	179.1	-105.9	0	0	0	109.6	I58 E59 W60 R75 K76 I77 I87	I58-Y72 HydrophobicContact CB-CE1 4.22Å; I58-Y72 HydrophobicContact CG2-CD1 4.32Å; I58-Y72 HydrophobicContact CG2-CE1 4.16Å; I58-Y72 WeakPolarHBondContact O-CD1 3.18Å; I58-Y72 WeakPolarHBondContact O-CE1 3.22Å; E59-Y72 WeakPolarHBondContact CA-O 3.39Å; W60-Y72 PolarHBondContact N-O 2.88Å; W60-Y72 PolarHBondContact O-N 2.83Å; W60-Y72 VanDerWaalsContact O-N 3.08Å; Y72-R75 VanDerWaalsContact CE2-C 3.48Å; Y72-R75 WeakPolarHBondContact OH-CA 3.45Å; Y72-K76 WeakPolarHBondContact CA-O 3.06Å; Y72-I77 HydrophobicContact CD2-CD1 3.66Å; Y72-I77 HydrophobicContact CD2-CG1 4.24Å; Y72-I77 HydrophobicContact CG-CD1 4.23Å; Y72-I87 HydrophobicContact CD1-CD1 4.17Å; Y72-I87 HydrophobicContact CD1-CG1 3.93Å; Y72-I87 HydrophobicContact CD2-CD1 4.12Å; Y72-I87 HydrophobicContact CD2-CG1 3.48Å; Y72-I87 VanDerWaalsContact CD2-CG1 3.48Å; Y72-I87 HydrophobicContact CE1-CG1 3.93Å; Y72-I87 HydrophobicContact CE2-CB 4.42Å; Y72-I87 HydrophobicContact CE2-CG1 3.47Å; Y72-I87 VanDerWaalsContact CE2-CG1 3.47Å; Y72-I87 HydrophobicContact CG-CD1 3.89Å; Y72-I87 HydrophobicContact CG-CG1 3.68Å
73	F	96.9	Very high	96.3	Very high	85 Å²	85	86.4 Å²	86.4	37%	0.373	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	145.1	175.1	179.4	-100.3	0	0	0	108.8	E59 Y70 R75 K76	E59-F73 HydrophobicContact CG-CD2 3.88Å; E59-F73 HydrophobicContact CG-CE2 4.39Å; E59-F73 WeakPolarHBondContact OE1-CE2 3.49Å; Y70-F73 HydrophobicContact CD1-CB 3.76Å; Y70-F73 HydrophobicContact CD1-CD2 4.25Å; Y70-F73 HydrophobicContact CD1-CG 4.22Å; Y70-F73 HydrophobicContact CE1-CB 4.23Å; Y70-F73 AromaticContact CE1-CD2 3.83Å; Y70-F73 HydrophobicContact CE1-CD2 3.83Å; Y70-F73 HydrophobicContact CE1-CG 4.22Å; Y70-F73 HydrophobicContact CG-CB 4.19Å; F73-R75 VanDerWaalsContact C-N 3.26Å; F73-R75 PolarHBondContact O-N 2.82Å; F73-K76 PolarHBondContact N-O 3.31Å; F73-K76 VanDerWaalsContact N-O 3.07Å; F73-K76 PolarHBondContact O-N 3.43Å; F73-K76 VanDerWaalsContact O-O 3.13Å
74	D	94.4	Very high	96.3	Very high	129 Å²	129	87.6 Å²	87.6	69%	0.69	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	47.8	179.4	-164.7	27.4	0	0	0	113.5	K76	D74-K76 PolarHBondContact O-N 2.7Å
75	R	93.3	Very high	96.4	Very high	204 Å²	204	84 Å²	84	77%	0.77	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	15.8	-179.4	-55.2	-179.7	-179.6	-130.2	-1.8	115.3	Y72 F73	Y72-R75 VanDerWaalsContact CE2-C 3.48Å; Y72-R75 WeakPolarHBondContact OH-CA 3.45Å; F73-R75 VanDerWaalsContact C-N 3.26Å; F73-R75 PolarHBondContact O-N 2.82Å
76	K	97	Very high	96.6	Very high	112 Å²	112	81 Å²	81	49%	0.487	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.7	-179.4	-178.2	175.4	179.3	-172.5	0	111.4	Y72 F73 D74 E82	Y72-K76 WeakPolarHBondContact CA-O 3.06Å; F73-K76 PolarHBondContact N-O 3.31Å; F73-K76 VanDerWaalsContact N-O 3.07Å; F73-K76 PolarHBondContact O-N 3.43Å; F73-K76 VanDerWaalsContact O-O 3.13Å; D74-K76 PolarHBondContact O-N 2.7Å; K76-E82 WeakPolarHBondContact CE-OE1 3.32Å; K76-E82 IonicContact NZ-OE1 2.74Å; K76-E82 PolarHBondContact NZ-OE1 3.38Å
77	I	98	Very high	96.8	Very high	20 Å²	20	75.4 Å²	75.4	10%	0.103	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.3	166.3	-55.7	-75	0	0	0	108.8	V71 Y72 L81 A85 I87 L93	V71-I77 CarbonylContact O-C 3.57Å; V71-I77 WeakPolarHBondContact O-CA 3.43Å; Y72-I77 HydrophobicContact CD2-CD1 3.66Å; Y72-I77 HydrophobicContact CD2-CG1 4.24Å; Y72-I77 HydrophobicContact CG-CD1 4.23Å; I77-L81 HydrophobicContact CG2-CB 4.16Å; I77-L81 WeakPolarHBondContact CG2-O 3.16Å; I77-A85 HydrophobicContact CD1-CB 4.47Å; I77-A85 HydrophobicContact CG2-CB 4.17Å; I77-I87 HydrophobicContact CD1-CD1 4.17Å; I77-I87 HydrophobicContact CD1-CG1 4.19Å; I77-L93 HydrophobicContact CD1-CD1 4.12Å
78	S	95.6	Very high	96.8	Very high	37 Å²	37	74 Å²	74	26%	0.259	37%	0.372	S	S	.	.			trans	-134.2	168.6	-176.6	-61.9	0	0	0	0	111.7	V71	V71-S78 PolarHBondContact O-N 2.82Å
79	G	94.9	Very high	96.4	Very high	53 Å²	53	78.8 Å²	78.8	55%	0.546	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	77.6	-149.6	175.2	0	0	0	0	0	113.5	L81 E82	G79-L81 PolarHBondContact O-N 2.64Å; G79-L81 VanDerWaalsContact O-N 3.12Å; G79-E82 PolarHBondContact O-N 3.08Å
80	D	94.8	Very high	96.1	Very high	80 Å²	80	79.6 Å²	79.6	43%	0.428	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-68.6	-5.1	-178.8	60.5	-37.9	0	0	0	114.2	K62 R84	K62-D80 IonicContact NZ-OD1 3.66Å; K62-D80 IonicContact NZ-OD2 3.77Å; K62-D80 PolarHBondContact NZ-OD2 3.02Å; D80-R84 PolarHBondContact O-NE 2.9Å; D80-R84 PolarHBondContact O-NH2 3.08Å
81	L	97.4	Very high	96	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-107.6	-3.5	179.7	-66.8	176.9	0	0	0	114.2	V71 I77 G79 N83 R84 A85 I95 Y106	V71-L81 HydrophobicContact CB-CD1 4.48Å; V71-L81 HydrophobicContact CG1-CB 4.35Å; V71-L81 HydrophobicContact CG1-CD1 3.6Å; V71-L81 HydrophobicContact CG2-CD1 4.01Å; I77-L81 HydrophobicContact CG2-CB 4.16Å; I77-L81 WeakPolarHBondContact CG2-O 3.16Å; G79-L81 PolarHBondContact O-N 2.64Å; G79-L81 VanDerWaalsContact O-N 3.12Å; L81-N83 PolarHBondContact O-N 3.39Å; L81-R84 CarbonylContact O-C 3.56Å; L81-R84 PolarHBondContact O-N 3.3Å; L81-A85 HydrophobicContact CB-CB 3.9Å; L81-A85 PolarHBondContact O-N 3.39Å; L81-I95 HydrophobicContact CD1-CD1 4.06Å; L81-I95 HydrophobicContact CD1-CG1 4.33Å; L81-I95 HydrophobicContact CD2-CD1 4.24Å; L81-I95 HydrophobicContact CD2-CG1 4.23Å; L81-I95 HydrophobicContact CD2-CG2 3.86Å; L81-Y106 HydrophobicContact CD1-CE1 4.06Å
82	E	96.1	Very high	96.1	Very high	91 Å²	91	74.4 Å²	74.4	43%	0.425	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-36	-174.1	-174.1	166.9	-154.1	0	0	114.1	K76 G79	K76-E82 WeakPolarHBondContact CE-OE1 3.32Å; K76-E82 IonicContact NZ-OE1 2.74Å; K76-E82 PolarHBondContact NZ-OE1 3.38Å; G79-E82 PolarHBondContact O-N 3.08Å
83	N	96.1	Very high	96.1	Very high	155 Å²	155	72.7 Å²	72.7	83%	0.829	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	2.7	-178.5	-61.2	-56	0	0	0	114.3	L81	L81-N83 PolarHBondContact O-N 3.39Å
84	R	97.3	Very high	96.1	Very high	44 Å²	44	68.8 Å²	68.8	17%	0.166	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.1	7.4	-168.8	-57.7	-170.4	-59.8	112.6	0.1	113.1	D80 L81 I95 T96 N97 D102	D80-R84 PolarHBondContact O-NE 2.9Å; D80-R84 PolarHBondContact O-NH2 3.08Å; L81-R84 CarbonylContact O-C 3.56Å; L81-R84 PolarHBondContact O-N 3.3Å; R84-I95 CarbonylContact O-C 3.46Å; R84-I95 WeakPolarHBondContact O-CA 3.49Å; R84-T96 PolarHBondContact O-N 2.91Å; R84-T96 PolarHBondContact O-OG1 3.39Å; R84-T96 VanDerWaalsContact O-OG1 3.1Å; R84-N97 PolarHBondContact NH1-O 3.47Å; R84-D102 IonicContact CZ-OD2 3.41Å; R84-D102 IonicContact NH1-OD2 3.57Å; R84-D102 PolarHBondContact NH1-OD2 2.67Å; R84-D102 IonicContact NH2-OD1 2.67Å; R84-D102 PolarHBondContact NH2-OD1 3.24Å; R84-D102 VanDerWaalsContact NH2-OD1 3.15Å; R84-D102 IonicContact NH2-OD2 3.24Å; R84-D102 PolarHBondContact NH2-OD2 2.8Å
85	A	98.3	Very high	96.3	Very high	7 Å²	7	62.6 Å²	62.6	6%	0.058	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.6	176.2	0	0	0	0	0	112	I77 L81 L93 V94 I95	I77-A85 HydrophobicContact CD1-CB 4.47Å; I77-A85 HydrophobicContact CG2-CB 4.17Å; L81-A85 HydrophobicContact CB-CB 3.9Å; L81-A85 PolarHBondContact O-N 3.39Å; A85-L93 HydrophobicContact CB-CD1 3.95Å; A85-V94 CarbonylContact C-O 3.55Å; A85-V94 WeakPolarHBondContact CA-O 3.38Å; A85-V94 WeakPolarHBondContact CB-O 3.5Å; A85-I95 HydrophobicContact CB-CG1 4.3Å
86	V	98	Very high	96.6	Very high	85 Å²	85	55.8 Å²	55.8	52%	0.515	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.4	175.1	-63.2	0	0	0	0	109.4	V94	V86-V94 HydrophobicContact CG2-CB 3.9Å; V86-V94 HydrophobicContact CG2-CG1 4.41Å; V86-V94 PolarHBondContact N-O 3.45Å; V86-V94 PolarHBondContact O-N 2.74Å
87	I	98	Very high	96.6	Very high	38 Å²	38	54.3 Å²	54.3	20%	0.195	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.7	166.8	-58.4	-53	0	0	0	108.4	Y72 I77 T92 L93	Y72-I87 HydrophobicContact CD1-CD1 4.17Å; Y72-I87 HydrophobicContact CD1-CG1 3.93Å; Y72-I87 HydrophobicContact CD2-CD1 4.12Å; Y72-I87 HydrophobicContact CD2-CG1 3.48Å; Y72-I87 VanDerWaalsContact CD2-CG1 3.48Å; Y72-I87 HydrophobicContact CE1-CG1 3.93Å; Y72-I87 HydrophobicContact CE2-CB 4.42Å; Y72-I87 HydrophobicContact CE2-CG1 3.47Å; Y72-I87 VanDerWaalsContact CE2-CG1 3.47Å; Y72-I87 HydrophobicContact CG-CD1 3.89Å; Y72-I87 HydrophobicContact CG-CG1 3.68Å; I77-I87 HydrophobicContact CD1-CD1 4.17Å; I77-I87 HydrophobicContact CD1-CG1 4.19Å; I87-T92 CarbonylContact C-O 3.52Å; I87-T92 WeakPolarHBondContact CA-O 3.45Å; I87-L93 HydrophobicContact CD1-CB 4.18Å; I87-L93 HydrophobicContact CD1-CD1 3.73Å
88	R	97.1	Very high	96.6	Very high	128 Å²	128	53.3 Å²	53.3	48%	0.483	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.6	166.3	177.5	176.5	142.7	-143.2	-12.8	108.4	E43 A91 T92 V94	E43-R88 IonicContact OE1-NH1 2.9Å; E43-R88 PolarHBondContact OE1-NH1 3.05Å; E43-R88 IonicContact OE2-CZ 3.33Å; E43-R88 IonicContact OE2-NH1 3.97Å; E43-R88 PolarHBondContact OE2-NH1 3.4Å; R88-A91 PolarHBondContact O-N 3.49Å; R88-T92 PolarHBondContact N-O 2.98Å; R88-T92 PolarHBondContact O-N 3.26Å; R88-V94 HydrophobicContact CB-CG2 3.72Å
89	E	88.9	Confident	96.7	Very high	179 Å²	179	53 Å²	53	84%	0.836	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	140.7	-172.5	-67.9	-175.4	165.5	0	0	113.1
90	P	91.3	Very high	96.8	Very high	74 Å²	74	55.7 Å²	55.7	48%	0.481	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.7	-33.7	-2.5	30.8	-33	0	0	0	113.8	I48 I58	I48-P90 HydrophobicContact CD1-CB 4.1Å; I48-P90 HydrophobicContact CD1-CG 4.04Å; I48-P90 HydrophobicContact CG1-CG 4.29Å; I58-P90 WeakPolarHBondContact CD1-O 3.01Å
91	A	97.1	Very high	96.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	5.4	-168.2	0	0	0	0	0	115.1	C46 I48 I58 W60 R88 L93	C46-A91 HydrophobicContact CB-CB 4.1Å; I48-A91 HydrophobicContact CD1-CB 4.41Å; I58-A91 HydrophobicContact CD1-CB 3.88Å; I58-A91 HydrophobicContact CG1-CB 4.26Å; I58-A91 HydrophobicContact CG2-CB 3.82Å; W60-A91 WeakPolarHBondContact CZ2-O 3.27Å; W60-A91 PolarHBondContact NE1-O 2.79Å; R88-A91 PolarHBondContact O-N 3.49Å; A91-L93 PolarHBondContact O-N 3.06Å
92	T	98.3	Very high	96.9	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.1	-175.8	-70.6	0	0	0	0	110.9	E43 I87 R88 V94	E43-T92 HydrophobicContact CB-CG2 4.16Å; I87-T92 CarbonylContact C-O 3.52Å; I87-T92 WeakPolarHBondContact CA-O 3.45Å; R88-T92 PolarHBondContact N-O 2.98Å; R88-T92 PolarHBondContact O-N 3.26Å; T92-V94 HydrophobicContact CG2-CG2 4.35Å
93	L	98.7	Very high	97	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123	175.1	178.3	67.4	0	0	0	109.7	L44 W60 V71 I77 A85 I87 A91 I95 Y106	L44-L93 HydrophobicContact CB-CB 4.38Å; L44-L93 HydrophobicContact CD1-CD2 4.15Å; L44-L93 PolarHBondContact N-O 3.3Å; L44-L93 PolarHBondContact O-N 2.9Å; L44-L93 VanDerWaalsContact O-N 3.09Å; W60-L93 HydrophobicContact CD2-CB 3.82Å; W60-L93 HydrophobicContact CD2-CD2 4.1Å; W60-L93 HydrophobicContact CE3-CB 4.22Å; W60-L93 HydrophobicContact CE3-CD2 4.01Å; W60-L93 HydrophobicContact CG-CB 4.29Å; W60-L93 HydrophobicContact CG-CD2 4.37Å; W60-L93 HydrophobicContact CH2-CB 4.11Å; W60-L93 HydrophobicContact CZ2-CB 3.7Å; W60-L93 HydrophobicContact CZ3-CB 4.36Å; V71-L93 HydrophobicContact CG1-CD1 4.03Å; V71-L93 HydrophobicContact CG1-CD2 3.87Å; I77-L93 HydrophobicContact CD1-CD1 4.12Å; A85-L93 HydrophobicContact CB-CD1 3.95Å; I87-L93 HydrophobicContact CD1-CB 4.18Å; I87-L93 HydrophobicContact CD1-CD1 3.73Å; A91-L93 PolarHBondContact O-N 3.06Å; L93-I95 HydrophobicContact CD2-CD1 4.43Å; L93-I95 HydrophobicContact CD2-CG1 4.42Å; L93-I95 HydrophobicContact CG-CG1 4.31Å; L93-Y106 HydrophobicContact CD2-CD1 4.07Å; L93-Y106 HydrophobicContact CD2-CE1 4.41Å
94	V	98.6	Very high	97.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.6	175.9	-179.4	0	0	0	0	108.1	R41 E43 A85 V86 R88 T92	R41-V94 HydrophobicContact CG-CG1 4.19Å; R41-V94 VanDerWaalsContact NH2-CG1 3.34Å; E43-V94 HydrophobicContact CG-CG1 4.39Å; E43-V94 HydrophobicContact CG-CG2 4.08Å; A85-V94 CarbonylContact C-O 3.55Å; A85-V94 WeakPolarHBondContact CA-O 3.38Å; A85-V94 WeakPolarHBondContact CB-O 3.5Å; V86-V94 HydrophobicContact CG2-CB 3.9Å; V86-V94 HydrophobicContact CG2-CG1 4.41Å; V86-V94 PolarHBondContact N-O 3.45Å; V86-V94 PolarHBondContact O-N 2.74Å; R88-V94 HydrophobicContact CB-CG2 3.72Å; T92-V94 HydrophobicContact CG2-CG2 4.35Å
