A0A077ZHH2_TRITR Loading...

VHP and Gelsolin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 559 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	68.2	Low	238 Å²	238	88.9 Å²	88.9	100%	1.172	54%	0.542	S	S	*	.				0	127	0	-75	171.1	-175.5	0	0	106.3
2	S	41.7	Very low	70	Confident	106 Å²	106	81.8 Å²	81.8	74%	0.741	50%	0.5	S	S	*	.			trans	-54.5	135.6	167	47.8	0	0	0	0	108	V4	S2-V4 PolarHBondContact O-N 2.91Å
3	P	51.5	Low	71.3	Confident	80 Å²	80	75.8 Å²	75.8	52%	0.519	46%	0.464	S	S	.	.			trans	-54.5	133	177.8	21.3	-29.6	0	0	0	108.5	C5	P3-C5 VanDerWaalsContact C-N 3.28Å; P3-C5 PolarHBondContact O-N 2.9Å
4	V	55	Low	72.5	Confident	128 Å²	128	79.1 Å²	79.1	78%	0.776	47%	0.473	S	S	*	.			trans	-65.8	97.2	174	177.8	0	0	0	0	105.6	S2	S2-V4 PolarHBondContact O-N 2.91Å
5	C	65.2	Low	73.7	Confident	47 Å²	47	84.7 Å²	84.7	32%	0.318	49%	0.489	S	S	.	.			trans	-98.5	129.7	-178.9	-177.9	0	0	0	0	108.3	P3 L84	P3-C5 VanDerWaalsContact C-N 3.28Å; P3-C5 PolarHBondContact O-N 2.9Å; C5-L84 HydrophobicContact CB-CD2 3.93Å; C5-L84 VanDerWaalsContact SG-CD1 3.52Å; C5-L84 VanDerWaalsContact SG-CD2 3.52Å
6	D	79.8	Confident	74.7	Confident	30 Å²	30	82.4 Å²	82.4	16%	0.16	48%	0.478	C	S	.	.			trans	-59	139.4	170.4	-158.5	-64.3	0	0	0	110	A8 F9 V28 K77	D6-A8 PolarHBondContact O-N 3Å; D6-A8 PolarHBondContact OD1-N 2.91Å; D6-A8 VanDerWaalsContact OD1-N 3.11Å; D6-F9 HydrophobicContact CB-CD2 3.75Å; D6-F9 HydrophobicContact CB-CE2 3.85Å; D6-F9 HydrophobicContact CB-CG 4.31Å; D6-F9 HydrophobicContact CB-CZ 4.49Å; D6-F9 PolarHBondContact O-N 2.71Å; D6-V28 HydrophobicContact CB-CG2 3.94Å; D6-V28 WeakPolarHBondContact OD1-CG2 3.47Å; D6-V28 WeakPolarHBondContact OD2-CG2 3.48Å; D6-K77 IonicContact OD2-NZ 3.09Å; D6-K77 PolarHBondContact OD2-NZ 2.79Å
7	A	83.5	Confident	75.5	Confident	85 Å²	85	79.6 Å²	79.6	70%	0.702	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-58.2	-25.7	179.9	0	0	0	0	0	112.2	F9 V10	A7-F9 PolarHBondContact O-N 3.03Å; A7-V10 WeakPolarHBondContact O-CG2 3.43Å
8	A	85.4	Confident	76.4	Confident	32 Å²	32	76.8 Å²	76.8	26%	0.264	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-68	-13.8	177.1	0	0	0	0	0	114.4	D6 V28	D6-A8 PolarHBondContact O-N 3Å; D6-A8 PolarHBondContact OD1-N 2.91Å; D6-A8 VanDerWaalsContact OD1-N 3.11Å; A8-V28 HydrophobicContact CB-CB 4.43Å; A8-V28 HydrophobicContact CB-CG2 3.63Å
9	F	88.3	Confident	77.3	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.018	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-103.9	0.5	-174.4	-57.1	-31.2	0	0	0	114.8	D6 A7 D11 A12 W21 V28 L46 K77 E80 L81 L84	D6-F9 HydrophobicContact CB-CD2 3.75Å; D6-F9 HydrophobicContact CB-CE2 3.85Å; D6-F9 HydrophobicContact CB-CG 4.31Å; D6-F9 HydrophobicContact CB-CZ 4.49Å; D6-F9 PolarHBondContact O-N 2.71Å; A7-F9 PolarHBondContact O-N 3.03Å; F9-D11 PolarHBondContact O-N 3.22Å; F9-D11 VanDerWaalsContact O-N 3.14Å; F9-A12 HydrophobicContact CB-CB 4.24Å; F9-A12 WeakPolarHBondContact O-CB 2.96Å; F9-A12 PolarHBondContact O-N 3.24Å; F9-W21 HydrophobicContact CD1-CZ2 4.23Å; F9-W21 HydrophobicContact CE1-CD2 4.32Å; F9-V28 HydrophobicContact CE1-CB 4.34Å; F9-V28 HydrophobicContact CE1-CG1 4.33Å; F9-V28 HydrophobicContact CE1-CG2 3.94Å; F9-V28 HydrophobicContact CZ-CB 4.39Å; F9-V28 HydrophobicContact CZ-CG1 4.02Å; F9-V28 HydrophobicContact CZ-CG2 3.89Å; F9-L46 HydrophobicContact CE1-CD2 3.79Å; F9-L46 HydrophobicContact CZ-CD2 3.56Å; F9-K77 HydrophobicContact CE2-CD 4.36Å; F9-K77 HydrophobicContact CZ-CB 4.34Å; F9-K77 HydrophobicContact CZ-CD 4.41Å; F9-E80 HydrophobicContact CE2-CB 4.3Å; F9-L81 HydrophobicContact CB-CD1 4.3Å; F9-L81 HydrophobicContact CD1-CD1 4.02Å; F9-L81 HydrophobicContact CD2-CB 4.41Å; F9-L81 HydrophobicContact CD2-CD1 4.29Å; F9-L81 HydrophobicContact CE1-CD1 4.39Å; F9-L81 HydrophobicContact CE2-CB 4.1Å; F9-L81 HydrophobicContact CG-CD1 3.98Å; F9-L81 HydrophobicContact CZ-CB 4.24Å; F9-L84 HydrophobicContact CB-CD1 3.51Å; F9-L84 HydrophobicContact CD2-CD1 4.2Å; F9-L84 HydrophobicContact CG-CD1 4.22Å
10	V	83.2	Confident	78.2	Confident	102 Å²	102	72 Å²	72	62%	0.618	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-38.3	-174.5	173.1	0	0	0	0	113	A7	A7-V10 WeakPolarHBondContact O-CG2 3.43Å
11	D	85	Confident	79	Confident	126 Å²	126	69.1 Å²	69.1	67%	0.674	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	10.6	-180	-62.7	-45.8	0	0	0	113.2	F9 G13 M14	F9-D11 PolarHBondContact O-N 3.22Å; F9-D11 VanDerWaalsContact O-N 3.14Å; D11-G13 PolarHBondContact O-N 2.85Å; D11-M14 VanDerWaalsContact O-CG 3.27Å; D11-M14 WeakPolarHBondContact O-CG 3.44Å; D11-M14 PolarHBondContact O-N 3.23Å
12	A	89.7	Confident	81.9	Confident	4 Å²	4	58.1 Å²	58.1	3%	0.033	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	134.2	-173.4	0	0	0	0	0	111.4	F9 M14 E19 W21 L48 L81	F9-A12 HydrophobicContact CB-CB 4.24Å; F9-A12 WeakPolarHBondContact O-CB 2.96Å; F9-A12 PolarHBondContact O-N 3.24Å; A12-M14 PolarHBondContact O-N 3.14Å; A12-E19 WeakPolarHBondContact CA-OE2 3.19Å; A12-W21 HydrophobicContact CB-CH2 4.09Å; A12-W21 HydrophobicContact CB-CZ2 4.18Å; A12-L48 HydrophobicContact CB-CD2 4Å; A12-L81 HydrophobicContact CB-CD1 3.99Å
13	G	87	Confident	84.4	Confident	3 Å²	3	53 Å²	53	3%	0.031	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	9	175.3	0	0	0	0	0	116.1	D11 K15 E19 T50 H56	D11-G13 PolarHBondContact O-N 2.85Å; G13-K15 PolarHBondContact O-N 3.39Å; G13-E19 PolarHBondContact N-OE2 3.05Å; G13-T50 VanDerWaalsContact CA-OG1 3.32Å; G13-T50 WeakPolarHBondContact CA-OG1 3.39Å; G13-H56 PolarHBondContact O-CE1 3.05Å
14	M	87.5	Confident	86.3	Confident	122 Å²	122	50.7 Å²	50.7	60%	0.601	30%	0.296	S	S	*	.	S	Bend	trans	-70	-13.3	-180	-66.7	-66	135.9	0	0	114.2	D11 A12	D11-M14 VanDerWaalsContact O-CG 3.27Å; D11-M14 WeakPolarHBondContact O-CG 3.44Å; D11-M14 PolarHBondContact O-N 3.23Å; A12-M14 PolarHBondContact O-N 3.14Å
15	K	91.3	Very high	87.8	Confident	163 Å²	163	50.9 Å²	50.9	71%	0.709	29%	0.288	S	S	*	.	S	Bend	trans	-137.6	148.9	178.2	-63.2	177.2	-174.5	170.2	0	110.4	G13 G17	G13-K15 PolarHBondContact O-N 3.39Å; K15-G17 PolarHBondContact O-N 3.19Å
16	P	89.3	Confident	88.8	Confident	48 Å²	48	54.6 Å²	54.6	31%	0.312	30%	0.299	S	S	.	.	S	Bend	trans	-55.7	137.9	170.1	-25.1	34.9	0	0	0	111.5	T50 F54	P16-T50 WeakPolarHBondContact CA-O 3.29Å; P16-F54 HydrophobicContact CG-CE2 4.42Å; P16-F54 HydrophobicContact CG-CZ 4.16Å
17	G	88.1	Confident	89.2	Confident	35 Å²	35	57.5 Å²	57.5	36%	0.361	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	142.5	-166.5	-178.8	0	0	0	0	0	114.3	K15 H49 T50	K15-G17 PolarHBondContact O-N 3.19Å; G17-H49 WeakPolarHBondContact O-CA 3.33Å; G17-T50 PolarHBondContact N-O 2.97Å; G17-T50 PolarHBondContact O-N 3.47Å
18	L	91.5	Very high	89.6	Confident	29 Å²	29	53.8 Å²	53.8	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.2	-177	-164.2	73.2	0	0	0	110.6	I20 Y36 I47 L48 H49 Y106 F107	L18-I20 HydrophobicContact CD2-CD1 3.91Å; L18-I20 HydrophobicContact CD2-CG1 4.23Å; L18-I20 HydrophobicContact CG-CD1 4.43Å; L18-I20 HydrophobicContact CG-CG1 4.2Å; L18-Y36 HydrophobicContact CB-CE2 4.15Å; L18-Y36 HydrophobicContact CD2-CD2 3.97Å; L18-Y36 HydrophobicContact CD2-CE2 4.22Å; L18-Y36 HydrophobicContact CG-CE2 4.31Å; L18-Y36 VanDerWaalsContact O-CE2 3.23Å; L18-Y36 WeakPolarHBondContact O-CE2 3.47Å; L18-Y36 PolarHBondContact O-OH 3.39Å; L18-I47 HydrophobicContact CD1-CG2 3.52Å; L18-I47 HydrophobicContact CG-CG2 4.17Å; L18-L48 WeakPolarHBondContact CA-O 3.43Å; L18-H49 HydrophobicContact CD1-CB 3.94Å; L18-Y106 HydrophobicContact CD1-CD1 4.46Å; L18-Y106 HydrophobicContact CD1-CD2 3.89Å; L18-Y106 HydrophobicContact CD1-CG 3.86Å; L18-F107 HydrophobicContact CD2-CE1 4.1Å; L18-F107 HydrophobicContact CD2-CZ 4.37Å