95	I	98.7	Very high	97.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.6	173	-57.4	171.3	0	0	0	107.8	R41 V42 L44 L81 R84 A85 L93 Y106 L126	R41-I95 WeakPolarHBondContact CA-O 3.42Å; V42-I95 HydrophobicContact CG1-CB 3.96Å; V42-I95 PolarHBondContact N-O 2.86Å; V42-I95 PolarHBondContact O-N 2.51Å; L44-I95 HydrophobicContact CD1-CD1 4.35Å; L81-I95 HydrophobicContact CD1-CD1 4.06Å; L81-I95 HydrophobicContact CD1-CG1 4.33Å; L81-I95 HydrophobicContact CD2-CD1 4.24Å; L81-I95 HydrophobicContact CD2-CG1 4.23Å; L81-I95 HydrophobicContact CD2-CG2 3.86Å; R84-I95 CarbonylContact O-C 3.46Å; R84-I95 WeakPolarHBondContact O-CA 3.49Å; A85-I95 HydrophobicContact CB-CG1 4.3Å; L93-I95 HydrophobicContact CD2-CD1 4.43Å; L93-I95 HydrophobicContact CD2-CG1 4.42Å; L93-I95 HydrophobicContact CG-CG1 4.31Å; I95-Y106 HydrophobicContact CD1-CE1 4.3Å; I95-L126 HydrophobicContact CD1-CD2 4.19Å
96	T	97.9	Very high	97.2	Very high	61 Å²	61	49 Å²	49	37%	0.374	25%	0.253	S	S	.	.	S	Bend	trans	-96.3	143.3	171.2	59.7	0	0	0	0	109.2	R84	R84-T96 PolarHBondContact O-N 2.91Å; R84-T96 PolarHBondContact O-OG1 3.39Å; R84-T96 VanDerWaalsContact O-OG1 3.1Å
97	N	97.4	Very high	97.3	Very high	80 Å²	80	47.8 Å²	47.8	43%	0.428	24%	0.239	S	C	.	.	S	Bend	trans	55.1	62.4	177.9	-167.5	21.9	0	0	0	112.1	F39 N40 R84	F39-N97 WeakPolarHBondContact CA-OD1 3.25Å; F39-N97 WeakPolarHBondContact CB-OD1 3.27Å; F39-N97 WeakPolarHBondContact CD1-OD1 3.4Å; N40-N97 PolarHBondContact O-N 3.45Å; R84-N97 PolarHBondContact NH1-O 3.47Å
98	A	98.3	Very high	97.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.			trans	-60.7	145.1	-178.6	0	0	0	0	0	111.6	T36 F39 N40 V128	T36-A98 HydrophobicContact CG2-CB 3.83Å; F39-A98 WeakPolarHBondContact CA-O 3.34Å; F39-A98 PolarHBondContact N-O 3.36Å; N40-A98 WeakPolarHBondContact O-CB 3.39Å; N40-A98 PolarHBondContact O-N 3.45Å; A98-V128 HydrophobicContact CB-CG1 4.39Å; A98-V128 HydrophobicContact CB-CG2 4.2Å
99	T	97.8	Very high	97.3	Very high	31 Å²	31	40.7 Å²	40.7	19%	0.19	21%	0.211	C	C	.	.			trans	-122.6	157.8	178.4	61.7	0	0	0	0	109.6	S101 D102 V128	T99-S101 PolarHBondContact O-N 3.38Å; T99-S101 PolarHBondContact OG1-OG 3.12Å; T99-D102 PolarHBondContact N-OD2 2.81Å; T99-D102 WeakPolarHBondContact O-CA 2.92Å; T99-D102 VanDerWaalsContact O-CB 3.26Å; T99-D102 WeakPolarHBondContact O-CB 2.94Å; T99-D102 PolarHBondContact O-N 2.91Å; T99-D102 VanDerWaalsContact OG1-CG 3.23Å; T99-D102 PolarHBondContact OG1-OD2 3.14Å; T99-V128 WeakPolarHBondContact O-CG2 3.48Å
100	R	96.8	Very high	97.8	Very high	108 Å²	108	32.2 Å²	32.2	41%	0.408	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-55	-28	176	67.1	-174.9	69.5	-179.3	3.9	114.6	E38 D102 T103 V130 E157	E38-R100 IonicContact OE1-CZ 3.44Å; E38-R100 PolarHBondContact OE1-N 2.81Å; E38-R100 VanDerWaalsContact OE1-N 3.17Å; E38-R100 IonicContact OE1-NE 3.86Å; E38-R100 PolarHBondContact OE1-NE 3.19Å; E38-R100 VanDerWaalsContact OE1-NE 3.14Å; E38-R100 IonicContact OE1-NH2 3.77Å; E38-R100 IonicContact OE2-NH2 3.9Å; R100-D102 PolarHBondContact O-N 2.89Å; R100-T103 WeakPolarHBondContact O-CB 3.28Å; R100-T103 PolarHBondContact O-N 2.73Å; R100-T103 PolarHBondContact O-OG1 3.42Å; R100-V130 HydrophobicContact CB-CG2 3.86Å; R100-E157 IonicContact CZ-OE2 2.84Å; R100-E157 IonicContact NH1-OE2 2.91Å; R100-E157 PolarHBondContact NH1-OE2 2.78Å; R100-E157 IonicContact NH2-OE2 2.89Å; R100-E157 PolarHBondContact NH2-OE2 2.8Å
101	S	96.8	Very high	98.1	Very high	72 Å²	72	29.9 Å²	29.9	50%	0.503	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-71.6	-12	174.5	45.1	0	0	0	0	113.9	K62 T99 T103	K62-S101 WeakPolarHBondContact CE-O 3.48Å; K62-S101 PolarHBondContact NZ-O 3.27Å; T99-S101 PolarHBondContact O-N 3.38Å; T99-S101 PolarHBondContact OG1-OG 3.12Å; S101-T103 VanDerWaalsContact C-N 3.28Å
102	D	98.2	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-79.4	-12.2	174.4	-59.4	-37	0	0	0	112	K62 R84 T99 R100 A104 Y106 L126 V128	K62-D102 IonicContact NZ-OD1 2.68Å; K62-D102 PolarHBondContact NZ-OD1 2.82Å; R84-D102 IonicContact CZ-OD2 3.41Å; R84-D102 IonicContact NH1-OD2 3.57Å; R84-D102 PolarHBondContact NH1-OD2 2.67Å; R84-D102 IonicContact NH2-OD1 2.67Å; R84-D102 PolarHBondContact NH2-OD1 3.24Å; R84-D102 VanDerWaalsContact NH2-OD1 3.15Å; R84-D102 IonicContact NH2-OD2 3.24Å; R84-D102 PolarHBondContact NH2-OD2 2.8Å; T99-D102 PolarHBondContact N-OD2 2.81Å; T99-D102 WeakPolarHBondContact O-CA 2.92Å; T99-D102 VanDerWaalsContact O-CB 3.26Å; T99-D102 WeakPolarHBondContact O-CB 2.94Å; T99-D102 PolarHBondContact O-N 2.91Å; T99-D102 VanDerWaalsContact OG1-CG 3.23Å; T99-D102 PolarHBondContact OG1-OD2 3.14Å; R100-D102 PolarHBondContact O-N 2.89Å; D102-A104 PolarHBondContact O-N 3.29Å; D102-A104 VanDerWaalsContact O-N 3.08Å; D102-Y106 WeakPolarHBondContact O-CE2 3.44Å; D102-Y106 PolarHBondContact O-OH 2.84Å; D102-L126 HydrophobicContact CB-CD2 4.49Å; D102-V128 HydrophobicContact CB-CG2 4.13Å
103	T	98.1	Very high	97.9	Very high	53 Å²	53	33.4 Å²	33.4	33%	0.325	19%	0.185	S	C	.	.			trans	-61	108.7	170.3	-62	0	0	0	0	110.5	R100 S101 L126 V128	R100-T103 WeakPolarHBondContact O-CB 3.28Å; R100-T103 PolarHBondContact O-N 2.73Å; R100-T103 PolarHBondContact O-OG1 3.42Å; S101-T103 VanDerWaalsContact C-N 3.28Å; T103-L126 VanDerWaalsContact CA-O 3.3Å; T103-L126 WeakPolarHBondContact CA-O 2.81Å; T103-V128 PolarHBondContact OG1-N 2.63Å
104	A	98.3	Very high	97.6	Very high	10 Å²	10	39.3 Å²	39.3	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	170	-177.1	0	0	0	0	0	110.7	K62 I64 D102 Y106 L126	K62-A104 HydrophobicContact CD-CB 4.5Å; K62-A104 HydrophobicContact CG-CB 3.86Å; I64-A104 HydrophobicContact CG1-CB 4.24Å; D102-A104 PolarHBondContact O-N 3.29Å; D102-A104 VanDerWaalsContact O-N 3.08Å; A104-Y106 HydrophobicContact CB-CD2 4.46Å; A104-Y106 HydrophobicContact CB-CE2 3.88Å; A104-Y106 VanDerWaalsContact O-CD2 3.3Å; A104-Y106 WeakPolarHBondContact O-CD2 3.27Å; A104-Y106 WeakPolarHBondContact O-CE2 3.41Å; A104-L126 PolarHBondContact N-O 3.03Å; A104-L126 VanDerWaalsContact N-O 3.16Å; A104-L126 PolarHBondContact O-N 3.1Å
105	K	98.7	Very high	97.4	Very high	102 Å²	102	39.6 Å²	39.6	44%	0.443	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131	163.3	-67.3	-176.8	-178.7	-172.7	0	109.8	I63 V123 I124 D125	I63-K105 HydrophobicContact CB-CB 4.22Å; I63-K105 WeakPolarHBondContact CB-O 3.39Å; I63-K105 PolarHBondContact N-O 2.93Å; K105-V123 HydrophobicContact CB-CG1 4.11Å; K105-V123 HydrophobicContact CD-CG1 4.28Å; K105-V123 HydrophobicContact CG-CG1 4.42Å; K105-I124 CarbonylContact C-O 3.58Å; K105-I124 WeakPolarHBondContact CA-O 3.14Å; K105-D125 WeakPolarHBondContact CE-OD2 3.32Å; K105-D125 HydrophobicContact CG-CB 4.25Å
106	Y	98.7	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.2	173.4	-67.3	-99.6	0	0	0	108.8	L44 K61 K62 V71 L81 L93 I95 D102 A104 V123 I124 L126	L44-Y106 HydrophobicContact CD1-CD1 3.91Å; L44-Y106 HydrophobicContact CD1-CD2 3.6Å; L44-Y106 HydrophobicContact CD1-CE1 4.42Å; L44-Y106 HydrophobicContact CD1-CE2 4.16Å; L44-Y106 HydrophobicContact CD1-CG 3.46Å; L44-Y106 VanDerWaalsContact CD1-CG 3.46Å; K61-Y106 CarbonylContact O-C 3.58Å; K61-Y106 VanDerWaalsContact O-CA 3.3Å; K61-Y106 WeakPolarHBondContact O-CA 3.27Å; K62-Y106 HydrophobicContact CB-CD1 4.11Å; K62-Y106 HydrophobicContact CB-CE1 3.83Å; K62-Y106 HydrophobicContact CD-CE1 3.92Å; K62-Y106 VanDerWaalsContact CE-OH 3.24Å; K62-Y106 WeakPolarHBondContact CE-OH 3.43Å; K62-Y106 HydrophobicContact CG-CD1 4.37Å; K62-Y106 HydrophobicContact CG-CE1 3.77Å; V71-Y106 HydrophobicContact CG2-CD1 4.47Å; V71-Y106 HydrophobicContact CG2-CE1 4.3Å; L81-Y106 HydrophobicContact CD1-CE1 4.06Å; L93-Y106 HydrophobicContact CD2-CD1 4.07Å; L93-Y106 HydrophobicContact CD2-CE1 4.41Å; I95-Y106 HydrophobicContact CD1-CE1 4.3Å; D102-Y106 WeakPolarHBondContact O-CE2 3.44Å; D102-Y106 PolarHBondContact O-OH 2.84Å; A104-Y106 HydrophobicContact CB-CD2 4.46Å; A104-Y106 HydrophobicContact CB-CE2 3.88Å; A104-Y106 VanDerWaalsContact O-CD2 3.3Å; A104-Y106 WeakPolarHBondContact O-CD2 3.27Å; A104-Y106 WeakPolarHBondContact O-CE2 3.41Å; Y106-V123 CarbonylContact O-C 3.52Å; Y106-V123 WeakPolarHBondContact O-CA 3.43Å; Y106-I124 PolarHBondContact N-O 2.81Å; Y106-I124 PolarHBondContact O-N 3.43Å; Y106-L126 HydrophobicContact CD2-CB 4.04Å; Y106-L126 HydrophobicContact CE2-CB 3.92Å; Y106-L126 HydrophobicContact CE2-CD2 3.91Å
107	R	98.8	Very high	96.9	Very high	59 Å²	59	45 Å²	45	22%	0.223	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.8	176.1	-174	-171	-73.3	133.2	4.4	109.4	W60 K61 I63 E109 E121 I122 V123	W60-R107 WeakPolarHBondContact CA-O 3.49Å; K61-R107 PolarHBondContact N-O 3.15Å; K61-R107 PolarHBondContact O-N 3.23Å; I63-R107 HydrophobicContact CD1-CB 3.91Å; R107-E109 WeakPolarHBondContact CD-OE1 3.38Å; R107-E109 HydrophobicContact CG-CG 3.87Å; R107-E109 IonicContact NH1-OE1 3.35Å; R107-E121 WeakPolarHBondContact CD-OE2 3.43Å; R107-E121 HydrophobicContact CG-CB 4.36Å; R107-E121 IonicContact NE-OE1 2.83Å; R107-E121 PolarHBondContact NE-OE1 3Å; R107-E121 IonicContact NE-OE2 2.67Å; R107-I122 VanDerWaalsContact CA-O 3.31Å; R107-I122 WeakPolarHBondContact CA-O 3.27Å; R107-I122 WeakPolarHBondContact CG-O 3.47Å; R107-V123 HydrophobicContact CB-CG2 4.3Å; R107-V123 HydrophobicContact CG-CG2 4.08Å
108	C	98.7	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.1	166.1	-176.4	0	0	0	0	108	C46 E59 W60 E121 I122	C46-C108 HydrophobicContact CB-CB 3.64Å; C46-C108 WeakPolarHBondContact CB-SG 3.38Å; C46-C108 WeakPolarHBondContact SG-CB 3.36Å; C46-C108 CovalentContact SG-SG 2.04Å; C46-C108 PolarHBondContact SG-SG 2.88Å; E59-C108 WeakPolarHBondContact O-CA 3.09Å; W60-C108 HydrophobicContact CD2-CB 4.02Å; W60-C108 HydrophobicContact CE3-CB 4.13Å; W60-C108 HydrophobicContact CH2-CB 3.84Å; W60-C108 HydrophobicContact CZ2-CB 3.71Å; W60-C108 HydrophobicContact CZ3-CB 4.03Å; C108-E121 VanDerWaalsContact O-CA 3.23Å; C108-E121 WeakPolarHBondContact O-CA 3.4Å; C108-E121 WeakPolarHBondContact O-CB 3.32Å; C108-I122 HydrophobicContact CB-CD1 4.24Å; C108-I122 HydrophobicContact CB-CG1 3.74Å; C108-I122 PolarHBondContact N-O 3.03Å; C108-I122 PolarHBondContact O-N 3.44Å
109	E	98.5	Very high	96.8	Very high	18 Å²	18	47.5 Å²	47.5	8%	0.084	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.9	176.7	-64	175.6	-158.5	0	0	108.6	I58 E59 K61 R107 F119 E121	I58-E109 WeakPolarHBondContact CA-O 2.96Å; E59-E109 HydrophobicContact CB-CB 4.4Å; E59-E109 PolarHBondContact N-O 3.47Å; E59-E109 PolarHBondContact O-N 3.07Å; K61-E109 WeakPolarHBondContact CD-OE1 3.41Å; K61-E109 IonicContact NZ-OE1 3.14Å; K61-E109 PolarHBondContact NZ-OE1 2.88Å; K61-E109 IonicContact NZ-OE2 3.68Å; K61-E109 PolarHBondContact NZ-OE2 2.98Å; R107-E109 WeakPolarHBondContact CD-OE1 3.38Å; R107-E109 HydrophobicContact CG-CG 3.87Å; R107-E109 IonicContact NH1-OE1 3.35Å; E109-F119 HydrophobicContact CB-CE2 3.88Å; E109-F119 HydrophobicContact CB-CZ 4.08Å; E109-F119 HydrophobicContact CG-CE2 4.21Å; E109-F119 HydrophobicContact CG-CZ 3.93Å; E109-E121 HydrophobicContact CG-CB 4.03Å
110	V	98.1	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.4	176.8	-177.4	0	0	0	0	109.6	V25 L27 I48 P56 R57 I58 F119 D120	V25-V110 HydrophobicContact CG2-CB 4.19Å; V25-V110 HydrophobicContact CG2-CG1 3.85Å; L27-V110 HydrophobicContact CD1-CB 3.94Å; L27-V110 HydrophobicContact CD1-CG2 3.68Å; L27-V110 HydrophobicContact CD2-CB 3.93Å; L27-V110 HydrophobicContact CD2-CG2 3.61Å; L27-V110 HydrophobicContact CG-CB 4.36Å; L27-V110 HydrophobicContact CG-CG2 4.24Å; I48-V110 HydrophobicContact CD1-CG1 4.42Å; P56-V110 HydrophobicContact CB-CG1 3.69Å; P56-V110 HydrophobicContact CG-CG1 4.42Å; R57-V110 WeakPolarHBondContact O-CA 3.33Å; I58-V110 HydrophobicContact CG1-CG1 4.4Å; I58-V110 HydrophobicContact CG1-CG2 4.07Å; V110-F119 WeakPolarHBondContact O-CA 3.17Å; V110-D120 PolarHBondContact N-O 2.92Å; V110-D120 PolarHBondContact O-N 2.81Å; V110-D120 VanDerWaalsContact O-N 3.16Å