19	E	93.8	Very high	89.9	Confident	56 Å²	56	54.3 Å²	54.3	26%	0.262	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.3	175.3	-62.7	179.2	151	0	0	108.7	A12 G13 W21 Y36 I47 L48	A12-E19 WeakPolarHBondContact CA-OE2 3.19Å; G13-E19 PolarHBondContact N-OE2 3.05Å; E19-W21 HydrophobicContact CB-CH2 3.34Å; E19-W21 HydrophobicContact CB-CZ2 3.93Å; E19-W21 HydrophobicContact CB-CZ3 3.72Å; E19-W21 HydrophobicContact CG-CH2 4.36Å; E19-Y36 WeakPolarHBondContact CA-OH 3.41Å; E19-I47 CarbonylContact O-C 3.07Å; E19-I47 WeakPolarHBondContact O-CA 3.43Å; E19-L48 HydrophobicContact CB-CB 4.41Å; E19-L48 PolarHBondContact N-O 3.47Å; E19-L48 PolarHBondContact O-N 3.47Å
20	I	94.4	Very high	90.1	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.1	-177.3	-52.3	-178.9	0	0	0	109.8	L18 L31 Y36 F39 Y45 L46 I47 F107	L18-I20 HydrophobicContact CD2-CD1 3.91Å; L18-I20 HydrophobicContact CD2-CG1 4.23Å; L18-I20 HydrophobicContact CG-CD1 4.43Å; L18-I20 HydrophobicContact CG-CG1 4.2Å; I20-L31 HydrophobicContact CB-CB 4.38Å; I20-L31 HydrophobicContact CB-CD1 4.09Å; I20-L31 HydrophobicContact CG2-CB 4.47Å; I20-L31 HydrophobicContact CG2-CD1 3.41Å; I20-L31 VanDerWaalsContact CG2-CD1 3.41Å; I20-L31 HydrophobicContact CG2-CG 4.13Å; I20-L31 PolarHBondContact O-N 2.66Å; I20-Y36 HydrophobicContact CB-CD1 4.23Å; I20-Y36 HydrophobicContact CB-CE1 3.86Å; I20-Y36 HydrophobicContact CD1-CD1 3.8Å; I20-Y36 HydrophobicContact CD1-CD2 3.9Å; I20-Y36 HydrophobicContact CD1-CE1 4.15Å; I20-Y36 HydrophobicContact CD1-CE2 4.24Å; I20-Y36 HydrophobicContact CD1-CG 3.66Å; I20-Y36 HydrophobicContact CG1-CD1 4.16Å; I20-Y36 HydrophobicContact CG1-CD2 4.31Å; I20-Y36 HydrophobicContact CG1-CE1 3.98Å; I20-Y36 HydrophobicContact CG1-CE2 4.13Å; I20-Y36 HydrophobicContact CG1-CG 4.32Å; I20-Y36 PolarHBondContact N-OH 3.07Å; I20-F39 HydrophobicContact CD1-CZ 4.48Å; I20-Y45 HydrophobicContact CG2-CD1 4.23Å; I20-L46 CarbonylContact C-O 3.22Å; I20-L46 WeakPolarHBondContact CA-O 3.33Å; I20-I47 HydrophobicContact CD1-CG1 4.42Å; I20-I47 HydrophobicContact CG1-CG1 4.08Å; I20-I47 HydrophobicContact CG1-CG2 4.17Å; I20-I47 HydrophobicContact CG2-CG1 4.04Å; I20-F107 HydrophobicContact CD1-CE1 3.66Å; I20-F107 HydrophobicContact CD1-CZ 4.06Å
21	W	95.2	Very high	90.4	Very high	11 Å²	11	54 Å²	54	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.7	172.2	-56.7	-99.9	0	0	0	110.1	F9 A12 E19 V28 V29 Y45 L46 L48 L81	F9-W21 HydrophobicContact CD1-CZ2 4.23Å; F9-W21 HydrophobicContact CE1-CD2 4.32Å; A12-W21 HydrophobicContact CB-CH2 4.09Å; A12-W21 HydrophobicContact CB-CZ2 4.18Å; E19-W21 HydrophobicContact CB-CH2 3.34Å; E19-W21 HydrophobicContact CB-CZ2 3.93Å; E19-W21 HydrophobicContact CB-CZ3 3.72Å; E19-W21 HydrophobicContact CG-CH2 4.36Å; W21-V28 HydrophobicContact CB-CB 4.06Å; W21-V28 HydrophobicContact CB-CG1 4.38Å; W21-V28 HydrophobicContact CG-CB 4.3Å; W21-V29 CarbonylContact C-O 3.57Å; W21-V29 VanDerWaalsContact CA-O 3.24Å; W21-V29 WeakPolarHBondContact CA-O 3.26Å; W21-Y45 CarbonylContact O-C 3.48Å; W21-Y45 VanDerWaalsContact O-CA 3.25Å; W21-Y45 WeakPolarHBondContact O-CA 3.47Å; W21-Y45 WeakPolarHBondContact O-CB 3.39Å; W21-L46 HydrophobicContact CB-CB 4.44Å; W21-L46 HydrophobicContact CE3-CB 4.38Å; W21-L46 HydrophobicContact CE3-CD2 4.43Å; W21-L46 HydrophobicContact CE3-CG 4.39Å; W21-L46 PolarHBondContact N-O 3.42Å; W21-L46 PolarHBondContact O-N 3.16Å; W21-L48 HydrophobicContact CH2-CB 4Å; W21-L48 HydrophobicContact CH2-CD2 4.31Å; W21-L48 HydrophobicContact CZ3-CB 3.67Å; W21-L81 HydrophobicContact CZ3-CD2 4.43Å
22	R	94.2	Very high	90.4	Very high	7 Å²	7	50 Å²	50	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.2	169.1	-175.8	176.9	179.5	-150.3	12.5	109	E24 V29 L31 D43 Y45 V139 F143	R22-E24 HydrophobicContact CB-CG 4.42Å; R22-E24 WeakPolarHBondContact CD-OE1 3.48Å; R22-E24 HydrophobicContact CG-CG 4.02Å; R22-E24 IonicContact CZ-OE1 3.81Å; R22-E24 IonicContact NE-OE1 2.74Å; R22-E24 IonicContact NH1-OE1 2.69Å; R22-E24 PolarHBondContact NH1-OE1 3.47Å; R22-E24 PolarHBondContact O-N 3.13Å; R22-V29 PolarHBondContact N-O 3.41Å; R22-V29 PolarHBondContact O-N 3.02Å; R22-L31 HydrophobicContact CB-CD2 4.02Å; R22-L31 HydrophobicContact CB-CG 4.37Å; R22-D43 IonicContact CZ-OD2 2.76Å; R22-D43 IonicContact NE-OD2 3.62Å; R22-D43 PolarHBondContact NE-OD2 3.17Å; R22-D43 IonicContact NH2-OD1 2.74Å; R22-D43 IonicContact NH2-OD2 3.67Å; R22-D43 PolarHBondContact NH2-OD2 2.8Å; R22-Y45 HydrophobicContact CB-CD1 3.84Å; R22-Y45 HydrophobicContact CB-CE1 3.7Å; R22-Y45 HydrophobicContact CG-CD1 4.12Å; R22-Y45 HydrophobicContact CG-CE1 3.68Å; R22-V139 VanDerWaalsContact CZ-CG2 3.49Å; R22-F143 PolarHBondContact NH1-O 3.13Å; R22-F143 PolarHBondContact NH2-O 2.91Å
23	I	93.2	Very high	90	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	113.7	172.7	-57.5	-55.1	0	0	0	108.8	N27 V28 A44 E70 T73 A74	I23-N27 WeakPolarHBondContact CA-O 3.49Å; I23-V28 HydrophobicContact CD1-CG1 3.55Å; I23-A44 HydrophobicContact CB-CB 4.36Å; I23-A44 WeakPolarHBondContact CB-O 3.36Å; I23-A44 HydrophobicContact CG1-CB 4.11Å; I23-A44 WeakPolarHBondContact CG1-O 3.27Å; I23-A44 PolarHBondContact N-O 3.1Å; I23-E70 HydrophobicContact CG2-CG 4.41Å; I23-T73 HydrophobicContact CD1-CG2 4.35Å; I23-T73 HydrophobicContact CG2-CG2 3.71Å; I23-A74 HydrophobicContact CD1-CB 4.49Å; I23-A74 HydrophobicContact CG1-CB 4.01Å
24	E	91.2	Very high	89.2	Confident	31 Å²	31	62.2 Å²	62.2	15%	0.145	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	111.1	176.5	-52.5	-162.7	169.2	0	0	109.9	R22 F26 N27 V29 V139	R22-E24 HydrophobicContact CB-CG 4.42Å; R22-E24 WeakPolarHBondContact CD-OE1 3.48Å; R22-E24 HydrophobicContact CG-CG 4.02Å; R22-E24 IonicContact CZ-OE1 3.81Å; R22-E24 IonicContact NE-OE1 2.74Å; R22-E24 IonicContact NH1-OE1 2.69Å; R22-E24 PolarHBondContact NH1-OE1 3.47Å; R22-E24 PolarHBondContact O-N 3.13Å; E24-F26 PolarHBondContact O-N 2.9Å; E24-N27 PolarHBondContact N-O 3.24Å; E24-N27 WeakPolarHBondContact O-CB 3.4Å; E24-N27 PolarHBondContact O-N 3.37Å; E24-V29 HydrophobicContact CB-CG2 3.89Å; E24-V29 HydrophobicContact CG-CB 4.18Å; E24-V29 HydrophobicContact CG-CG2 3.87Å; E24-V139 HydrophobicContact CB-CG1 4.44Å; E24-V139 HydrophobicContact CB-CG2 4.14Å; E24-V139 HydrophobicContact CG-CG2 3.75Å
25	Q	86.4	Confident	88.8	Confident	131 Å²	131	59 Å²	59	61%	0.612	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	54.2	175.9	-59.2	178.3	-44.6	0	0	113	N27 V139	Q25-N27 PolarHBondContact O-N 3.48Å; Q25-N27 PolarHBondContact O-ND2 3.23Å; Q25-V139 HydrophobicContact CG-CG1 4.19Å
26	F	86	Confident	88.5	Confident	126 Å²	126	53 Å²	53	55%	0.553	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	1	-177.8	-52.9	-84.4	0	0	0	116.6	E24 D69 T73	E24-F26 PolarHBondContact O-N 2.9Å; F26-D69 HydrophobicContact CE1-CB 3.89Å; F26-D69 HydrophobicContact CZ-CB 3.83Å; F26-T73 HydrophobicContact CB-CG2 4.47Å; F26-T73 WeakPolarHBondContact CD1-OG1 3.17Å