111	T	97.6	Very high	96.9	Very high	26 Å²	26	46 Å²	46	16%	0.16	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.2	173.7	-52.2	0	0	0	0	110.2	P56 R57 S118	P56-T111 CarbonylContact C-O 3.46Å; P56-T111 VanDerWaalsContact CA-O 3.3Å; P56-T111 WeakPolarHBondContact CA-O 3.43Å; P56-T111 WeakPolarHBondContact CB-O 3.33Å; R57-T111 PolarHBondContact N-O 2.69Å; R57-T111 PolarHBondContact NH2-OG1 3.33Å; R57-T111 PolarHBondContact O-N 3.15Å; T111-S118 CarbonylContact C-O 3.57Å; T111-S118 VanDerWaalsContact CA-O 3.26Å; T111-S118 WeakPolarHBondContact CA-O 3.41Å
112	A	96.3	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.			trans	-120.7	89.6	-177.6	0	0	0	0	0	109.2	V25 I51 T53 D114 D115 S118	V25-A112 HydrophobicContact CB-CB 3.8Å; V25-A112 HydrophobicContact CG1-CB 4.14Å; V25-A112 HydrophobicContact CG2-CB 4.29Å; I51-A112 HydrophobicContact CD1-CB 3.74Å; I51-A112 HydrophobicContact CG1-CB 3.96Å; T53-A112 VanDerWaalsContact OG1-CA 3.31Å; T53-A112 WeakPolarHBondContact OG1-CA 3.33Å; T53-A112 WeakPolarHBondContact OG1-CB 3.31Å; T53-A112 PolarHBondContact OG1-O 2.9Å; A112-D114 PolarHBondContact O-N 2.84Å; A112-D115 HydrophobicContact CB-CB 4.05Å; A112-D115 PolarHBondContact O-N 2.86Å; A112-D115 VanDerWaalsContact O-N 3.16Å; A112-S118 PolarHBondContact N-O 2.91Å; A112-S118 WeakPolarHBondContact O-CA 3.47Å; A112-S118 WeakPolarHBondContact O-CB 3.48Å
113	A	94.6	Very high	97	Very high	80 Å²	80	46.6 Å²	46.6	66%	0.661	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.4	-167	0	0	0	0	0	114.9	T53	T53-A113 PolarHBondContact OG1-N 2.78Å
114	D	93.6	Very high	97	Very high	123 Å²	123	44 Å²	44	66%	0.658	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-7	-178	-55.6	-39.3	0	0	0	112.6	T53 A112	T53-D114 WeakPolarHBondContact OG1-CB 3.33Å; T53-D114 PolarHBondContact OG1-N 3.17Å; A112-D114 PolarHBondContact O-N 2.84Å
115	D	93.3	Very high	97	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.043	25%	0.254	C	S	.	.	S	Bend	trans	-86.7	146.2	178.8	-68.4	53.3	0	0	0	110.7	V25 S52 T53 A112 K117	V25-D115 PolarHBondContact N-OD2 3.46Å; S52-D115 PolarHBondContact N-OD1 3.07Å; S52-D115 VanDerWaalsContact N-OD1 3.16Å; S52-D115 PolarHBondContact N-OD2 3.1Å; T53-D115 WeakPolarHBondContact CB-OD1 3.35Å; T53-D115 PolarHBondContact N-OD1 2.83Å; T53-D115 PolarHBondContact OG1-OD1 3.14Å; A112-D115 HydrophobicContact CB-CB 4.05Å; A112-D115 PolarHBondContact O-N 2.86Å; A112-D115 VanDerWaalsContact O-N 3.16Å; D115-K117 VanDerWaalsContact CB-O 3.32Å; D115-K117 WeakPolarHBondContact CB-O 3.35Å; D115-K117 PolarHBondContact O-N 2.96Å
116	A	92.7	Very high	97	Very high	83 Å²	83	40.9 Å²	40.9	69%	0.686	23%	0.233	S	C	*	.	S	Bend	trans	-67	-38.8	179.8	0	0	0	0	0	112.1	L23	L23-A116 HydrophobicContact CB-CB 3.61Å; L23-A116 HydrophobicContact CD1-CB 4.24Å; L23-A116 WeakPolarHBondContact O-CA 3.42Å; L23-A116 VanDerWaalsContact O-CB 3.28Å; L23-A116 WeakPolarHBondContact O-CB 3.13Å; L23-A116 PolarHBondContact O-N 3.49Å
117	K	94.1	Very high	97	Very high	92 Å²	92	43.3 Å²	43.3	40%	0.4	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-95.1	103.7	157.1	-178.4	-170.6	173	-160.3	0	107.2	L23 A24 V25 D115 F119 D120	L23-K117 PolarHBondContact O-N 2.76Å; A24-K117 HydrophobicContact CB-CB 3.74Å; A24-K117 HydrophobicContact CB-CD 4.35Å; V25-K117 WeakPolarHBondContact CG1-O 3.47Å; V25-K117 PolarHBondContact N-O 3.09Å; V25-K117 VanDerWaalsContact N-O 3.08Å; D115-K117 VanDerWaalsContact CB-O 3.32Å; D115-K117 WeakPolarHBondContact CB-O 3.35Å; D115-K117 PolarHBondContact O-N 2.96Å; K117-F119 WeakPolarHBondContact CE-O 3.4Å; K117-D120 IonicContact NZ-OD1 2.74Å; K117-D120 PolarHBondContact NZ-OD1 2.77Å; K117-D120 IonicContact NZ-OD2 3.68Å
118	S	95.8	Very high	97	Very high	53 Å²	53	40.5 Å²	40.5	37%	0.371	24%	0.237	S	C	.	.			trans	-92.7	2.1	-171	60.4	0	0	0	0	115	T111 A112	T111-S118 CarbonylContact C-O 3.57Å; T111-S118 VanDerWaalsContact CA-O 3.26Å; T111-S118 WeakPolarHBondContact CA-O 3.41Å; A112-S118 PolarHBondContact N-O 2.91Å; A112-S118 WeakPolarHBondContact O-CA 3.47Å; A112-S118 WeakPolarHBondContact O-CB 3.48Å
119	F	97.5	Very high	97	Very high	80 Å²	80	43.2 Å²	43.2	35%	0.351	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.4	-178.6	179.2	-91.8	0	0	0	110.9	V25 E109 V110 K117 E121	V25-F119 VanDerWaalsContact CG1-C 3.49Å; E109-F119 HydrophobicContact CB-CE2 3.88Å; E109-F119 HydrophobicContact CB-CZ 4.08Å; E109-F119 HydrophobicContact CG-CE2 4.21Å; E109-F119 HydrophobicContact CG-CZ 3.93Å; V110-F119 WeakPolarHBondContact O-CA 3.17Å; K117-F119 WeakPolarHBondContact CE-O 3.4Å; F119-E121 HydrophobicContact CE1-CB 4.06Å; F119-E121 HydrophobicContact CE1-CG 4.14Å; F119-E121 HydrophobicContact CZ-CB 4.07Å; F119-E121 HydrophobicContact CZ-CG 4.49Å
120	D	98.1	Very high	97	Very high	30 Å²	30	42.7 Å²	42.7	16%	0.16	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.3	168.3	-159.6	38.4	0	0	0	110	V25 V26 L27 V110 K117	V25-D120 HydrophobicContact CG1-CB 3.85Å; V26-D120 WeakPolarHBondContact CA-OD2 3.4Å; L27-D120 HydrophobicContact CD1-CB 4.3Å; L27-D120 VanDerWaalsContact CD1-O 3.27Å; L27-D120 WeakPolarHBondContact CD1-O 3.44Å; L27-D120 HydrophobicContact CG-CB 4.04Å; L27-D120 PolarHBondContact N-OD2 2.74Å; V110-D120 PolarHBondContact N-O 2.92Å; V110-D120 PolarHBondContact O-N 2.81Å; V110-D120 VanDerWaalsContact O-N 3.16Å; K117-D120 IonicContact NZ-OD1 2.74Å; K117-D120 PolarHBondContact NZ-OD1 2.77Å; K117-D120 IonicContact NZ-OD2 3.68Å
121	E	98.3	Very high	97	Very high	78 Å²	78	48.2 Å²	48.2	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.1	-178.9	69	170.7	-131.5	0	0	112	R107 C108 E109 F119	R107-E121 WeakPolarHBondContact CD-OE2 3.43Å; R107-E121 HydrophobicContact CG-CB 4.36Å; R107-E121 IonicContact NE-OE1 2.83Å; R107-E121 PolarHBondContact NE-OE1 3Å; R107-E121 IonicContact NE-OE2 2.67Å; C108-E121 VanDerWaalsContact O-CA 3.23Å; C108-E121 WeakPolarHBondContact O-CA 3.4Å; C108-E121 WeakPolarHBondContact O-CB 3.32Å; E109-E121 HydrophobicContact CG-CB 4.03Å; F119-E121 HydrophobicContact CE1-CB 4.06Å; F119-E121 HydrophobicContact CE1-CG 4.14Å; F119-E121 HydrophobicContact CZ-CB 4.07Å; F119-E121 HydrophobicContact CZ-CG 4.49Å
122	I	98.4	Very high	97	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.2	169.4	54.6	164.6	0	0	0	109.7	L27 S45 C46 R107 C108 I124	L27-I122 HydrophobicContact CB-CG2 3.84Å; S45-I122 WeakPolarHBondContact O-CD1 3.14Å; C46-I122 HydrophobicContact CB-CD1 3.92Å; R107-I122 VanDerWaalsContact CA-O 3.31Å; R107-I122 WeakPolarHBondContact CA-O 3.27Å; R107-I122 WeakPolarHBondContact CG-O 3.47Å; C108-I122 HydrophobicContact CB-CD1 4.24Å; C108-I122 HydrophobicContact CB-CG1 3.74Å; C108-I122 PolarHBondContact N-O 3.03Å; C108-I122 PolarHBondContact O-N 3.44Å; I122-I124 HydrophobicContact CD1-CD1 4.17Å; I122-I124 HydrophobicContact CD1-CG1 4.49Å
123	V	98.5	Very high	97.1	Very high	60 Å²	60	50.4 Å²	50.4	36%	0.364	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.8	175.7	-180	0	0	0	0	109	K105 Y106 R107	K105-V123 HydrophobicContact CB-CG1 4.11Å; K105-V123 HydrophobicContact CD-CG1 4.28Å; K105-V123 HydrophobicContact CG-CG1 4.42Å; Y106-V123 CarbonylContact O-C 3.52Å; Y106-V123 WeakPolarHBondContact O-CA 3.43Å; R107-V123 HydrophobicContact CB-CG2 4.3Å; R107-V123 HydrophobicContact CG-CG2 4.08Å
124	I	98.8	Very high	97.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.8	-179.1	-59.6	171.6	0	0	0	108	P34 L44 S45 W60 K105 Y106 I122	P34-I124 HydrophobicContact CG-CG2 3.47Å; P34-I124 VanDerWaalsContact CG-CG2 3.47Å; L44-I124 HydrophobicContact CB-CD1 3.97Å; L44-I124 HydrophobicContact CD2-CG2 4.11Å; S45-I124 WeakPolarHBondContact O-CD1 3.35Å; W60-I124 HydrophobicContact CH2-CD1 3.84Å; W60-I124 HydrophobicContact CZ3-CD1 4.26Å; K105-I124 CarbonylContact C-O 3.58Å; K105-I124 WeakPolarHBondContact CA-O 3.14Å; Y106-I124 PolarHBondContact N-O 2.81Å; Y106-I124 PolarHBondContact O-N 3.43Å; I122-I124 HydrophobicContact CD1-CD1 4.17Å; I122-I124 HydrophobicContact CD1-CG1 4.49Å
125	D	98.5	Very high	97.5	Very high	46 Å²	46	46 Å²	46	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	94.1	-178.7	-155.8	-15.2	0	0	0	109.7	E32 F33 K105	E32-D125 PolarHBondContact O-N 2.93Å; F33-D125 WeakPolarHBondContact CA-O 3.49Å; F33-D125 HydrophobicContact CD1-CB 3.82Å; F33-D125 HydrophobicContact CE1-CB 4.08Å; K105-D125 WeakPolarHBondContact CE-OD2 3.32Å; K105-D125 HydrophobicContact CG-CB 4.25Å
126	L	98.6	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.1	-177.3	172.2	63.8	0	0	0	110.2	P34 T36 V42 L44 I95 D102 T103 A104 Y106 V128	P34-L126 HydrophobicContact CG-CD1 4.26Å; T36-L126 HydrophobicContact CG2-CD1 4.43Å; V42-L126 HydrophobicContact CG1-CD1 4.28Å; V42-L126 HydrophobicContact CG1-CD2 4.15Å; V42-L126 HydrophobicContact CG2-CD1 3.91Å; L44-L126 HydrophobicContact CD1-CD2 4.49Å; L44-L126 HydrophobicContact CD2-CB 4.18Å; L44-L126 HydrophobicContact CD2-CD1 4.14Å; L44-L126 HydrophobicContact CD2-CD2 4.24Å; L44-L126 HydrophobicContact CD2-CG 4.41Å; I95-L126 HydrophobicContact CD1-CD2 4.19Å; D102-L126 HydrophobicContact CB-CD2 4.49Å; T103-L126 VanDerWaalsContact CA-O 3.3Å; T103-L126 WeakPolarHBondContact CA-O 2.81Å; A104-L126 PolarHBondContact N-O 3.03Å; A104-L126 VanDerWaalsContact N-O 3.16Å; A104-L126 PolarHBondContact O-N 3.1Å; Y106-L126 HydrophobicContact CD2-CB 4.04Å; Y106-L126 HydrophobicContact CE2-CB 3.92Å; Y106-L126 HydrophobicContact CE2-CD2 3.91Å; L126-V128 HydrophobicContact CD2-CG2 4.33Å; L126-V128 HydrophobicContact CG-CG2 4.34Å
127	V	98.4	Very high	98	Very high	50 Å²	50	50.8 Å²	50.8	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.8	169.7	177.1	0	0	0	0	111.1	P34 S35 T36 R129 F159	P34-V127 PolarHBondContact O-N 2.84Å; S35-V127 VanDerWaalsContact CA-O 3.23Å; S35-V127 WeakPolarHBondContact CA-O 3.03Å; T36-V127 PolarHBondContact N-O 3.3Å; T36-V127 VanDerWaalsContact N-O 3.09Å; V127-R129 HydrophobicContact CG1-CG 4.48Å; V127-F159 HydrophobicContact CG1-CD1 4.41Å; V127-F159 HydrophobicContact CG1-CE1 3.7Å
128	V	98.6	Very high	98.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.6	169.7	-175.6	0	0	0	0	109.4	T36 E38 A98 T99 D102 T103 L126	T36-V128 HydrophobicContact CG2-CG1 4.47Å; T36-V128 HydrophobicContact CG2-CG2 4.07Å; T36-V128 CarbonylContact O-C 3.54Å; T36-V128 WeakPolarHBondContact O-CA 3.26Å; E38-V128 HydrophobicContact CB-CG1 4.22Å; A98-V128 HydrophobicContact CB-CG1 4.39Å; A98-V128 HydrophobicContact CB-CG2 4.2Å; T99-V128 WeakPolarHBondContact O-CG2 3.48Å; D102-V128 HydrophobicContact CB-CG2 4.13Å; T103-V128 PolarHBondContact OG1-N 2.63Å; L126-V128 HydrophobicContact CD2-CG2 4.33Å; L126-V128 HydrophobicContact CG-CG2 4.34Å
129	R	98.6	Very high	98.3	Very high	57 Å²	57	47.6 Å²	47.6	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141.1	177.2	-55.3	-173.6	-66.4	-117.8	-6.9	110.5	S35 T36 D37 E38 V127 F159 A218	S35-R129 PolarHBondContact OG-NH1 3.21Å; T36-R129 PolarHBondContact O-N 3.37Å; D37-R129 CarbonylContact C-O 3.52Å; D37-R129 WeakPolarHBondContact CA-O 3.18Å; D37-R129 IonicContact OD1-CZ 2.97Å; D37-R129 VanDerWaalsContact OD1-CZ 3.27Å; D37-R129 IonicContact OD1-NE 2.65Å; D37-R129 PolarHBondContact OD1-NE 3.28Å; D37-R129 IonicContact OD1-NH2 3.6Å; D37-R129 PolarHBondContact OD1-NH2 2.93Å; D37-R129 IonicContact OD2-NH2 2.7Å; E38-R129 PolarHBondContact N-O 2.96Å; V127-R129 HydrophobicContact CG1-CG 4.48Å; R129-F159 CarbonylContact C-O 3.58Å; R129-F159 VanDerWaalsContact CA-O 3.23Å; R129-F159 WeakPolarHBondContact CA-O 3.11Å; R129-F159 WeakPolarHBondContact CB-O 3.33Å; R129-A218 HydrophobicContact CB-CB 3.74Å
130	V	98.4	Very high	98.3	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.036	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-115.1	122.1	179.2	-177.4	0	0	0	0	107.8	E38 R100 E157 G158 F159 N216	E38-V130 HydrophobicContact CB-CG2 4.48Å; R100-V130 HydrophobicContact CB-CG2 3.86Å; V130-E157 WeakPolarHBondContact CG1-O 3.36Å; V130-G158 WeakPolarHBondContact O-CA 3.36Å; V130-F159 HydrophobicContact CB-CB 4.2Å; V130-F159 HydrophobicContact CG2-CB 4.33Å; V130-F159 PolarHBondContact N-O 2.65Å; V130-F159 PolarHBondContact O-N 3.48Å; V130-N216 PolarHBondContact O-ND2 2.67Å