27	N	89.1	Confident	88.1	Confident	91 Å²	91	50.9 Å²	50.9	49%	0.487	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	152.3	178.4	-56	-72.7	0	0	0	111.6	I23 E24 Q25	I23-N27 WeakPolarHBondContact CA-O 3.49Å; E24-N27 PolarHBondContact N-O 3.24Å; E24-N27 WeakPolarHBondContact O-CB 3.4Å; E24-N27 PolarHBondContact O-N 3.37Å; Q25-N27 PolarHBondContact O-N 3.48Å; Q25-N27 PolarHBondContact O-ND2 3.23Å
28	V	91.2	Very high	87.9	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.8	171.3	-79.7	0	0	0	0	110.1	D6 A8 F9 W21 I23 L46 K77	D6-V28 HydrophobicContact CB-CG2 3.94Å; D6-V28 WeakPolarHBondContact OD1-CG2 3.47Å; D6-V28 WeakPolarHBondContact OD2-CG2 3.48Å; A8-V28 HydrophobicContact CB-CB 4.43Å; A8-V28 HydrophobicContact CB-CG2 3.63Å; F9-V28 HydrophobicContact CE1-CB 4.34Å; F9-V28 HydrophobicContact CE1-CG1 4.33Å; F9-V28 HydrophobicContact CE1-CG2 3.94Å; F9-V28 HydrophobicContact CZ-CB 4.39Å; F9-V28 HydrophobicContact CZ-CG1 4.02Å; F9-V28 HydrophobicContact CZ-CG2 3.89Å; W21-V28 HydrophobicContact CB-CB 4.06Å; W21-V28 HydrophobicContact CB-CG1 4.38Å; W21-V28 HydrophobicContact CG-CB 4.3Å; I23-V28 HydrophobicContact CD1-CG1 3.55Å; V28-L46 HydrophobicContact CG1-CD2 4.42Å; V28-K77 HydrophobicContact CG1-CB 3.97Å; V28-K77 HydrophobicContact CG1-CD 3.95Å; V28-K77 HydrophobicContact CG1-CG 3.83Å; V28-K77 HydrophobicContact CG2-CD 4.29Å
29	V	92.6	Very high	87.7	Confident	43 Å²	43	50.1 Å²	50.1	26%	0.261	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.1	-177.8	-178.7	0	0	0	0	109.6	W21 R22 E24 L31	W21-V29 CarbonylContact C-O 3.57Å; W21-V29 VanDerWaalsContact CA-O 3.24Å; W21-V29 WeakPolarHBondContact CA-O 3.26Å; R22-V29 PolarHBondContact N-O 3.41Å; R22-V29 PolarHBondContact O-N 3.02Å; E24-V29 HydrophobicContact CB-CG2 3.89Å; E24-V29 HydrophobicContact CG-CB 4.18Å; E24-V29 HydrophobicContact CG-CG2 3.87Å; V29-L31 PolarHBondContact O-N 3.2Å
30	P	92.4	Very high	87.5	Confident	72 Å²	72	49.6 Å²	49.6	47%	0.468	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.8	-178.4	25.2	-33.3	0	0	0	111.8	R145	P30-R145 PolarHBondContact O-NH2 3.34Å
31	L	89.1	Confident	87.3	Confident	26 Å²	26	49.8 Å²	49.8	14%	0.136	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-79.7	139.7	173.7	-73.6	-176.2	0	0	0	111	I20 R22 V29 Y36 Y45	I20-L31 HydrophobicContact CB-CB 4.38Å; I20-L31 HydrophobicContact CB-CD1 4.09Å; I20-L31 HydrophobicContact CG2-CB 4.47Å; I20-L31 HydrophobicContact CG2-CD1 3.41Å; I20-L31 VanDerWaalsContact CG2-CD1 3.41Å; I20-L31 HydrophobicContact CG2-CG 4.13Å; I20-L31 PolarHBondContact O-N 2.66Å; R22-L31 HydrophobicContact CB-CD2 4.02Å; R22-L31 HydrophobicContact CB-CG 4.37Å; V29-L31 PolarHBondContact O-N 3.2Å; L31-Y36 HydrophobicContact CB-CD1 4.27Å; L31-Y36 HydrophobicContact CB-CE1 4.07Å; L31-Y45 HydrophobicContact CD1-CD1 3.82Å; L31-Y45 HydrophobicContact CD1-CE1 3.68Å; L31-Y45 HydrophobicContact CD2-CE1 4.34Å; L31-Y45 HydrophobicContact CG-CE1 4.38Å
32	P	84.5	Confident	87	Confident	42 Å²	42	49.9 Å²	49.9	27%	0.273	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-58.5	143.8	164.1	-20	33.3	0	0	0	110.8	S34 D35 Y36	P32-S34 PolarHBondContact O-N 3.36Å; P32-S34 VanDerWaalsContact O-N 3.12Å; P32-D35 PolarHBondContact O-N 3.43Å; P32-Y36 WeakPolarHBondContact O-CD1 3.42Å
33	R	81.2	Confident	87	Confident	207 Å²	207	49.5 Å²	49.5	78%	0.781	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58.8	-25.9	177.6	-70.7	-174.9	177.1	-170.2	-2.5	113.7	D35 Y36	R33-D35 PolarHBondContact O-N 3.31Å; R33-Y36 HydrophobicContact CG-CE1 4.42Å; R33-Y36 HydrophobicContact CG-CE2 4.28Å; R33-Y36 WeakPolarHBondContact O-CB 3.24Å; R33-Y36 PolarHBondContact O-N 3.42Å
34	S	71.1	Confident	87	Confident	57 Å²	57	49.5 Å²	49.5	40%	0.399	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.4	-30.6	173.8	52.2	0	0	0	0	112.7	P32 R109	P32-S34 PolarHBondContact O-N 3.36Å; P32-S34 VanDerWaalsContact O-N 3.12Å; S34-R109 PolarHBondContact O-NH2 2.9Å
35	D	79.6	Confident	87.2	Confident	56 Å²	56	48.1 Å²	48.1	30%	0.299	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-95.6	0.5	-171.2	-57.2	-0.1	0	0	0	111.3	P32 R33 G37 F38	P32-D35 PolarHBondContact O-N 3.43Å; R33-D35 PolarHBondContact O-N 3.31Å; D35-G37 PolarHBondContact O-N 3.25Å; D35-F38 WeakPolarHBondContact O-CB 3.41Å; D35-F38 PolarHBondContact O-N 3.25Å
36	Y	85.1	Confident	87.6	Confident	37 Å²	37	41.9 Å²	41.9	15%	0.145	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	126.1	177.4	-78.1	20.3	0	0	0	110.5	L18 E19 I20 L31 P32 R33 R109	L18-Y36 HydrophobicContact CB-CE2 4.15Å; L18-Y36 HydrophobicContact CD2-CD2 3.97Å; L18-Y36 HydrophobicContact CD2-CE2 4.22Å; L18-Y36 HydrophobicContact CG-CE2 4.31Å; L18-Y36 VanDerWaalsContact O-CE2 3.23Å; L18-Y36 WeakPolarHBondContact O-CE2 3.47Å; L18-Y36 PolarHBondContact O-OH 3.39Å; E19-Y36 WeakPolarHBondContact CA-OH 3.41Å; I20-Y36 HydrophobicContact CB-CD1 4.23Å; I20-Y36 HydrophobicContact CB-CE1 3.86Å; I20-Y36 HydrophobicContact CD1-CD1 3.8Å; I20-Y36 HydrophobicContact CD1-CD2 3.9Å; I20-Y36 HydrophobicContact CD1-CE1 4.15Å; I20-Y36 HydrophobicContact CD1-CE2 4.24Å; I20-Y36 HydrophobicContact CD1-CG 3.66Å; I20-Y36 HydrophobicContact CG1-CD1 4.16Å; I20-Y36 HydrophobicContact CG1-CD2 4.31Å; I20-Y36 HydrophobicContact CG1-CE1 3.98Å; I20-Y36 HydrophobicContact CG1-CE2 4.13Å; I20-Y36 HydrophobicContact CG1-CG 4.32Å; I20-Y36 PolarHBondContact N-OH 3.07Å; L31-Y36 HydrophobicContact CB-CD1 4.27Å; L31-Y36 HydrophobicContact CB-CE1 4.07Å; P32-Y36 WeakPolarHBondContact O-CD1 3.42Å; R33-Y36 HydrophobicContact CG-CE1 4.42Å; R33-Y36 HydrophobicContact CG-CE2 4.28Å; R33-Y36 WeakPolarHBondContact O-CB 3.24Å; R33-Y36 PolarHBondContact O-N 3.42Å; Y36-R109 PolarHBondContact O-NH2 3.17Å
37	G	80.2	Confident	88	Confident	3 Å²	3	35.9 Å²	35.9	3%	0.031	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-9.5	-174.6	0	0	0	0	0	113.7	D35 F107 S133	D35-G37 PolarHBondContact O-N 3.25Å; G37-F107 VanDerWaalsContact CA-CD1 3.43Å; G37-S133 PolarHBondContact O-N 2.94Å
38	F	83.5	Confident	88.3	Confident	47 Å²	47	31.6 Å²	31.6	21%	0.206	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.3	174.1	-62.7	-86	0	0	0	110.4	D35 L135 F211	D35-F38 WeakPolarHBondContact O-CB 3.41Å; D35-F38 PolarHBondContact O-N 3.25Å; F38-L135 HydrophobicContact CB-CD1 3.99Å; F38-L135 HydrophobicContact CD1-CD1 4.35Å; F38-L135 HydrophobicContact CD1-CD2 4.37Å; F38-F211 AromaticContact CE1-CE2 3.98Å; F38-F211 HydrophobicContact CE1-CE2 3.98Å; F38-F211 HydrophobicContact CZ-CE2 4.34Å
39	F	88.5	Confident	88.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.1	-176.5	-63.2	-85.1	0	0	0	110.3	I20 Y45 I47 W61 F103 F107 V132 S133 Y134 L135	I20-F39 HydrophobicContact CD1-CZ 4.48Å; F39-Y45 HydrophobicContact CB-CE2 4.08Å; F39-Y45 AromaticContact CD1-CD1 3.93Å; F39-Y45 HydrophobicContact CD1-CD1 3.93Å; F39-Y45 AromaticContact CD1-CD2 3.55Å; F39-Y45 HydrophobicContact CD1-CD2 3.55Å; F39-Y45 HydrophobicContact CD1-CE1 4.13Å; F39-Y45 AromaticContact CD1-CE2 3.77Å; F39-Y45 HydrophobicContact CD1-CE2 3.77Å; F39-Y45 AromaticContact CD1-CG 3.6Å; F39-Y45 HydrophobicContact CD1-CG 3.6Å; F39-Y45 HydrophobicContact CE1-CD1 4.11Å; F39-Y45 HydrophobicContact CE1-CD2 4.28Å; F39-Y45 AromaticContact CE1-CG 3.89Å; F39-Y45 HydrophobicContact CE1-CG 3.89Å; F39-Y45 HydrophobicContact CG-CE2 4.43Å; F39-I47 HydrophobicContact CE1-CD1 4.36Å; F39-W61 HydrophobicContact CB-CD2 4.36Å; F39-W61 HydrophobicContact CB-CE3 4.13Å; F39-W61 HydrophobicContact CB-CH2 3.56Å; F39-W61 HydrophobicContact CB-CZ2 3.82Å; F39-W61 HydrophobicContact CB-CZ3 3.74Å; F39-W61 HydrophobicContact CD1-CD2 