131	K	97.9	Very high	98.3	Very high	116 Å²	116	52.8 Å²	52.8	50%	0.504	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-61.9	144	174.9	179.3	-176.3	173.1	-179	0	109.9	A218 H220	K131-A218 HydrophobicContact CB-CB 4.27Å; K131-H220 WeakPolarHBondContact CE-O 3.42Å; K131-H220 PolarHBondContact NZ-O 3.44Å
132	P	98.3	Very high	98.2	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.032	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-61	142.1	177.7	-20.8	35.3	0	0	0	110.9	E155 S162 A214 N216 G219 A221	P132-E155 HydrophobicContact CB-CG 4.04Å; P132-S162 WeakPolarHBondContact CB-OG 3.26Å; P132-S162 WeakPolarHBondContact CG-OG 3.49Å; P132-A214 HydrophobicContact CB-CB 3.95Å; P132-N216 WeakPolarHBondContact CD-OD1 3.41Å; P132-N216 HydrophobicContact CG-CB 4.33Å; P132-G219 WeakPolarHBondContact CD-O 3.47Å; P132-A221 VanDerWaalsContact O-CB 3.25Å; P132-A221 WeakPolarHBondContact O-CB 3.43Å
133	V	97.6	Very high	98.2	Very high	67 Å²	67	51.2 Å²	51.2	41%	0.406	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-79.7	166.7	169.3	-65.7	0	0	0	0	110.5	P135 E155 E157 A221	V133-P135 VanDerWaalsContact O-CD 3.27Å; V133-P135 WeakPolarHBondContact O-CD 3.34Å; V133-E155 HydrophobicContact CG2-CB 3.97Å; V133-E155 PolarHBondContact N-OE2 2.84Å; V133-E157 HydrophobicContact CB-CB 4.41Å; V133-E157 HydrophobicContact CB-CG 4.48Å; V133-E157 HydrophobicContact CG1-CB 3.72Å; V133-E157 HydrophobicContact CG1-CG 3.85Å; V133-E157 HydrophobicContact CG2-CB 3.91Å; V133-E157 HydrophobicContact CG2-CG 3.82Å; V133-A221 WeakPolarHBondContact O-CB 3.5Å
134	V	98.4	Very high	98.2	Very high	105 Å²	105	50.6 Å²	50.6	64%	0.636	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-55.4	116.6	175.9	175.5	0	0	0	0	108.9	A221	V134-A221 HydrophobicContact CG2-CB 4.43Å
135	P	98.3	Very high	98.1	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.032	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.4	149.2	-174.9	27.4	-33.8	0	0	0	111.2	V133 C137 M154 E155 A214 C223	V133-P135 VanDerWaalsContact O-CD 3.27Å; V133-P135 WeakPolarHBondContact O-CD 3.34Å; P135-C137 PolarHBondContact O-N 2.83Å; P135-M154 CarbonylContact C-O 3.52Å; P135-M154 VanDerWaalsContact CA-O 3.32Å; P135-M154 WeakPolarHBondContact CA-O 3.39Å; P135-E155 HydrophobicContact CB-CB 4.15Å; P135-A214 HydrophobicContact CB-CB 4.24Å; P135-A214 HydrophobicContact CG-CB 4.14Å; P135-C223 HydrophobicContact CG-CB 4.23Å; P135-C223 VanDerWaalsContact O-CB 3.32Å; P135-C223 WeakPolarHBondContact O-CB 3.39Å
136	K	98.3	Very high	98	Very high	178 Å²	178	55.1 Å²	55.1	77%	0.774	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	109.8	168	-173.7	179.9	179.6	-177.7	0	108.8	C153 M154	K136-C153 WeakPolarHBondContact O-CA 3.38Å; K136-M154 PolarHBondContact N-O 3.25Å; K136-M154 PolarHBondContact O-N 2.83Å; K136-M154 VanDerWaalsContact O-N 3.15Å
137	C	98.3	Very high	98	Very high	15 Å²	15	61.3 Å²	61.3	10%	0.101	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139.1	175.8	-65.8	0	0	0	0	111.3	P135 S152 W166 C223 Q226	P135-C137 PolarHBondContact O-N 2.83Å; C137-S152 CarbonylContact C-O 3.57Å; C137-S152 VanDerWaalsContact CA-O 3.31Å; C137-S152 WeakPolarHBondContact CA-O 3.28Å; C137-W166 HydrophobicContact CB-CH2 4.41Å; C137-C223 HydrophobicContact CB-CB 3.72Å; C137-C223 WeakPolarHBondContact CB-SG 3.38Å; C137-C223 WeakPolarHBondContact SG-CB 3.33Å; C137-C223 CovalentContact SG-SG 2.02Å; C137-C223 PolarHBondContact SG-SG 2.84Å; C137-Q226 PolarHBondContact O-NE2 3.09Å
138	S	98.4	Very high	97.9	Very high	66 Å²	66	63.1 Å²	63.1	46%	0.462	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110.7	171.5	-180	0	0	0	0	109.1	L151 S152	S138-L151 WeakPolarHBondContact O-CA 3.41Å; S138-S152 WeakPolarHBondContact CB-OG 3.23Å; S138-S152 PolarHBondContact N-O 2.84Å; S138-S152 PolarHBondContact O-N 2.91Å; S138-S152 VanDerWaalsContact O-N 3.1Å
139	V	98.6	Very high	97.9	Very high	11 Å²	11	63.2 Å²	63.2	7%	0.067	33%	0.331	C	S	.	.			trans	-118.5	124.2	175.2	179.6	0	0	0	0	109.1	K141 L151 W166 Q226 M228	V139-K141 PolarHBondContact O-N 3.11Å; V139-L151 HydrophobicContact CB-CD2 4.37Å; V139-L151 HydrophobicContact CB-CG 4.31Å; V139-L151 HydrophobicContact CG1-CD2 3.9Å; V139-L151 HydrophobicContact CG1-CG 4.08Å; V139-L151 HydrophobicContact CG2-CD2 3.88Å; V139-L151 HydrophobicContact CG2-CG 4.06Å; V139-W166 HydrophobicContact CG2-CH2 3.86Å; V139-W166 HydrophobicContact CG2-CZ3 3.82Å; V139-Q226 HydrophobicContact CB-CB 3.67Å; V139-Q226 HydrophobicContact CG1-CB 4.29Å; V139-Q226 HydrophobicContact CG2-CB 3.84Å; V139-Q226 HydrophobicContact CG2-CG 4.49Å; V139-Q226 VanDerWaalsContact N-OE1 3.08Å; V139-M228 HydrophobicContact CG1-CB 3.82Å
140	P	98.1	Very high	97.9	Very high	39 Å²	39	65 Å²	65	25%	0.253	34%	0.342	S	S	.	.			trans	-59.1	130.2	174.1	-22.8	33.5	0	0	0	110.8	S142 V143 L151 M228	P140-S142 VanDerWaalsContact C-N 3.29Å; P140-S142 PolarHBondContact O-N 2.89Å; P140-V143 HydrophobicContact CB-CG2 3.75Å; P140-V143 HydrophobicContact CG-CG2 4.34Å; P140-L151 HydrophobicContact CG-CD1 4.46Å; P140-M228 WeakPolarHBondContact O-CA 3.41Å; P140-M228 WeakPolarHBondContact O-CB 3.26Å; P140-M228 WeakPolarHBondContact O-CG 3.38Å
141	K	97.5	Very high	97.9	Very high	180 Å²	180	64.7 Å²	64.7	78%	0.783	34%	0.34	S	S	*	.	S	Bend	trans	-63.5	-36.5	179.2	-67	-175.7	179.2	-179.1	0	112.5	V139 E229	V139-K141 PolarHBondContact O-N 3.11Å; K141-E229 PolarHBondContact O-N 2.91Å
142	S	96.9	Very high	97.9	Very high	60 Å²	60	61.4 Å²	61.4	42%	0.42	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	137.2	-178.3	-177.8	0	0	0	0	110.6	P140 E229 C231	P140-S142 VanDerWaalsContact C-N 3.29Å; P140-S142 PolarHBondContact O-N 2.89Å; S142-E229 CarbonylContact C-O 3.52Å; S142-E229 VanDerWaalsContact CA-O 3.28Å; S142-E229 WeakPolarHBondContact CA-O 3.44Å; S142-C231 PolarHBondContact OG-SG 3.21Å
143	V	97.7	Very high	97.9	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.4	177.2	-171.9	0	0	0	0	109.3	P140 K147 A149 V202 M228 E229 V230 C231	P140-V143 HydrophobicContact CB-CG2 3.75Å; P140-V143 HydrophobicContact CG-CG2 4.34Å; V143-K147 HydrophobicContact CG1-CB 4.25Å; V143-A149 HydrophobicContact CB-CB 4.5Å; V143-A149 HydrophobicContact CG1-CB 4.07Å; V143-A149 HydrophobicContact CG2-CB 3.88Å; V143-V202 HydrophobicContact CB-CG2 4.07Å; V143-V202 HydrophobicContact CG1-CG1 4.11Å; V143-V202 HydrophobicContact CG1-CG2 3.59Å; V143-M228 HydrophobicContact CG2-CG 4.29Å; V143-M228 HydrophobicContact CG2-SD 3.98Å; V143-E229 PolarHBondContact N-O 3.31Å; V143-V230 VanDerWaalsContact O-CA 3.28Å; V143-V230 WeakPolarHBondContact O-CA 3.43Å; V143-C231 PolarHBondContact O-N 3.07Å
144	P	97.8	Very high	97.9	Very high	47 Å²	47	63 Å²	63	31%	0.305	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	142.9	174.4	-21	32.7	0	0	0	112.7	G146 K147 V202 C231	P144-G146 PolarHBondContact O-N 3.12Å; P144-K147 HydrophobicContact CB-CB 4.49Å; P144-K147 HydrophobicContact CB-CG 3.79Å; P144-K147 HydrophobicContact CG-CG 4.26Å; P144-K147 WeakPolarHBondContact O-CB 3.44Å; P144-K147 PolarHBondContact O-N 3.44Å; P144-K147 VanDerWaalsContact O-N 3.13Å; P144-V202 WeakPolarHBondContact O-CG2 3.36Å; P144-C231 CarbonylContact C-O 3.54Å; P144-C231 WeakPolarHBondContact CA-O 3.37Å
145	F	97.3	Very high	97.8	Very high	108 Å²	108	58.8 Å²	58.8	47%	0.474	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	134.2	174.5	-179.7	-88.9	0	0	0	111.4	K147 I203 V230 C231	F145-K147 VanDerWaalsContact C-N 3.27Å; F145-K147 PolarHBondContact O-N 2.72Å; F145-I203 HydrophobicContact CE2-CB 4.23Å; F145-I203 HydrophobicContact CE2-CG2 4.15Å; F145-V230 HydrophobicContact CB-CG1 4.23Å; F145-C231 PolarHBondContact N-O 3.12Å
146	G	96.4	Very high	97.7	Very high	33 Å²	33	66.3 Å²	66.3	34%	0.34	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	3.5	178.5	0	0	0	0	0	115.1	P144 S201 V202	P144-G146 PolarHBondContact O-N 3.12Å; G146-S201 VanDerWaalsContact CA-OG 3.31Å; G146-S201 WeakPolarHBondContact CA-OG 3.44Å; G146-V202 PolarHBondContact N-O 2.7Å
147	K	97.5	Very high	97.6	Very high	130 Å²	130	61.7 Å²	61.7	57%	0.565	32%	0.324	S	S	*	.	S	Bend	trans	-97.4	163.1	177.2	-61	-61.1	-176.2	-179.4	0	112	V143 P144 F145 S201 V202	V143-K147 HydrophobicContact CG1-CB 4.25Å; P144-K147 HydrophobicContact CB-CB 4.49Å; P144-K147 HydrophobicContact CB-CG 3.79Å; P144-K147 HydrophobicContact CG-CG 4.26Å; P144-K147 WeakPolarHBondContact O-CB 3.44Å; P144-K147 PolarHBondContact O-N 3.44Å; P144-K147 VanDerWaalsContact O-N 3.13Å; F145-K147 VanDerWaalsContact C-N 3.27Å; F145-K147 PolarHBondContact O-N 2.72Å; K147-S201 WeakPolarHBondContact O-CA 3.47Å; K147-V202 PolarHBondContact O-N 2.85Å
148	L	97.9	Very high	97.6	Very high	88 Å²	88	61.5 Å²	61.5	46%	0.461	33%	0.325	S	S	.	.			trans	-72.1	141.3	173.7	179.6	148	0	0	0	110.3	F199	L148-F199 WeakPolarHBondContact CA-O 3.31Å; L148-F199 WeakPolarHBondContact CG-O 3.11Å
149	A	98.1	Very high	97.6	Very high	4 Å²	4	63.2 Å²	63.2	3%	0.033	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.8	169	0	0	0	0	0	109.9	V143 L151 R198 F199 V202 M228	V143-A149 HydrophobicContact CB-CB 4.5Å; V143-A149 HydrophobicContact CG1-CB 4.07Å; V143-A149 HydrophobicContact CG2-CB 3.88Å; A149-L151 HydrophobicContact CB-CD1 4.5Å; A149-R198 CarbonylContact O-C 3.42Å; A149-R198 WeakPolarHBondContact O-CA 3.39Å; A149-F199 HydrophobicContact CB-CB 4.23Å; A149-F199 HydrophobicContact CB-CD2 4.08Å; A149-F199 PolarHBondContact N-O 2.99Å; A149-F199 VanDerWaalsContact N-O 3.14Å; A149-F199 PolarHBondContact O-N 2.85Å; A149-V202 HydrophobicContact CB-CG1 3.62Å; A149-M228 HydrophobicContact CB-SD 4.49Å
150	E	98.5	Very high	97.5	Very high	94 Å²	94	64.8 Å²	64.8	44%	0.439	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.5	173	-169.5	172	113	0	0	109.3	T196	E150-T196 HydrophobicContact CG-CG2 3.68Å
151	L	98.7	Very high	97.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.2	172.8	-74.7	64	0	0	0	107.2	S138 V139 P140 A149 W166 T196 L197 F199 Y210 M228	S138-L151 WeakPolarHBondContact O-CA 3.41Å; V139-L151 HydrophobicContact CB-CD2 4.37Å; V139-L151 HydrophobicContact CB-CG 4.31Å; V139-L151 HydrophobicContact CG1-CD2 3.9Å; V139-L151 HydrophobicContact CG1-CG 4.08Å; V139-L151 HydrophobicContact CG2-CD2 3.88Å; V139-L151 HydrophobicContact CG2-CG 4.06Å; P140-L151 HydrophobicContact CG-CD1 4.46Å; A149-L151 HydrophobicContact CB-CD1 4.5Å; L151-W166 HydrophobicContact CB-CH2 3.8Å; L151-W166 HydrophobicContact CB-CZ2 3.76Å; L151-W166 HydrophobicContact CB-CZ3 4.37Å; L151-W166 HydrophobicContact CD2-CE3 4.34Å; L151-W166 HydrophobicContact CD2-CH2 4.25Å; L151-W166 HydrophobicContact CD2-CZ3 4.01Å; L151-W166 HydrophobicContact CG-CH2 4.47Å; L151-T196 WeakPolarHBondContact O-CA 3.2Å; L151-L197 HydrophobicContact CB-CB 4.22Å; L151-L197 HydrophobicContact CD2-CD2 4.24Å; L151-L197 PolarHBondContact N-O 2.94Å; L151-L197 PolarHBondContact O-N 3.08Å; L151-F199 HydrophobicContact CD1-CD2 4.24Å; L151-F199 HydrophobicContact CD1-CE2 3.95Å; L151-Y210 HydrophobicContact CD2-CD1 3.52Å; L151-Y210 HydrophobicContact CD2-CD2 4.29Å; L151-Y210 HydrophobicContact CD2-CE1 4.01Å; L151-Y210 HydrophobicContact CD2-CG 3.66Å; L151-M228 HydrophobicContact CD1-SD 4.02Å
152	S	98.4	Very high	97.5	Very high	47 Å²	47	62.5 Å²	62.5	33%	0.329	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.2	-179.7	66.7	0	0	0	0	111.9	C137 S138 W166	C137-S152 CarbonylContact C-O 3.57Å; C137-S152 VanDerWaalsContact CA-O 3.31Å; C137-S152 WeakPolarHBondContact CA-O 3.28Å; S138-S152 WeakPolarHBondContact CB-OG 3.23Å; S138-S152 PolarHBondContact N-O 2.84Å; S138-S152 PolarHBondContact O-N 2.91Å; S138-S152 VanDerWaalsContact O-N 3.1Å; S152-W166 WeakPolarHBondContact O-CZ2 3.4Å
153	C	97.6	Very high	97.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	122.7	-177.6	177.7	0	0	0	0	108.4	K136 Y164 W166 G195 C212	K136-C153 WeakPolarHBondContact O-CA 3.38Å; C153-Y164 HydrophobicContact CB-CD1 4.21Å; C153-Y164 WeakPolarHBondContact O-CE1 3.21Å; C153-Y164 WeakPolarHBondContact SG-CD1 3.37Å; C153-W166 HydrophobicContact CB-CH2 4.36Å; C153-W166 HydrophobicContact CB-CZ2 3.61Å; C153-G195 PolarHBondContact N-O 3.36Å; C153-C212 HydrophobicContact CB-CB 3.47Å; C153-C212 VanDerWaalsContact CB-CB 3.47Å; C153-C212 WeakPolarHBondContact CB-SG 2.9Å; C153-C212 WeakPolarHBondContact SG-CB 3.44Å; C153-C212 CovalentContact SG-SG 2.02Å; C153-C212 PolarHBondContact SG-SG 3.36Å