4.08Å; F39-W61 HydrophobicContact CD1-CE3 4.04Å; F39-W61 HydrophobicContact CD1-CG 4.43Å; F39-W61 HydrophobicContact CD1-CZ3 4.46Å; F39-W61 HydrophobicContact CG-CD2 4.27Å; F39-W61 HydrophobicContact CG-CE3 4.35Å; F39-W61 HydrophobicContact CG-CH2 4.45Å; F39-W61 HydrophobicContact CG-CZ2 4.38Å; F39-W61 HydrophobicContact CG-CZ3 4.44Å; F39-F103 HydrophobicContact CE1-CZ 4.37Å; F39-F103 HydrophobicContact CE2-CZ 4.09Å; F39-F103 AromaticContact CZ-CZ 3.76Å; F39-F103 HydrophobicContact CZ-CZ 3.76Å; F39-F107 HydrophobicContact CE2-CD1 4.48Å; F39-F107 AromaticContact CE2-CE1 3.87Å; F39-F107 HydrophobicContact CE2-CE1 3.87Å; F39-F107 HydrophobicContact CE2-CE2 4.31Å; F39-F107 AromaticContact CE2-CZ 3.8Å; F39-F107 HydrophobicContact CE2-CZ 3.8Å; F39-F107 AromaticContact CZ-CE1 3.76Å; F39-F107 HydrophobicContact CZ-CE1 3.76Å; F39-F107 HydrophobicContact CZ-CE2 4.29Å; F39-F107 AromaticContact CZ-CZ 3.5Å; F39-F107 HydrophobicContact CZ-CZ 3.5Å; F39-F107 VanDerWaalsContact CZ-CZ 3.5Å; F39-V132 HydrophobicContact CD2-CG1 3.66Å; F39-V132 HydrophobicContact CE2-CG1 3.99Å; F39-S133 PolarHBondContact N-O 2.81Å; F39-Y134 CarbonylContact O-C 3.55Å; F39-Y134 WeakPolarHBondContact O-CA 3.45Å; F39-L135 PolarHBondContact O-N 3.46Å
40	Y	89.6	Confident	88.2	Confident	46 Å²	46	31.3 Å²	31.3	18%	0.18	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.3	172.8	-75.7	-75.7	0	0	0	110.3	G42 D43 Y45 W61 L135 E136 F143	Y40-G42 PolarHBondContact O-N 3.34Å; Y40-G42 VanDerWaalsContact O-N 3.16Å; Y40-D43 VanDerWaalsContact CB-OD2 3.23Å; Y40-D43 WeakPolarHBondContact CB-OD2 3.48Å; Y40-D43 PolarHBondContact O-N 2.69Å; Y40-D43 VanDerWaalsContact O-N 3.13Å; Y40-Y45 WeakPolarHBondContact CD2-OH 3.39Å; Y40-Y45 PolarHBondContact N-OH 2.73Å; Y40-W61 WeakPolarHBondContact O-CZ3 3.19Å; Y40-L135 CarbonylContact C-O 3.6Å; Y40-L135 VanDerWaalsContact CA-O 3.32Å; Y40-L135 WeakPolarHBondContact CA-O 3.37Å; Y40-L135 HydrophobicContact CD1-CB 3.56Å; Y40-L135 HydrophobicContact CD1-CD1 4.41Å; Y40-L135 HydrophobicContact CE1-CB 3.69Å; Y40-L135 HydrophobicContact CE1-CD1 3.97Å; Y40-L135 HydrophobicContact CE2-CD1 4.26Å; Y40-L135 HydrophobicContact CG-CB 4.21Å; Y40-E136 WeakPolarHBondContact CD1-O 3.35Å; Y40-F143 HydrophobicContact CE1-CB 4.15Å; Y40-F143 HydrophobicContact CE1-CD1 4.42Å; Y40-F143 HydrophobicContact CE1-CG 4.47Å
41	E	88.5	Confident	87.7	Confident	6 Å²	6	28.7 Å²	28.7	3%	0.028	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.2	179.8	-60.6	-168.7	149.1	0	0	112.7	G63 S64 K65 C66 Q96 L135	E41-G63 CarbonylContact O-C 3.59Å; E41-G63 WeakPolarHBondContact O-CA 3.41Å; E41-S64 PolarHBondContact O-N 2.87Å; E41-K65 HydrophobicContact CB-CD 4.21Å; E41-K65 CarbonylContact O-C 3.43Å; E41-K65 WeakPolarHBondContact O-CA 3.16Å; E41-K65 WeakPolarHBondContact O-CB 3.31Å; E41-K65 PolarHBondContact O-N 3.43Å; E41-K65 WeakPolarHBondContact OE2-CE 3.42Å; E41-K65 IonicContact OE2-NZ 2.85Å; E41-K65 PolarHBondContact OE2-NZ 3.34Å; E41-C66 PolarHBondContact O-N 3.34Å; E41-Q96 PolarHBondContact OE1-NE2 3.4Å; E41-L135 WeakPolarHBondContact CG-O 3.45Å; E41-L135 PolarHBondContact N-O 3.26Å
42	G	89.7	Confident	87.4	Confident	12 Å²	12	34.5 Å²	34.5	12%	0.124	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2	-179.9	0	0	0	0	0	115.2	Y40 C66 G137	Y40-G42 PolarHBondContact O-N 3.34Å; Y40-G42 VanDerWaalsContact O-N 3.16Å; G42-C66 WeakPolarHBondContact O-CA 3.43Å; G42-G137 WeakPolarHBondContact CA-O 3.35Å; G42-G137 PolarHBondContact N-O 2.9Å