154	M	96.9	Very high	97.6	Very high	106 Å²	106	65.7 Å²	65.7	52%	0.522	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.1	-176	-173.6	175.6	-71.5	0	0	111.8	P135 K136	P135-M154 CarbonylContact C-O 3.52Å; P135-M154 VanDerWaalsContact CA-O 3.32Å; P135-M154 WeakPolarHBondContact CA-O 3.39Å; K136-M154 PolarHBondContact N-O 3.25Å; K136-M154 PolarHBondContact O-N 2.83Å; K136-M154 VanDerWaalsContact O-N 3.15Å
155	E	97.6	Very high	97.6	Very high	15 Å²	15	65.4 Å²	65.4	7%	0.07	32%	0.323	C	S	.	.			trans	-136.6	153.6	165.3	70.8	80.7	-150.9	0	0	109.1	P132 V133 P135 E157 G158 S162 Y164 A214	P132-E155 HydrophobicContact CB-CG 4.04Å; V133-E155 HydrophobicContact CG2-CB 3.97Å; V133-E155 PolarHBondContact N-OE2 2.84Å; P135-E155 HydrophobicContact CB-CB 4.15Å; E155-E157 PolarHBondContact OE2-N 2.9Å; E155-G158 PolarHBondContact OE1-N 2.93Å; E155-G158 PolarHBondContact OE2-N 2.97Å; E155-S162 WeakPolarHBondContact OE1-CB 3.3Å; E155-S162 PolarHBondContact OE1-OG 2.95Å; E155-Y164 HydrophobicContact CG-CE1 4.31Å; E155-Y164 PolarHBondContact N-OH 2.92Å; E155-Y164 PolarHBondContact O-OH 3.29Å; E155-A214 HydrophobicContact CG-CB 3.66Å
156	E	96	Very high	97.7	Very high	163 Å²	163	60.2 Å²	60.2	76%	0.762	30%	0.301	S	S	*	.	S	Bend	trans	-120.8	-1.9	-169	-64.1	-176.4	178.1	0	0	113.8
157	E	96.4	Very high	97.8	Very high	81 Å²	81	59.3 Å²	59.3	38%	0.379	29%	0.288	S	S	.	.	S	Bend	trans	-103.7	-27.1	-169.7	-65	-65.4	146.1	0	0	112.9	R100 V130 V133 E155 F159	R100-E157 IonicContact CZ-OE2 2.84Å; R100-E157 IonicContact NH1-OE2 2.91Å; R100-E157 PolarHBondContact NH1-OE2 2.78Å; R100-E157 IonicContact NH2-OE2 2.89Å; R100-E157 PolarHBondContact NH2-OE2 2.8Å; V130-E157 WeakPolarHBondContact CG1-O 3.36Å; V133-E157 HydrophobicContact CB-CB 4.41Å; V133-E157 HydrophobicContact CB-CG 4.48Å; V133-E157 HydrophobicContact CG1-CB 3.72Å; V133-E157 HydrophobicContact CG1-CG 3.85Å; V133-E157 HydrophobicContact CG2-CB 3.91Å; V133-E157 HydrophobicContact CG2-CG 3.82Å; E155-E157 PolarHBondContact OE2-N 2.9Å; E157-F159 PolarHBondContact O-N 3.09Å
158	G	97.4	Very high	97.8	Very high	12 Å²	12	54.3 Å²	54.3	12%	0.124	27%	0.266	C	S	.	.			trans	-62.6	130.5	-175.8	0	0	0	0	0	113	V130 E155 P160	V130-G158 WeakPolarHBondContact O-CA 3.36Å; E155-G158 PolarHBondContact OE1-N 2.93Å; E155-G158 PolarHBondContact OE2-N 2.97Å; G158-P160 CarbonylContact C-O 3.55Å
159	F	97.6	Very high	97.8	Very high	102 Å²	102	54.4 Å²	54.4	45%	0.447	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-133.9	126	171.9	-172.6	-94.9	0	0	0	111	V127 R129 V130 E157 N216	V127-F159 HydrophobicContact CG1-CD1 4.41Å; V127-F159 HydrophobicContact CG1-CE1 3.7Å; R129-F159 CarbonylContact C-O 3.58Å; R129-F159 VanDerWaalsContact CA-O 3.23Å; R129-F159 WeakPolarHBondContact CA-O 3.11Å; R129-F159 WeakPolarHBondContact CB-O 3.33Å; V130-F159 HydrophobicContact CB-CB 4.2Å; V130-F159 HydrophobicContact CG2-CB 4.33Å; V130-F159 PolarHBondContact N-O 2.65Å; V130-F159 PolarHBondContact O-N 3.48Å; E157-F159 PolarHBondContact O-N 3.09Å; F159-N216 PolarHBondContact N-ND2 3.06Å; F159-N216 PolarHBondContact O-ND2 2.94Å
160	P	97.3	Very high	97.7	Very high	43 Å²	43	59 Å²	59	28%	0.279	30%	0.299	S	S	.	.	S	Bend	cis	-56.5	162.4	-4.6	-23.7	34.8	0	0	0	113.1	G158 S162 N216	G158-P160 CarbonylContact C-O 3.55Å; P160-S162 PolarHBondContact O-N 3.21Å; P160-N216 VanDerWaalsContact O-CB 3.26Å; P160-N216 WeakPolarHBondContact O-CB 3.23Å; P160-N216 PolarHBondContact O-ND2 3.47Å
161	K	97.1	Very high	97.6	Very high	168 Å²	168	57.9 Å²	57.9	73%	0.73	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-54.8	133.8	-176.9	-173.4	171.3	-176.7	174.8	0	110.8
162	S	98.2	Very high	97.5	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.021	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-67.1	147.6	-176.6	-66.4	0	0	0	0	114	P132 E155 P160 K215	P132-S162 WeakPolarHBondContact CB-OG 3.26Å; P132-S162 WeakPolarHBondContact CG-OG 3.49Å; E155-S162 WeakPolarHBondContact OE1-CB 3.3Å; E155-S162 PolarHBondContact OE1-OG 2.95Å; P160-S162 PolarHBondContact O-N 3.21Å; S162-K215 WeakPolarHBondContact CA-O 3.44Å
163	Q	98	Very high	97.5	Very high	130 Å²	130	59.7 Å²	59.7	61%	0.607	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	154.1	159.5	-64.2	-180	-2.4	0	0	109.7	T192 A214 K215	Q163-T192 CarbonylContact C-O 3.52Å; Q163-T192 VanDerWaalsContact CA-O 3.31Å; Q163-T192 WeakPolarHBondContact CA-O 3.38Å; Q163-A214 CarbonylContact O-C 3.53Å; Q163-A214 WeakPolarHBondContact O-CA 3.14Å; Q163-K215 PolarHBondContact N-O 2.74Å; Q163-K215 PolarHBondContact O-N 2.79Å
164	Y	98.4	Very high	97.5	Very high	6 Å²	6	61 Å²	61	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.2	-170.2	-61.4	-80.3	0	0	0	111.3	C153 E155 T192 G195 R213 A214	C153-Y164 HydrophobicContact CB-CD1 4.21Å; C153-Y164 WeakPolarHBondContact O-CE1 3.21Å; C153-Y164 WeakPolarHBondContact SG-CD1 3.37Å; E155-Y164 HydrophobicContact CG-CE1 4.31Å; E155-Y164 PolarHBondContact N-OH 2.92Å; E155-Y164 PolarHBondContact O-OH 3.29Å; Y164-T192 WeakPolarHBondContact CD2-O 3.48Å; Y164-T192 PolarHBondContact N-O 2.83Å; Y164-T192 WeakPolarHBondContact O-CB 3.24Å; Y164-T192 VanDerWaalsContact O-CG2 3.32Å; Y164-T192 WeakPolarHBondContact O-CG2 3.4Å; Y164-G195 VanDerWaalsContact CB-CA 3.43Å; Y164-G195 VanDerWaalsContact CD2-N 3.31Å; Y164-G195 VanDerWaalsContact CG-CA 3.5Å; Y164-R213 WeakPolarHBondContact CA-O 3.07Å; Y164-A214 HydrophobicContact CD1-CB 3.89Å; Y164-A214 HydrophobicContact CE1-CB 3.76Å
165	Q	98.5	Very high	97.4	Very high	40 Å²	40	61.9 Å²	61.9	19%	0.187	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	178.8	-65.4	167.1	-64.2	0	0	108.6	F167 E172 C212 R213	Q165-F167 HydrophobicContact CB-CE2 3.88Å; Q165-F167 HydrophobicContact CB-CZ 4.49Å; Q165-E172 PolarHBondContact NE2-OE1 3.16Å; Q165-C212 CarbonylContact O-C 3.48Å; Q165-C212 VanDerWaalsContact O-CA 3.27Å; Q165-C212 WeakPolarHBondContact O-CA 3.23Å; Q165-R213 HydrophobicContact CB-CB 4.5Å; Q165-R213 PolarHBondContact N-O 3.08Å; Q165-R213 PolarHBondContact O-N 2.91Å
166	W	98.6	Very high	97.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.2	177.1	-82.1	93	0	0	0	111	C137 V139 L151 S152 C153 I173 L190 G195 L197 Y210 Y211 C212	C137-W166 HydrophobicContact CB-CH2 4.41Å; V139-W166 HydrophobicContact CG2-CH2 3.86Å; V139-W166 HydrophobicContact CG2-CZ3 3.82Å; L151-W166 HydrophobicContact CB-CH2 3.8Å; L151-W166 HydrophobicContact CB-CZ2 3.76Å; L151-W166 HydrophobicContact CB-CZ3 4.37Å; L151-W166 HydrophobicContact CD2-CE3 4.34Å; L151-W166 HydrophobicContact CD2-CH2 4.25Å; L151-W166 HydrophobicContact CD2-CZ3 4.01Å; L151-W166 HydrophobicContact CG-CH2 4.47Å; S152-W166 WeakPolarHBondContact O-CZ2 3.4Å; C153-W166 HydrophobicContact CB-CH2 4.36Å; C153-W166 HydrophobicContact CB-CZ2 3.61Å; W166-I173 HydrophobicContact CB-CB 4.33Å; W166-I173 HydrophobicContact CB-CD1 3.95Å; W166-I173 HydrophobicContact CB-CG1 4.39Å; W166-I173 PolarHBondContact O-N 2.98Å; W166-L190 HydrophobicContact CG-CD1 4.45Å; W166-G195 PolarHBondContact NE1-O 2.82Å; W166-L197 HydrophobicContact CB-CD2 4.04Å; W166-L197 HydrophobicContact CD2-CB 4.29Å; W166-L197 HydrophobicContact CD2-CD2 4.19Å; W166-L197 HydrophobicContact CG-CB 4.04Å; W166-L197 HydrophobicContact CG-CD2 3.95Å; W166-Y210 HydrophobicContact CE3-CD1 4.34Å; W166-Y211 VanDerWaalsContact CE3-O 3.31Å; W166-C212 HydrophobicContact CD2-CB 3.78Å; W166-C212 HydrophobicContact CE3-CB 3.85Å; W166-C212 HydrophobicContact CG-CB 4.37Å; W166-C212 HydrophobicContact CH2-CB 4.06Å; W166-C212 HydrophobicContact CZ2-CB 4Å; W166-C212 HydrophobicContact CZ3-CB 3.97Å
167	F	98.6	Very high	96.9	Very high	14 Å²	14	58.2 Å²	58.2	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.2	177.6	-66	-101.8	0	0	0	108.9	Q165 E171 E172 Y210 Y211 R213	Q165-F167 HydrophobicContact CB-CE2 3.88Å; Q165-F167 HydrophobicContact CB-CZ 4.49Å; F167-E171 CarbonylContact C-O 3.5Å; F167-E171 WeakPolarHBondContact CA-O 3.3Å; F167-E172 HydrophobicContact CD1-CB 3.88Å; F167-E172 HydrophobicContact CD1-CG 4.47Å; F167-E172 HydrophobicContact CE1-CB 3.53Å; F167-E172 HydrophobicContact CE1-CG 3.97Å; F167-E172 HydrophobicContact CE2-CG 4.48Å; F167-E172 HydrophobicContact CZ-CB 4.05Å; F167-E172 HydrophobicContact CZ-CG 3.94Å; F167-Y210 VanDerWaalsContact O-CA 3.27Å; F167-Y210 WeakPolarHBondContact O-CA 3.42Å; F167-Y211 HydrophobicContact CB-CD1 3.78Å; F167-Y211 HydrophobicContact CB-CD2 4Å; F167-Y211 HydrophobicContact CB-CE1 3.35Å; F167-Y211 HydrophobicContact CB-CE2 3.58Å; F167-Y211 HydrophobicContact CB-CG 4.09Å; F167-Y211 HydrophobicContact CD1-CE2 4.09Å; F167-Y211 AromaticContact CD1-CZ 3.76Å; F167-Y211 VanDerWaalsContact CD1-OH 3.24Å; F167-Y211 WeakPolarHBondContact CD1-OH 3.49Å; F167-Y211 AromaticContact CD2-CD2 3.97Å; F167-Y211 HydrophobicContact CD2-CD2 3.97Å; F167-Y211 AromaticContact CD2-CE2 3.47Å; F167-Y211 HydrophobicContact CD2-CE2 3.47Å; F167-Y211 VanDerWaalsContact CD2-CE2 3.47Å; F167-Y211 AromaticContact CD2-CZ 3.94Å; F167-Y211 HydrophobicContact CE2-CE2 4.21Å; F167-Y211 HydrophobicContact CG-CD2 4.16Å; F167-Y211 HydrophobicContact CG-CE1 4.05Å; F167-Y211 AromaticContact CG-CE2 3.43Å; F167-Y211 HydrophobicContact CG-CE2 3.43Å; F167-Y211 VanDerWaalsContact CG-CE2 3.43Å; F167-Y211 AromaticContact CG-CZ 3.36Å; F167-Y211 WeakPolarHBondContact CG-OH 3.39Å; F167-Y211 PolarHBondContact N-O 3.16Å; F167-Y211 PolarHBondContact O-N 2.78Å; F167-Y211 VanDerWaalsContact O-N 3.08Å; F167-R213 HydrophobicContact CE2-CB 3.87Å
168	K	98.3	Very high	96.7	Very high	25 Å²	25	62.3 Å²	62.3	11%	0.109	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.9	170.6	-176.1	-178.7	77.8	176.3	0	108.3	S170 E171 I173 E205 E209 Y210	K168-S170 PolarHBondContact O-N 3.03Å; K168-E171 PolarHBondContact N-O 3.07Å; K168-E171 WeakPolarHBondContact O-CB 3.5Å; K168-E171 PolarHBondContact O-N 3.06Å; K168-I173 HydrophobicContact CB-CD1 3.98Å; K168-I173 HydrophobicContact CB-CG1 4.12Å; K168-E205 PolarHBondContact NZ-O 3.41Å; K168-E209 CarbonylContact C-O 3.57Å; K168-E209 WeakPolarHBondContact CA-O 3.43Å; K168-Y210 HydrophobicContact CB-CD1 4.24Å; K168-Y210 HydrophobicContact CB-CE1 3.95Å; K168-Y210 HydrophobicContact CD-CE1 4.13Å; K168-Y210 HydrophobicContact CD-CE2 4.04Å; K168-Y210 VanDerWaalsContact CD-OH 3.27Å; K168-Y210 WeakPolarHBondContact CD-OH 3.3Å; K168-Y210 HydrophobicContact CG-CD2 4.5Å; K168-Y210 HydrophobicContact CG-CE1 4.08Å; K168-Y210 HydrophobicContact CG-CE2 3.98Å
169	N	97.1	Very high	96.5	Very high	90 Å²	90	65.6 Å²	65.6	48%	0.481	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	45.5	-179.4	-53.8	-28.7	0	0	0	112.2	E171 G208 E209	N169-E171 PolarHBondContact O-N 3.37Å; N169-G208 WeakPolarHBondContact OD1-CA 3.05Å; N169-E209 PolarHBondContact N-O 2.69Å; N169-E209 PolarHBondContact OD1-N 3.16Å
170	S	96.3	Very high	96.2	Very high	101 Å²	101	61.7 Å²	61.7	71%	0.706	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	7.2	-177.1	-53.7	0	0	0	0	116.4	K168	K168-S170 PolarHBondContact O-N 3.03Å
171	E	96.2	Very high	96	Very high	69 Å²	69	65.3 Å²	65.3	32%	0.322	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.6	174	-176.8	163.3	-157.4	0	0	111.1	F167 K168 N169 I173 K182 F183	F167-E171 CarbonylContact C-O 3.5Å; F167-E171 WeakPolarHBondContact CA-O 3.3Å; K168-E171 PolarHBondContact N-O 3.07Å; K168-E171 WeakPolarHBondContact O-CB 3.5Å; K168-E171 PolarHBondContact O-N 3.06Å; N169-E171 PolarHBondContact O-N 3.37Å; E171-I173 PolarHBondContact O-N 3.08Å; E171-K182 VanDerWaalsContact CD-CD 3.48Å; E171-K182 WeakPolarHBondContact OE1-CD 3.47Å; E171-K182 WeakPolarHBondContact OE1-CE 3.47Å; E171-K182 IonicContact OE1-NZ 2.68Å; E171-K182 PolarHBondContact OE1-NZ 2.89Å; E171-K182 WeakPolarHBondContact OE2-CD 3.46Å; E171-K182 WeakPolarHBondContact OE2-CE 3.41Å; E171-K182 IonicContact OE2-NZ 2.72Å; E171-K182 PolarHBondContact OE2-NZ 2.92Å; E171-F183 HydrophobicContact CG-CE2 4.16Å; E171-F183 HydrophobicContact CG-CZ 4.35Å
172	E	97.6	Very high	95.7	Very high	83 Å²	83	64 Å²	64	39%	0.388	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.9	177.3	-168.3	163.8	175.7	0	0	110.1	Q165 F167 P174 R213	Q165-E172 PolarHBondContact NE2-OE1 3.16Å; F167-E172 HydrophobicContact CD1-CB 3.88Å; F167-E172 HydrophobicContact CD1-CG 4.47Å; F167-E172 HydrophobicContact CE1-CB 3.53Å; F167-E172 HydrophobicContact CE1-CG 3.97Å; F167-E172 HydrophobicContact CE2-CG 4.48Å; F167-E172 HydrophobicContact CZ-CB 4.05Å; F167-E172 HydrophobicContact CZ-CG 3.94Å; E172-P174 WeakPolarHBondContact O-CD 3.49Å; E172-R213 IonicContact OE2-NH2 2.69Å
173	I	97.9	Very high	95.4	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.015	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-81.1	116.2	174.2	-57.4	-178.6	0	0	0	106.8	W166 K168 E171 F183 Y188 L197 Y210	W166-I173 HydrophobicContact CB-CB 4.33Å; W166-I173 HydrophobicContact CB-CD1 3.95Å; W166-I173 HydrophobicContact CB-CG1 4.39Å; W166-I173 PolarHBondContact O-N 2.98Å; K168-I173 HydrophobicContact CB-CD1 3.98Å; K168-I173 HydrophobicContact CB-CG1 4.12Å; E171-I173 PolarHBondContact O-N 3.08Å; I173-F183 HydrophobicContact CB-CE1 4.45Å; I173-F183 HydrophobicContact CB-CZ 4.47Å; I173-F183 HydrophobicContact CG1-CE1 3.89Å; I173-F183 HydrophobicContact CG1-CZ 3.99Å; I173-F183 HydrophobicContact CG2-CD1 4.47Å; I173-F183 HydrophobicContact CG2-CE1 4.35Å; I173-Y188 HydrophobicContact CG2-CD1 4.45Å; I173-Y188 HydrophobicContact CG2-CD2 4.24Å; I173-Y188 HydrophobicContact CG2-CE1 3.78Å; I173-Y188 HydrophobicContact CG2-CE2 3.53Å; I173-Y188 WeakPolarHBondContact CG2-OH 3.17Å; I173-L197 HydrophobicContact CD1-CD2 3.57Å; I173-L197 HydrophobicContact CG2-CD1 4.44Å; I173-Y210 HydrophobicContact CD1-CD1 4Å; I173-Y210 HydrophobicContact CD1-CE1 3.64Å
174	P	96.8	Very high	95.1	Very high	27 Å²	27	62.7 Å²	62.7	18%	0.175	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.7	154.3	-179.5	27.7	-32.6	0	0	0	111.3	E172 D176 S179 F183 Y188	E172-P174 WeakPolarHBondContact O-CD 3.49Å; P174-D176 VanDerWaalsContact C-N 3.32Å; P174-D176 PolarHBondContact O-N 3.06Å; P174-S179 WeakPolarHBondContact CB-OG 3.5Å; P174-F183 VanDerWaalsContact CD-CD2 3.41Å; P174-F183 HydrophobicContact CG-CD2 3.99Å; P174-F183 HydrophobicContact CG-CG 4.46Å; P174-Y188 WeakPolarHBondContact CD-OH 3.43Å; P174-Y188 WeakPolarHBondContact CG-OH 3.32Å; P174-Y188 VanDerWaalsContact O-CE2 3.26Å; P174-Y188 WeakPolarHBondContact O-CE2 3.36Å; P174-Y188 PolarHBondContact O-OH 2.9Å
175	E	94.8	Very high	94.8	Very high	124 Å²	124	68.8 Å²	68.8	58%	0.579	37%	0.365	S	S	*	.	S	Bend	trans	-59.5	-42.8	176.2	-65	-169.5	175.7	0	0	112.4	L190 T192	E175-L190 HydrophobicContact CG-CD2 4.33Å; E175-T192 HydrophobicContact CG-CG2 3.7Å; E175-T192 WeakPolarHBondContact OE1-CG2 3.03Å; E175-T192 PolarHBondContact OE1-OG1 2.82Å; E175-T192 VanDerWaalsContact OE1-OG1 3.11Å
176	D	93.3	Very high	94.6	Very high	83 Å²	83	67.6 Å²	67.6	44%	0.444	36%	0.361	S	S	.	.	S	Bend	trans	-99.6	114.3	172.1	-177.9	3	0	0	0	110.3	P174 K178 S179	P174-D176 VanDerWaalsContact C-N 3.32Å; P174-D176 PolarHBondContact O-N 3.06Å; D176-K178 PolarHBondContact O-N 3.4Å; D176-K178 VanDerWaalsContact O-N 3.1Å; D176-K178 WeakPolarHBondContact OD1-CB 3.38Å; D176-K178 PolarHBondContact OD1-N 3.09Å; D176-S179 WeakPolarHBondContact O-CB 3.37Å; D176-S179 PolarHBondContact O-N 3.4Å; D176-S179 PolarHBondContact O-OG 2.67Å
177	P	91.2	Very high	94.5	Very high	19 Å²	19	69.2 Å²	69.2	12%	0.123	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-53.1	-30.9	175.2	-19.1	24.2	0	0	0	113.7	S179 S180 F183 L184 Y188	P177-S179 PolarHBondContact O-N 2.95Å; P177-S180 PolarHBondContact O-N 2.89Å; P177-F183 CarbonylContact O-C 3.54Å; P177-L184 PolarHBondContact O-N 3.45Å; P177-Y188 WeakPolarHBondContact CA-OH 3.5Å; P177-Y188 HydrophobicContact CB-CD1 4.44Å; P177-Y188 HydrophobicContact CB-CE1 3.79Å; P177-Y188 HydrophobicContact CG-CD1 4.1Å; P177-Y188 HydrophobicContact CG-CD2 4.13Å; P177-Y188 HydrophobicContact CG-CE1 3.73Å; P177-Y188 HydrophobicContact CG-CE2 3.75Å; P177-Y188 HydrophobicContact CG-CG 4.27Å
178	K	91.1	Very high	94.4	Very high	167 Å²	167	69 Å²	69	73%	0.726	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-71.9	-15.8	-178	-61.8	175.4	-179.4	175.2	0	113.3	D176 S180 L184	D176-K178 PolarHBondContact O-N 3.4Å; D176-K178 VanDerWaalsContact O-N 3.1Å; D176-K178 WeakPolarHBondContact OD1-CB 3.38Å; D176-K178 PolarHBondContact OD1-N 3.09Å; K178-S180 PolarHBondContact O-N 3.09Å; K178-L184 HydrophobicContact CB-CD1 4.38Å; K178-L184 HydrophobicContact CG-CD1 4.33Å
179	S	93.1	Very high	94.4	Very high	80 Å²	80	71.8 Å²	71.8	56%	0.559	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-75.2	-10	178.4	70.3	0	0	0	0	113.5	P174 D176 P177	P174-S179 WeakPolarHBondContact CB-OG 3.5Å; D176-S179 WeakPolarHBondContact O-CB 3.37Å; D176-S179 PolarHBondContact O-N 3.4Å; D176-S179 PolarHBondContact O-OG 2.67Å; P177-S179 PolarHBondContact O-N 2.95Å
180	S	92.4	Very high	94.4	Very high	21 Å²	21	68.7 Å²	68.7	15%	0.147	37%	0.374	C	S	.	.			trans	-136.1	126.3	179.7	176.6	0	0	0	0	112.3	P177 K178 K182 F183 L184	P177-S180 PolarHBondContact O-N 2.89Å; K178-S180 PolarHBondContact O-N 3.09Å; S180-K182 PolarHBondContact O-N 3.12Å; S180-K182 VanDerWaalsContact O-N 3.07Å; S180-K182 PolarHBondContact OG-N 3.22Å; S180-F183 PolarHBondContact O-N 2.84Å; S180-L184 PolarHBondContact O-N 2.84Å; S180-L184 VanDerWaalsContact O-N 3.08Å
181	P	91.6	Very high	94.5	Very high	119 Å²	119	67.7 Å²	67.7	77%	0.773	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.1	176.6	-26.1	34.2	0	0	0	114.2	F183	P181-F183 VanDerWaalsContact C-N 3.3Å; P181-F183 PolarHBondContact O-N 2.85Å
182	K	90.6	Very high	94.5	Very high	140 Å²	140	65.8 Å²	65.8	61%	0.609	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.4	-179.8	-66.7	178.3	-178.8	174.4	0	113.6	E171 S180	E171-K182 VanDerWaalsContact CD-CD 3.48Å; E171-K182 WeakPolarHBondContact OE1-CD 3.47Å; E171-K182 WeakPolarHBondContact OE1-CE 3.47Å; E171-K182 IonicContact OE1-NZ 2.68Å; E171-K182 PolarHBondContact OE1-NZ 2.89Å; E171-K182 WeakPolarHBondContact OE2-CD 3.46Å; E171-K182 WeakPolarHBondContact OE2-CE 3.41Å; E171-K182 IonicContact OE2-NZ 2.72Å; E171-K182 PolarHBondContact OE2-NZ 2.92Å; S180-K182 PolarHBondContact O-N 3.12Å; S180-K182 VanDerWaalsContact O-N 3.07Å; S180-K182 PolarHBondContact OG-N 3.22Å
183	F	93	Very high	94.5	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.026	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-6.7	-175.4	-67.8	-73.1	0	0	0	112.9	E171 I173 P174 P177 S180 P181 N185 S186 Y188	E171-F183 HydrophobicContact CG-CE2 4.16Å; E171-F183 HydrophobicContact CG-CZ 4.35Å; I173-F183 HydrophobicContact CB-CE1 4.45Å; I173-F183 HydrophobicContact CB-CZ 4.47Å; I173-F183 HydrophobicContact CG1-CE1 3.89Å; I173-F183 HydrophobicContact CG1-CZ 3.99Å; I173-F183 HydrophobicContact CG2-CD1 4.47Å; I173-F183 HydrophobicContact CG2-CE1 4.35Å; P174-F183 VanDerWaalsContact CD-CD2 3.41Å; P174-F183 HydrophobicContact CG-CD2 3.99Å; P174-F183 HydrophobicContact CG-CG 4.46Å; P177-F183 CarbonylContact O-C 3.54Å; S180-F183 PolarHBondContact O-N 2.84Å; P181-F183 VanDerWaalsContact C-N 3.3Å; P181-F183 PolarHBondContact O-N 2.85Å; F183-N185 PolarHBondContact O-N 2.91Å; F183-N185 VanDerWaalsContact O-N 3.08Å; F183-S186 WeakPolarHBondContact O-CB 3.35Å; F183-S186 PolarHBondContact O-N 2.77Å; F183-Y188 HydrophobicContact CB-CE1 4.01Å; F183-Y188 HydrophobicContact CD1-CE1 4.03Å; F183-Y188 HydrophobicContact CG-CE1 4.31Å
184	L	92.3	Very high	94.4	Very high	99 Å²	99	66.5 Å²	66.5	52%	0.518	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-36.7	-176.2	-172.5	69	0	0	0	114.5	P177 K178 S180	P177-L184 PolarHBondContact O-N 3.45Å; K178-L184 HydrophobicContact CB-CD1 4.38Å; K178-L184 HydrophobicContact CG-CD1 4.33Å; S180-L184 PolarHBondContact O-N 2.84Å; S180-L184 VanDerWaalsContact O-N 3.08Å
185	N	91.9	Very high	94.5	Very high	135 Å²	135	65.2 Å²	65.2	72%	0.722	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.8	-177.8	-66.2	-26.4	0	0	0	113.6	F183 I203	F183-N185 PolarHBondContact O-N 2.91Å; F183-N185 VanDerWaalsContact O-N 3.08Å; N185-I203 HydrophobicContact CB-CD1 4.24Å
186	S	93.5	Very high	94.6	Very high	15 Å²	15	61 Å²	61	11%	0.105	35%	0.346	C	S	.	.			trans	-85.1	143.7	-179	-166.8	0	0	0	0	111	F183 Y188 F199 D206	F183-S186 WeakPolarHBondContact O-CB 3.35Å; F183-S186 PolarHBondContact O-N 2.77Å; S186-Y188 VanDerWaalsContact C-N 3.31Å; S186-Y188 PolarHBondContact O-N 2.9Å; S186-Y188 WeakPolarHBondContact OG-CD1 3.3Å; S186-F199 WeakPolarHBondContact OG-CE1 3.38Å; S186-D206 WeakPolarHBondContact CB-OD1 3.49Å; S186-D206 PolarHBondContact OG-OD1 3.16Å
187	S	96	Very high	94.9	Very high	34 Å²	34	57 Å²	57	24%	0.238	32%	0.324	C	S	.	.			trans	-95.5	21.2	-171.3	72.2	0	0	0	0	113.6	T200 S201	S187-T200 VanDerWaalsContact CB-OG1 3.27Å; S187-T200 WeakPolarHBondContact CB-OG1 3.47Å; S187-T200 PolarHBondContact O-N 3.01Å; S187-T200 PolarHBondContact O-OG1 2.04Å; S187-T200 VanDerWaalsContact O-OG1 3.14Å; S187-T200 PolarHBondContact OG-N 3.48Å; S187-T200 PolarHBondContact OG-OG1 2.78Å; S187-S201 PolarHBondContact OG-N 3.45Å; S187-S201 PolarHBondContact OG-O 3.48Å
188	Y	97.7	Very high	95.2	Very high	8 Å²	8	61.2 Å²	61.2	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	155.5	-169.7	76.3	-97.2	0	0	0	113.9	I173 P174 P177 F183 S186 L190 L197 R198 F199	I173-Y188 HydrophobicContact CG2-CD1 4.45Å; I173-Y188 HydrophobicContact CG2-CD2 4.24Å; I173-Y188 HydrophobicContact CG2-CE1 3.78Å; I173-Y188 HydrophobicContact CG2-CE2 3.53Å; I173-Y188 WeakPolarHBondContact CG2-OH 3.17Å; P174-Y188 WeakPolarHBondContact CD-OH 3.43Å; P174-Y188 WeakPolarHBondContact CG-OH 3.32Å; P174-Y188 VanDerWaalsContact O-CE2 3.26Å; P174-Y188 WeakPolarHBondContact O-CE2 3.36Å; P174-Y188 PolarHBondContact O-OH 2.9Å; P177-Y188 WeakPolarHBondContact CA-OH 3.5Å; P177-Y188 HydrophobicContact CB-CD1 4.44Å; P177-Y188 HydrophobicContact CB-CE1 3.79Å; P177-Y188 HydrophobicContact CG-CD1 4.1Å; P177-Y188 HydrophobicContact CG-CD2 4.13Å; P177-Y188 HydrophobicContact CG-CE1 3.73Å; P177-Y188 HydrophobicContact CG-CE2 3.75Å; P177-Y188 HydrophobicContact CG-CG 4.27Å; F183-Y188 HydrophobicContact CB-CE1 4.01Å; F183-Y188 HydrophobicContact CD1-CE1 4.03Å; F183-Y188 HydrophobicContact CG-CE1 4.31Å; S186-Y188 VanDerWaalsContact C-N 3.31Å; S186-Y188 PolarHBondContact O-N 2.9Å; S186-Y188 WeakPolarHBondContact OG-CD1 3.3Å; Y188-L190 HydrophobicContact CD2-CB 4.3Å; Y188-L190 HydrophobicContact CE2-CB 4.24Å; Y188-L197 HydrophobicContact CD2-CD1 3.42Å; Y188-L197 VanDerWaalsContact CD2-CD1 3.42Å; Y188-L197 HydrophobicContact CE2-CD1 4.2Å; Y188-L197 HydrophobicContact CG-CD1 3.75Å; Y188-R198 CarbonylContact C-O 3.48Å; Y188-R198 WeakPolarHBondContact CA-O 3.37Å; Y188-F199 HydrophobicContact CD1-CE1 4.33Å; Y188-F199 HydrophobicContact CG-CE1 4.46Å
189	T	97.9	Very high	95.6	Very high	84 Å²	84	53.3 Å²	53.3	52%	0.515	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.9	160.4	57.9	0	0	0	0	109.1	R198	T189-R198 PolarHBondContact N-O 2.9Å; T189-R198 PolarHBondContact O-N 3.35Å
190	L	98	Very high	95.8	Very high	26 Å²	26	53.6 Å²	53.6	14%	0.136	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.7	177.7	174.6	57.9	0	0	0	109.4	W166 E175 Y188 T192 L197	W166-L190 HydrophobicContact CG-CD1 4.45Å; E175-L190 HydrophobicContact CG-CD2 4.33Å; Y188-L190 HydrophobicContact CD2-CB 4.3Å; Y188-L190 HydrophobicContact CE2-CB 4.24Å; L190-T192 HydrophobicContact CD2-CG2 3.99Å; L190-T192 HydrophobicContact CG-CG2 3.94Å; L190-L197 HydrophobicContact CB-CD1 4.17Å; L190-L197 HydrophobicContact CD1-CB 4.31Å; L190-L197 HydrophobicContact CD1-CD1 4.4Å
191	N	97.6	Very high	96	Very high	79 Å²	79	54.9 Å²	54.9	42%	0.422	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	105.4	168.4	-174.8	-36.4	0	0	0	109.2	G193 T194 G195 T196	N191-G193 VanDerWaalsContact C-N 3.26Å; N191-G193 PolarHBondContact O-N 2.99Å; N191-G193 WeakPolarHBondContact OD1-CA 3.5Å; N191-G193 PolarHBondContact OD1-N 2.83Å; N191-T194 WeakPolarHBondContact CB-OG1 3.04Å; N191-T194 VanDerWaalsContact CG-OG1 3.22Å; N191-T194 PolarHBondContact O-N 2.77Å; N191-T194 PolarHBondContact OD1-N 3.32Å; N191-T194 PolarHBondContact OD1-OG1 2.81Å; N191-G195 WeakPolarHBondContact O-CA 3.31Å; N191-G195 PolarHBondContact O-N 3.05Å; N191-T196 PolarHBondContact N-O 2.68Å; N191-T196 PolarHBondContact O-N 3.14Å
192	T	97.1	Very high	96.3	Very high	29 Å²	29	49.2 Å²	49.2	18%	0.178	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.3	-178.1	53.6	0	0	0	0	113.5	Q163 Y164 E175 L190	Q163-T192 CarbonylContact C-O 3.52Å; Q163-T192 VanDerWaalsContact CA-O 3.31Å; Q163-T192 WeakPolarHBondContact CA-O 3.38Å; Y164-T192 WeakPolarHBondContact CD2-O 3.48Å; Y164-T192 PolarHBondContact N-O 2.83Å; Y164-T192 WeakPolarHBondContact O-CB 3.24Å; Y164-T192 VanDerWaalsContact O-CG2 3.32Å; Y164-T192 WeakPolarHBondContact O-CG2 3.4Å; E175-T192 HydrophobicContact CG-CG2 3.7Å; E175-T192 WeakPolarHBondContact OE1-CG2 3.03Å; E175-T192 PolarHBondContact OE1-OG1 2.82Å; E175-T192 VanDerWaalsContact OE1-OG1 3.11Å; L190-T192 HydrophobicContact CD2-CG2 3.99Å; L190-T192 HydrophobicContact CG-CG2 3.94Å
193	G	96.5	Very high	96.6	Very high	36 Å²	36	44.2 Å²	44.2	37%	0.371	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-29.1	174	0	0	0	0	0	114.3	N191	N191-G193 VanDerWaalsContact C-N 3.26Å; N191-G193 PolarHBondContact O-N 2.99Å; N191-G193 WeakPolarHBondContact OD1-CA 3.5Å; N191-G193 PolarHBondContact OD1-N 2.83Å
194	T	96.4	Very high	96.7	Very high	66 Å²	66	49.3 Å²	49.3	41%	0.405	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-12.6	178	68.2	0	0	0	0	113.6	N191 T196	N191-T194 WeakPolarHBondContact CB-OG1 3.04Å; N191-T194 VanDerWaalsContact CG-OG1 3.22Å; N191-T194 PolarHBondContact O-N 2.77Å; N191-T194 PolarHBondContact OD1-N 3.32Å; N191-T194 PolarHBondContact OD1-OG1 2.81Å; T194-T196 PolarHBondContact O-N 2.79Å; T194-T196 WeakPolarHBondContact OG1-CB 3.41Å; T194-T196 PolarHBondContact OG1-N 2.74Å; T194-T196 PolarHBondContact OG1-OG1 3.31Å
195	G	97.6	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	16.2	-175.9	0	0	0	0	0	114	C153 Y164 W166 N191	C153-G195 PolarHBondContact N-O 3.36Å; Y164-G195 VanDerWaalsContact CB-CA 3.43Å; Y164-G195 VanDerWaalsContact CD2-N 3.31Å; Y164-G195 VanDerWaalsContact CG-CA 3.5Å; W166-G195 PolarHBondContact NE1-O 2.82Å; N191-G195 WeakPolarHBondContact O-CA 3.31Å; N191-G195 PolarHBondContact O-N 3.05Å
196	T	98.4	Very high	97.1	Very high	34 Å²	34	44.1 Å²	44.1	21%	0.209	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123	179.6	-49.7	0	0	0	0	110.2	E150 L151 N191 T194 R198	E150-T196 HydrophobicContact CG-CG2 3.68Å; L151-T196 WeakPolarHBondContact O-CA 3.2Å; N191-T196 PolarHBondContact N-O 2.68Å; N191-T196 PolarHBondContact O-N 3.14Å; T194-T196 PolarHBondContact O-N 2.79Å; T194-T196 WeakPolarHBondContact OG1-CB 3.41Å; T194-T196 PolarHBondContact OG1-N 2.74Å; T194-T196 PolarHBondContact OG1-OG1 3.31Å; T196-R198 HydrophobicContact CG2-CB 4.45Å
197	L	98.6	Very high	97.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113	168.4	174.8	66.9	0	0	0	108.3	L151 W166 I173 Y188 L190 F199 Y210	L151-L197 HydrophobicContact CB-CB 4.22Å; L151-L197 HydrophobicContact CD2-CD2 4.24Å; L151-L197 PolarHBondContact N-O 2.94Å; L151-L197 PolarHBondContact O-N 3.08Å; W166-L197 HydrophobicContact CB-CD2 4.04Å; W166-L197 HydrophobicContact CD2-CB 4.29Å; W166-L197 HydrophobicContact CD2-CD2 4.19Å; W166-L197 HydrophobicContact CG-CB 4.04Å; W166-L197 HydrophobicContact CG-CD2 3.95Å; I173-L197 HydrophobicContact CD1-CD2 3.57Å; I173-L197 HydrophobicContact CG2-CD1 4.44Å; Y188-L197 HydrophobicContact CD2-CD1 3.42Å; Y188-L197 VanDerWaalsContact CD2-CD1 3.42Å; Y188-L197 HydrophobicContact CE2-CD1 4.2Å; Y188-L197 HydrophobicContact CG-CD1 3.75Å; L190-L197 HydrophobicContact CB-CD1 4.17Å; L190-L197 HydrophobicContact CD1-CB 4.31Å; L190-L197 HydrophobicContact CD1-CD1 4.4Å; L197-F199 HydrophobicContact CD2-CE2 3.91Å; L197-F199 HydrophobicContact CD2-CZ 3.97Å; L197-F199 HydrophobicContact CG-CE2 3.84Å; L197-F199 HydrophobicContact CG-CZ 4.15Å; L197-Y210 HydrophobicContact CD2-CD1 4.24Å; L197-Y210 HydrophobicContact CD2-CE1 4Å
198	R	98.4	Very high	97.3	Very high	107 Å²	107	44.1 Å²	44.1	40%	0.404	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.6	-171.9	175.9	174.1	156.6	161.3	-5.3	111.1	A149 Y188 T189 T196	A149-R198 CarbonylContact O-C 3.42Å; A149-R198 WeakPolarHBondContact O-CA 3.39Å; Y188-R198 CarbonylContact C-O 3.48Å; Y188-R198 WeakPolarHBondContact CA-O 3.37Å; T189-R198 PolarHBondContact N-O 2.9Å; T189-R198 PolarHBondContact O-N 3.35Å; T196-R198 HydrophobicContact CG2-CB 4.45Å
199	F	98.4	Very high	97.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.5	172.6	-59.4	-97.5	0	0	0	109	L148 A149 L151 S186 Y188 L197 V202 D206 Y210 M228	L148-F199 WeakPolarHBondContact CA-O 3.31Å; L148-F199 WeakPolarHBondContact CG-O 3.11Å; A149-F199 HydrophobicContact CB-CB 4.23Å; A149-F199 HydrophobicContact CB-CD2 4.08Å; A149-F199 PolarHBondContact N-O 2.99Å; A149-F199 VanDerWaalsContact N-O 3.14Å; A149-F199 PolarHBondContact O-N 2.85Å; L151-F199 HydrophobicContact CD1-CD2 4.24Å; L151-F199 HydrophobicContact CD1-CE2 3.95Å; S186-F199 WeakPolarHBondContact OG-CE1 3.38Å; Y188-F199 HydrophobicContact CD1-CE1 4.33Å; Y188-F199 HydrophobicContact CG-CE1 4.46Å; L197-F199 HydrophobicContact CD2-CE2 3.91Å; L197-F199 HydrophobicContact CD2-CZ 3.97Å; L197-F199 HydrophobicContact CG-CE2 3.84Å; L197-F199 HydrophobicContact CG-CZ 4.15Å; F199-V202 HydrophobicContact CB-CG1 3.69Å; F199-V202 HydrophobicContact CG-CG1 4.05Å; F199-D206 HydrophobicContact CD1-CB 4.37Å; F199-D206 HydrophobicContact CE1-CB 4.07Å; F199-Y210 HydrophobicContact CZ-CE1 4.11Å; F199-M228 HydrophobicContact CE2-CE 4.43Å
200	T	97.9	Very high	97.4	Very high	85 Å²	85	44.9 Å²	44.9	52%	0.521	25%	0.247	S	C	.	.	S	Bend	trans	-76.3	-30	175.2	53	0	0	0	0	112.1	S187	S187-T200 VanDerWaalsContact CB-OG1 3.27Å; S187-T200 WeakPolarHBondContact CB-OG1 3.47Å; S187-T200 PolarHBondContact O-N 3.01Å; S187-T200 PolarHBondContact O-OG1 2.04Å; S187-T200 VanDerWaalsContact O-OG1 3.14Å; S187-T200 PolarHBondContact OG-N 3.48Å; S187-T200 PolarHBondContact OG-OG1 2.78Å
201	S	97.1	Very high	97.4	Very high	48 Å²	48	45 Å²	45	34%	0.336	25%	0.246	S	C	.	.	S	Bend	trans	-155.9	109.3	178.9	179.9	0	0	0	0	109.3	G146 K147 S187	G146-S201 VanDerWaalsContact CA-OG 3.31Å; G146-S201 WeakPolarHBondContact CA-OG 3.44Å; K147-S201 WeakPolarHBondContact O-CA 3.47Å; S187-S201 PolarHBondContact OG-N 3.45Å; S187-S201 PolarHBondContact OG-O 3.48Å
202	V	97.4	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.			trans	-74.8	138.2	-177.8	-63.1	0	0	0	0	112.5	V143 P144 G146 K147 A149 F199 D206 V230	V143-V202 HydrophobicContact CB-CG2 4.07Å; V143-V202 HydrophobicContact CG1-CG1 4.11Å; V143-V202 HydrophobicContact CG1-CG2 3.59Å; P144-V202 WeakPolarHBondContact O-CG2 3.36Å; G146-V202 PolarHBondContact N-O 2.7Å; K147-V202 PolarHBondContact O-N 2.85Å; A149-V202 HydrophobicContact CB-CG1 3.62Å; F199-V202 HydrophobicContact CB-CG1 3.69Å; F199-V202 HydrophobicContact CG-CG1 4.05Å; V202-D206 WeakPolarHBondContact CA-OD2 3.16Å; V202-V230 HydrophobicContact CB-CG2 4.38Å; V202-V230 HydrophobicContact CG2-CG1 4.09Å; V202-V230 HydrophobicContact CG2-CG2 4.42Å
203	I	96.4	Very high	97.6	Very high	36 Å²	36	42.4 Å²	42.4	19%	0.185	23%	0.226	C	C	.	.			trans	-111.3	169.4	172.3	61.7	172.7	0	0	0	110.9	F145 N185 E205 D206 V230	F145-I203 HydrophobicContact CE2-CB 4.23Å; F145-I203 HydrophobicContact CE2-CG2 4.15Å; N185-I203 HydrophobicContact CB-CD1 4.24Å; I203-E205 HydrophobicContact CD1-CB 4.06Å; I203-E205 WeakPolarHBondContact CD1-OE2 3.47Å; I203-E205 HydrophobicContact CG1-CB 4.23Å; I203-E205 WeakPolarHBondContact CG1-OE2 3.41Å; I203-E205 PolarHBondContact O-N 2.85Å; I203-D206 WeakPolarHBondContact CG1-OD2 3.49Å; I203-D206 PolarHBondContact N-OD2 3.49Å; I203-D206 WeakPolarHBondContact O-CB 3.4Å; I203-D206 PolarHBondContact O-N 3.17Å; I203-D206 VanDerWaalsContact O-N 3.07Å; I203-V230 WeakPolarHBondContact O-CG2 3.3Å
204	K	95.3	Very high	97.7	Very high	112 Å²	112	40.7 Å²	40.7	49%	0.487	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-60.1	-33.7	-177	-74.1	-170.9	175.5	-170.4	0	112.6	D206 A207	K204-D206 PolarHBondContact O-N 3.32Å; K204-A207 VanDerWaalsContact O-CB 3.29Å; K204-A207 WeakPolarHBondContact O-CB 3.39Å; K204-A207 PolarHBondContact O-N 2.75Å; K204-A207 VanDerWaalsContact O-N 3.09Å
205	E	95.3	Very high	97.8	Very high	124 Å²	124	42.4 Å²	42.4	58%	0.579	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-72.3	-12.9	-178.2	-61.1	67.2	-147.9	0	0	112.4	K168 I203 A207	K168-E205 PolarHBondContact NZ-O 3.41Å; I203-E205 HydrophobicContact CD1-CB 4.06Å; I203-E205 WeakPolarHBondContact CD1-OE2 3.47Å; I203-E205 HydrophobicContact CG1-CB 4.23Å; I203-E205 WeakPolarHBondContact CG1-OE2 3.41Å; I203-E205 PolarHBondContact O-N 2.85Å; E205-A207 VanDerWaalsContact C-N 3.29Å
206	D	96.6	Very high	97.8	Very high	2 Å²	2	43 Å²	43	1%	0.011	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-80.6	-8.5	170.3	-60.8	-37.2	0	0	0	112	S186 F199 V202 I203 K204 Y210 M228	S186-D206 WeakPolarHBondContact CB-OD1 3.49Å; S186-D206 PolarHBondContact OG-OD1 3.16Å; F199-D206 HydrophobicContact CD1-CB 4.37Å; F199-D206 HydrophobicContact CE1-CB 4.07Å; V202-D206 WeakPolarHBondContact CA-OD2 3.16Å; I203-D206 WeakPolarHBondContact CG1-OD2 3.49Å; I203-D206 PolarHBondContact N-OD2 3.49Å; I203-D206 WeakPolarHBondContact O-CB 3.4Å; I203-D206 PolarHBondContact O-N 3.17Å; I203-D206 VanDerWaalsContact O-N 3.07Å; K204-D206 PolarHBondContact O-N 3.32Å; D206-Y210 WeakPolarHBondContact O-CE2 3.3Å; D206-Y210 PolarHBondContact O-OH 3.18Å; D206-M228 HydrophobicContact CB-CE 4.2Å; D206-M228 WeakPolarHBondContact O-CE 3.14Å
207	A	97.6	Very high	97.7	Very high	36 Å²	36	47.6 Å²	47.6	30%	0.298	24%	0.237	S	C	.	.			trans	-66.7	142.2	170.6	0	0	0	0	0	110.8	K204 E205 M228 V230	K204-A207 VanDerWaalsContact O-CB 3.29Å; K204-A207 WeakPolarHBondContact O-CB 3.39Å; K204-A207 PolarHBondContact O-N 2.75Å; K204-A207 VanDerWaalsContact O-N 3.09Å; E205-A207 VanDerWaalsContact C-N 3.29Å; A207-M228 WeakPolarHBondContact CA-O 3.32Å; A207-V230 HydrophobicContact CB-CB 4.43Å; A207-V230 HydrophobicContact CB-CG2 4.13Å
208	G	97.6	Very high	97.6	Very high	12 Å²	12	48.4 Å²	48.4	12%	0.124	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.4	-176	-179.8	0	0	0	0	0	114.2	N169 K227 M228	N169-G208 WeakPolarHBondContact OD1-CA 3.05Å; G208-K227 WeakPolarHBondContact O-CA 3.42Å; G208-M228 PolarHBondContact N-O 3.15Å; G208-M228 PolarHBondContact O-N 2.83Å
209	E	98.6	Very high	97.6	Very high	106 Å²	106	44.3 Å²	44.3	50%	0.495	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.5	173.2	-64.9	-171.2	129.1	0	0	109.9	K168 N169 P225	K168-E209 CarbonylContact C-O 3.57Å; K168-E209 WeakPolarHBondContact CA-O 3.43Å; N169-E209 PolarHBondContact N-O 2.69Å; N169-E209 PolarHBondContact OD1-N 3.16Å; E209-P225 HydrophobicContact CB-CB 4.41Å
210	Y	98.8	Very high	97.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.2	-178	-73.1	-99	0	0	0	111	L151 W166 F167 K168 I173 L197 F199 D206 P225 Q226 M228	L151-Y210 HydrophobicContact CD2-CD1 3.52Å; L151-Y210 HydrophobicContact CD2-CD2 4.29Å; L151-Y210 HydrophobicContact CD2-CE1 4.01Å; L151-Y210 HydrophobicContact CD2-CG 3.66Å; W166-Y210 HydrophobicContact CE3-CD1 4.34Å; F167-Y210 VanDerWaalsContact O-CA 3.27Å; F167-Y210 WeakPolarHBondContact O-CA 3.42Å; K168-Y210 HydrophobicContact CB-CD1 4.24Å; K168-Y210 HydrophobicContact CB-CE1 3.95Å; K168-Y210 HydrophobicContact CD-CE1 4.13Å; K168-Y210 HydrophobicContact CD-CE2 4.04Å; K168-Y210 VanDerWaalsContact CD-OH 3.27Å; K168-Y210 WeakPolarHBondContact CD-OH 3.3Å; K168-Y210 HydrophobicContact CG-CD2 4.5Å; K168-Y210 HydrophobicContact CG-CE1 4.08Å; K168-Y210 HydrophobicContact CG-CE2 3.98Å; I173-Y210 HydrophobicContact CD1-CD1 4Å; I173-Y210 HydrophobicContact CD1-CE1 3.64Å; L197-Y210 HydrophobicContact CD2-CD1 4.24Å; L197-Y210 HydrophobicContact CD2-CE1 4Å; F199-Y210 HydrophobicContact CZ-CE1 4.11Å; D206-Y210 WeakPolarHBondContact O-CE2 3.3Å; D206-Y210 PolarHBondContact O-OH 3.18Å; Y210-P225 CarbonylContact O-C 3.57Å; Y210-P225 WeakPolarHBondContact O-CA 3.28Å; Y210-Q226 PolarHBondContact N-O 2.9Å; Y210-Q226 PolarHBondContact O-N 3.01Å; Y210-M228 HydrophobicContact CD2-CB 4.05Å; Y210-M228 HydrophobicContact CE2-CB 4.09Å; Y210-M228 HydrophobicContact CE2-CE 3.73Å
211	Y	98.8	Very high	97.6	Very high	30 Å²	30	45.2 Å²	45.2	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160.9	164.4	64.6	-84.5	0	0	0	109.7	W166 F167 Q222 P225	W166-Y211 VanDerWaalsContact CE3-O 3.31Å; F167-Y211 HydrophobicContact CB-CD1 3.78Å; F167-Y211 HydrophobicContact CB-CD2 4Å; F167-Y211 HydrophobicContact CB-CE1 3.35Å; F167-Y211 HydrophobicContact CB-CE2 3.58Å; F167-Y211 HydrophobicContact CB-CG 4.09Å; F167-Y211 HydrophobicContact CD1-CE2 4.09Å; F167-Y211 AromaticContact CD1-CZ 3.76Å; F167-Y211 VanDerWaalsContact CD1-OH 3.24Å; F167-Y211 WeakPolarHBondContact CD1-OH 3.49Å; F167-Y211 AromaticContact CD2-CD2 3.97Å; F167-Y211 HydrophobicContact CD2-CD2 3.97Å; F167-Y211 AromaticContact CD2-CE2 3.47Å; F167-Y211 HydrophobicContact CD2-CE2 3.47Å; F167-Y211 VanDerWaalsContact CD2-CE2 3.47Å; F167-Y211 AromaticContact CD2-CZ 3.94Å; F167-Y211 HydrophobicContact CE2-CE2 4.21Å; F167-Y211 HydrophobicContact CG-CD2 4.16Å; F167-Y211 HydrophobicContact CG-CE1 4.05Å; F167-Y211 AromaticContact CG-CE2 3.43Å; F167-Y211 HydrophobicContact CG-CE2 3.43Å; F167-Y211 VanDerWaalsContact CG-CE2 3.43Å; F167-Y211 AromaticContact CG-CZ 3.36Å; F167-Y211 WeakPolarHBondContact CG-OH 3.39Å; F167-Y211 PolarHBondContact N-O 3.16Å; F167-Y211 PolarHBondContact O-N 2.78Å; F167-Y211 VanDerWaalsContact O-N 3.08Å; Y211-Q222 HydrophobicContact CD2-CB 4.46Å; Y211-P225 HydrophobicContact CD1-CG 4.23Å
212	C	98.6	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.4	177.3	165.5	0	0	0	0	110.4	C153 Q165 W166 Q222 C223	C153-C212 HydrophobicContact CB-CB 3.47Å; C153-C212 VanDerWaalsContact CB-CB 3.47Å; C153-C212 WeakPolarHBondContact CB-SG 2.9Å; C153-C212 WeakPolarHBondContact SG-CB 3.44Å; C153-C212 CovalentContact SG-SG 2.02Å; C153-C212 PolarHBondContact SG-SG 3.36Å; Q165-C212 CarbonylContact O-C 3.48Å; Q165-C212 VanDerWaalsContact O-CA 3.27Å; Q165-C212 WeakPolarHBondContact O-CA 3.23Å; W166-C212 HydrophobicContact CD2-CB 3.78Å; W166-C212 HydrophobicContact CE3-CB 3.85Å; W166-C212 HydrophobicContact CG-CB 4.37Å; W166-C212 HydrophobicContact CH2-CB 4.06Å; W166-C212 HydrophobicContact CZ2-CB 4Å; W166-C212 HydrophobicContact CZ3-CB 3.97Å; C212-Q222 VanDerWaalsContact O-CA 3.22Å; C212-Q222 WeakPolarHBondContact O-CA 3.44Å; C212-Q222 WeakPolarHBondContact O-CB 3.29Å; C212-C223 PolarHBondContact N-SG 2.89Å; C212-C223 PolarHBondContact O-N 3.38Å; C212-C223 VanDerWaalsContact O-N 3.07Å
213	R	98.6	Very high	97.7	Very high	52 Å²	52	48 Å²	48	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.2	172.3	-180	175.4	71.1	-163.6	-1.9	108.8	Y164 Q165 F167 E172 H220 A221 Q222	Y164-R213 WeakPolarHBondContact CA-O 3.07Å; Q165-R213 HydrophobicContact CB-CB 4.5Å; Q165-R213 PolarHBondContact N-O 3.08Å; Q165-R213 PolarHBondContact O-N 2.91Å; F167-R213 HydrophobicContact CE2-CB 3.87Å; E172-R213 IonicContact OE2-NH2 2.69Å; R213-H220 HydrophobicContact CG-CB 3.92Å; R213-A221 CarbonylContact C-O 3.54Å; R213-A221 WeakPolarHBondContact CA-O 3.36Å; R213-Q222 HydrophobicContact CB-CB 4.18Å
214	A	98.8	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.9	165.1	0	0	0	0	0	108.9	P132 P135 E155 Q163 Y164 H220 A221	P132-A214 HydrophobicContact CB-CB 3.95Å; P135-A214 HydrophobicContact CB-CB 4.24Å; P135-A214 HydrophobicContact CG-CB 4.14Å; E155-A214 HydrophobicContact CG-CB 3.66Å; Q163-A214 CarbonylContact O-C 3.53Å; Q163-A214 WeakPolarHBondContact O-CA 3.14Å; Y164-A214 HydrophobicContact CD1-CB 3.89Å; Y164-A214 HydrophobicContact CE1-CB 3.76Å; A214-H220 CarbonylContact O-C 3.38Å; A214-H220 WeakPolarHBondContact O-CA 3.27Å; A214-H220 VanDerWaalsContact O-CB 3.28Å; A214-H220 WeakPolarHBondContact O-CB 3.42Å; A214-A221 PolarHBondContact N-O 2.98Å; A214-A221 PolarHBondContact O-N 3.2Å
215	K	98.1	Very high	97.9	Very high	102 Å²	102	48.2 Å²	48.2	44%	0.443	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.9	-175.2	179.6	-178.2	173.6	-169.6	0	111.3	S162 Q163 G219 H220	S162-K215 WeakPolarHBondContact CA-O 3.44Å; Q163-K215 PolarHBondContact N-O 2.74Å; Q163-K215 PolarHBondContact O-N 2.79Å; K215-G219 WeakPolarHBondContact CA-O 3.49Å; K215-H220 HydrophobicContact CB-CB 3.97Å; K215-H220 HydrophobicContact CG-CB 4.14Å
216	N	98	Very high	98.1	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	-170.5	163.5	69.5	13.4	0	0	0	109.9	V130 P132 F159 P160 A218 G219	V130-N216 PolarHBondContact O-ND2 2.67Å; P132-N216 WeakPolarHBondContact CD-OD1 3.41Å; P132-N216 HydrophobicContact CG-CB 4.33Å; F159-N216 PolarHBondContact N-ND2 3.06Å; F159-N216 PolarHBondContact O-ND2 2.94Å; P160-N216 VanDerWaalsContact O-CB 3.26Å; P160-N216 WeakPolarHBondContact O-CB 3.23Å; P160-N216 PolarHBondContact O-ND2 3.47Å; N216-A218 PolarHBondContact O-N 2.8Å; N216-A218 WeakPolarHBondContact OD1-CA 3.26Å; N216-A218 WeakPolarHBondContact OD1-CB 3.31Å; N216-A218 PolarHBondContact OD1-N 3Å; N216-G219 PolarHBondContact N-O 2.96Å; N216-G219 PolarHBondContact O-N 3.49Å; N216-G219 VanDerWaalsContact O-N 3.12Å; N216-G219 PolarHBondContact OD1-N 3.05Å
217	D	96.4	Very high	98.2	Very high	131 Å²	131	50.9 Å²	50.9	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.4	-177.9	-61.4	-25.2	0	0	0	114
218	A	97.2	Very high	98.2	Very high	16 Å²	16	49.2 Å²	49.2	13%	0.132	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.9	175.2	0	0	0	0	0	113.4	R129 K131 N216	R129-A218 HydrophobicContact CB-CB 3.74Å; K131-A218 HydrophobicContact CB-CB 4.27Å; N216-A218 PolarHBondContact O-N 2.8Å; N216-A218 WeakPolarHBondContact OD1-CA 3.26Å; N216-A218 WeakPolarHBondContact OD1-CB 3.31Å; N216-A218 PolarHBondContact OD1-N 3Å
219	G	97.6	Very high	98.2	Very high	21 Å²	21	52.9 Å²	52.9	22%	0.216	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139	-152.2	174.6	0	0	0	0	0	113.2	P132 K215 N216	P132-G219 WeakPolarHBondContact CD-O 3.47Å; K215-G219 WeakPolarHBondContact CA-O 3.49Å; N216-G219 PolarHBondContact N-O 2.96Å; N216-G219 PolarHBondContact O-N 3.49Å; N216-G219 VanDerWaalsContact O-N 3.12Å; N216-G219 PolarHBondContact OD1-N 3.05Å
220	H	98.2	Very high	98.1	Very high	91 Å²	91	49 Å²	49	42%	0.421	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.6	-174.4	65.9	-84.7	0	0	0	113.1	K131 R213 A214 K215	K131-H220 WeakPolarHBondContact CE-O 3.42Å; K131-H220 PolarHBondContact NZ-O 3.44Å; R213-H220 HydrophobicContact CG-CB 3.92Å; A214-H220 CarbonylContact O-C 3.38Å; A214-H220 WeakPolarHBondContact O-CA 3.27Å; A214-H220 VanDerWaalsContact O-CB 3.28Å; A214-H220 WeakPolarHBondContact O-CB 3.42Å; K215-H220 HydrophobicContact CB-CB 3.97Å; K215-H220 HydrophobicContact CG-CB 4.14Å
221	A	98.5	Very high	97.8	Very high	15 Å²	15	51.3 Å²	51.3	12%	0.124	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.5	168.6	0	0	0	0	0	109.4	P132 V133 V134 R213 A214	P132-A221 VanDerWaalsContact O-CB 3.25Å; P132-A221 WeakPolarHBondContact O-CB 3.43Å; V133-A221 WeakPolarHBondContact O-CB 3.5Å; V134-A221 HydrophobicContact CG2-CB 4.43Å; R213-A221 CarbonylContact C-O 3.54Å; R213-A221 WeakPolarHBondContact CA-O 3.36Å; A214-A221 PolarHBondContact N-O 2.98Å; A214-A221 PolarHBondContact O-N 3.2Å
222	Q	98.6	Very high	96.9	Very high	98 Å²	98	57 Å²	57	46%	0.458	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.7	-176.7	67.3	-173.5	17.6	0	0	111	Y211 C212 R213	Y211-Q222 HydrophobicContact CD2-CB 4.46Å; C212-Q222 VanDerWaalsContact O-CA 3.22Å; C212-Q222 WeakPolarHBondContact O-CA 3.44Å; C212-Q222 WeakPolarHBondContact O-CB 3.29Å; R213-Q222 HydrophobicContact CB-CB 4.18Å
223	C	98.4	Very high	95.1	Very high	9 Å²	9	65.1 Å²	65.1	6%	0.061	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-79	162.6	175.6	62.8	0	0	0	0	111.6	P135 C137 C212	P135-C223 HydrophobicContact CG-CB 4.23Å; P135-C223 VanDerWaalsContact O-CB 3.32Å; P135-C223 WeakPolarHBondContact O-CB 3.39Å; C137-C223 HydrophobicContact CB-CB 3.72Å; C137-C223 WeakPolarHBondContact CB-SG 3.38Å; C137-C223 WeakPolarHBondContact SG-CB 3.33Å; C137-C223 CovalentContact SG-SG 2.02Å; C137-C223 PolarHBondContact SG-SG 2.84Å; C212-C223 PolarHBondContact N-SG 2.89Å; C212-C223 PolarHBondContact O-N 3.38Å; C212-C223 VanDerWaalsContact O-N 3.07Å
224	A	98.3	Very high	94.9	Very high	74 Å²	74	65.8 Å²	65.8	61%	0.612	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-64.5	145.3	171.8	0	0	0	0	0	110.9
225	P	98.4	Very high	94.7	Very high	78 Å²	78	69.3 Å²	69.3	51%	0.506	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-57.2	139.6	174.2	-24.2	34	0	0	0	113.2	E209 Y210 Y211	E209-P225 HydrophobicContact CB-CB 4.41Å; Y210-P225 CarbonylContact O-C 3.57Å; Y210-P225 WeakPolarHBondContact O-CA 3.28Å; Y211-P225 HydrophobicContact CD1-CG 4.23Å
226	Q	98.6	Very high	94.5	Very high	63 Å²	63	67.4 Å²	67.4	29%	0.294	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.9	175.8	-62.6	178.6	37.5	0	0	109.2	C137 V139 Y210	C137-Q226 PolarHBondContact O-NE2 3.09Å; V139-Q226 HydrophobicContact CB-CB 3.67Å; V139-Q226 HydrophobicContact CG1-CB 4.29Å; V139-Q226 HydrophobicContact CG2-CB 3.84Å; V139-Q226 HydrophobicContact CG2-CG 4.49Å; V139-Q226 VanDerWaalsContact N-OE1 3.08Å; Y210-Q226 PolarHBondContact N-O 2.9Å; Y210-Q226 PolarHBondContact O-N 3.01Å
227	K	98.4	Very high	94.3	Very high	120 Å²	120	70.6 Å²	70.6	52%	0.522	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.8	-178.5	-166.9	-176	-176.3	-161	0	111.1	G208 E229	G208-K227 WeakPolarHBondContact O-CA 3.42Å; K227-E229 HydrophobicContact CD-CG 4.35Å; K227-E229 WeakPolarHBondContact CE-OE1 3.28Å; K227-E229 HydrophobicContact CG-CG 4.46Å; K227-E229 IonicContact NZ-OE1 3.27Å; K227-E229 PolarHBondContact NZ-OE1 3.09Å
228	M	98.3	Very high	94.2	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127	166.9	-176.6	173.4	76.4	0	0	109.8	V139 P140 V143 A149 L151 F199 D206 A207 G208 Y210	V139-M228 HydrophobicContact CG1-CB 3.82Å; P140-M228 WeakPolarHBondContact O-CA 3.41Å; P140-M228 WeakPolarHBondContact O-CB 3.26Å; P140-M228 WeakPolarHBondContact O-CG 3.38Å; V143-M228 HydrophobicContact CG2-CG 4.29Å; V143-M228 HydrophobicContact CG2-SD 3.98Å; A149-M228 HydrophobicContact CB-SD 4.49Å; L151-M228 HydrophobicContact CD1-SD 4.02Å; F199-M228 HydrophobicContact CE2-CE 4.43Å; D206-M228 HydrophobicContact CB-CE 4.2Å; D206-M228 WeakPolarHBondContact O-CE 3.14Å; A207-M228 WeakPolarHBondContact CA-O 3.32Å; G208-M228 PolarHBondContact N-O 3.15Å; G208-M228 PolarHBondContact O-N 2.83Å; Y210-M228 HydrophobicContact CD2-CB 4.05Å; Y210-M228 HydrophobicContact CE2-CB 4.09Å; Y210-M228 HydrophobicContact CE2-CE 3.73Å
229	E	97.7	Very high	94	Very high	89 Å²	89	70.3 Å²	70.3	42%	0.416	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	148.2	174.1	-61.3	-175.1	165.7	0	0	111.3	K141 S142 V143 K227	K141-E229 PolarHBondContact O-N 2.91Å; S142-E229 CarbonylContact C-O 3.52Å; S142-E229 VanDerWaalsContact CA-O 3.28Å; S142-E229 WeakPolarHBondContact CA-O 3.44Å; V143-E229 PolarHBondContact N-O 3.31Å; K227-E229 HydrophobicContact CD-CG 4.35Å; K227-E229 WeakPolarHBondContact CE-OE1 3.28Å; K227-E229 HydrophobicContact CG-CG 4.46Å; K227-E229 IonicContact NZ-OE1 3.27Å; K227-E229 PolarHBondContact NZ-OE1 3.09Å
230	V	96.9	Very high	93.7	Very high	24 Å²	24	73.8 Å²	73.8	15%	0.145	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.6	175.4	-179.7	0	0	0	0	109.8	V143 F145 V202 I203 A207	V143-V230 VanDerWaalsContact O-CA 3.28Å; V143-V230 WeakPolarHBondContact O-CA 3.43Å; F145-V230 HydrophobicContact CB-CG1 4.23Å; V202-V230 HydrophobicContact CB-CG2 4.38Å; V202-V230 HydrophobicContact CG2-CG1 4.09Å; V202-V230 HydrophobicContact CG2-CG2 4.42Å; I203-V230 WeakPolarHBondContact O-CG2 3.3Å; A207-V230 HydrophobicContact CB-CB 4.43Å; A207-V230 HydrophobicContact CB-CG2 4.13Å
231	C	92.1	Very high	93.4	Very high	50 Å²	50	72.5 Å²	72.5	34%	0.338	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142	-175.2	-68.8	0	0	0	0	111.1	S142 V143 P144 F145	S142-C231 PolarHBondContact OG-SG 3.21Å; V143-C231 PolarHBondContact O-N 3.07Å; P144-C231 CarbonylContact C-O 3.54Å; P144-C231 WeakPolarHBondContact CA-O 3.37Å; F145-C231 PolarHBondContact N-O 3.12Å
232	K	79.6	Confident	92.9	Very high	150 Å²	150	77.3 Å²	77.3	65%	0.652	43%	0.43	S	S	*	.			trans	-85.9	117.6	161.5	-74.9	-169.5	168.1	-171.8	0	107.7
233	C	59.9	Low	92.4	Very high	171 Å²	171	75.4 Å²	75.4	100%	1.155	43%	0.428	S	S	*	.			trans	-72.1	0	160.5	-65.2	0	0	0	0	109.5

Retrieved 233 of 233 residues in 204.8 ms (Link to these results)

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