43	D	93.7	Very high	87.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.185	C	C	.	.			trans	-124.2	171.3	-172.1	-62.3	-27.8	0	0	0	113.4	R22 Y40 Y45 G63 C66 G138 V139	R22-D43 IonicContact CZ-OD2 2.76Å; R22-D43 IonicContact NE-OD2 3.62Å; R22-D43 PolarHBondContact NE-OD2 3.17Å; R22-D43 IonicContact NH2-OD1 2.74Å; R22-D43 IonicContact NH2-OD2 3.67Å; R22-D43 PolarHBondContact NH2-OD2 2.8Å; Y40-D43 VanDerWaalsContact CB-OD2 3.23Å; Y40-D43 WeakPolarHBondContact CB-OD2 3.48Å; Y40-D43 PolarHBondContact O-N 2.69Å; Y40-D43 VanDerWaalsContact O-N 3.13Å; D43-Y45 HydrophobicContact CB-CD2 4.42Å; D43-Y45 HydrophobicContact CB-CE2 3.77Å; D43-G63 WeakPolarHBondContact O-CA 3.33Å; D43-G63 PolarHBondContact O-N 2.99Å; D43-C66 WeakPolarHBondContact O-CB 3.32Å; D43-G138 VanDerWaalsContact CG-CA 3.49Å; D43-G138 WeakPolarHBondContact OD1-CA 3.49Å; D43-G138 WeakPolarHBondContact OD2-CA 3.4Å; D43-V139 PolarHBondContact OD1-N 3.42Å
44	A	93.8	Very high	87.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151.6	167.9	0	0	0	0	0	110.8	I23 W61 L62 E70 A74	I23-A44 HydrophobicContact CB-CB 4.36Å; I23-A44 WeakPolarHBondContact CB-O 3.36Å; I23-A44 HydrophobicContact CG1-CB 4.11Å; I23-A44 WeakPolarHBondContact CG1-O 3.27Å; I23-A44 PolarHBondContact N-O 3.1Å; A44-W61 CarbonylContact C-O 3.55Å; A44-W61 VanDerWaalsContact CA-O 3.29Å; A44-W61 WeakPolarHBondContact CA-O 3.37Å; A44-L62 HydrophobicContact CB-CD2 3.97Å; A44-E70 HydrophobicContact CB-CB 4.14Å; A44-A74 HydrophobicContact CB-CB 3.93Å
45	Y	95.2	Very high	88	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.3	-177.6	-65	-103.1	0	0	0	110.5	I20 W21 R22 L31 F39 Y40 D43 F60 W61	I20-Y45 HydrophobicContact CG2-CD1 4.23Å; W21-Y45 CarbonylContact O-C 3.48Å; W21-Y45 VanDerWaalsContact O-CA 3.25Å; W21-Y45 WeakPolarHBondContact O-CA 3.47Å; W21-Y45 WeakPolarHBondContact O-CB 3.39Å; R22-Y45 HydrophobicContact CB-CD1 3.84Å; R22-Y45 HydrophobicContact CB-CE1 3.7Å; R22-Y45 HydrophobicContact CG-CD1 4.12Å; R22-Y45 HydrophobicContact CG-CE1 3.68Å; L31-Y45 HydrophobicContact CD1-CD1 3.82Å; L31-Y45 HydrophobicContact CD1-CE1 3.68Å; L31-Y45 HydrophobicContact CD2-CE1 4.34Å; L31-Y45 HydrophobicContact CG-CE1 4.38Å; F39-Y45 HydrophobicContact CB-CE2 4.08Å; F39-Y45 AromaticContact CD1-CD1 3.93Å; F39-Y45 HydrophobicContact CD1-CD1 3.93Å; F39-Y45 AromaticContact CD1-CD2 3.55Å; F39-Y45 HydrophobicContact CD1-CD2 3.55Å; F39-Y45 HydrophobicContact CD1-CE1 4.13Å; F39-Y45 AromaticContact CD1-CE2 3.77Å; F39-Y45 HydrophobicContact CD1-CE2 3.77Å; F39-Y45 AromaticContact CD1-CG 3.6Å; F39-Y45 HydrophobicContact CD1-CG 3.6Å; F39-Y45 HydrophobicContact CE1-CD1 4.11Å; F39-Y45 HydrophobicContact CE1-CD2 4.28Å; F39-Y45 AromaticContact CE1-CG 3.89Å; F39-Y45 HydrophobicContact CE1-CG 3.89Å; F39-Y45 HydrophobicContact CG-CE2 4.43Å; Y40-Y45 WeakPolarHBondContact CD2-OH 3.39Å; Y40-Y45 PolarHBondContact N-OH 2.73Å; D43-Y45 HydrophobicContact CB-CD2 4.42Å; D43-Y45 HydrophobicContact CB-CE2 3.77Å; Y45-F60 CarbonylContact O-C 3.51Å; Y45-F60 WeakPolarHBondContact O-CA 3.33Å; Y45-W61 AromaticContact CD2-CE3 3.68Å; Y45-W61 HydrophobicContact CD2-CE3 3.68Å; Y45-W61 HydrophobicContact CD2-CZ3 4.01Å; Y45-W61 HydrophobicContact CE2-CE3 4.2Å; Y45-W61 HydrophobicContact CE2-CZ3 4.06Å; Y45-W61 PolarHBondContact N-O 3.18Å; Y45-W61 PolarHBondContact O-N 3.34Å
46	L	95.1	Very high	88.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.9	170.6	-170.8	68.1	0	0	0	108.4	F9 I20 W21 V28 I58 H59 F60 K77 A78 L81	F9-L46 HydrophobicContact CE1-CD2 3.79Å; F9-L46 HydrophobicContact CZ-CD2 3.56Å; I20-L46 CarbonylContact C-O 3.22Å; I20-L46 WeakPolarHBondContact CA-O 3.33Å; W21-L46 HydrophobicContact CB-CB 4.44Å; W21-L46 HydrophobicContact CE3-CB 4.38Å; W21-L46 HydrophobicContact CE3-CD2 4.43Å; W21-L46 HydrophobicContact CE3-CG 4.39Å; W21-L46 PolarHBondContact N-O 3.42Å; W21-L46 PolarHBondContact O-N 3.16Å; V28-L46 HydrophobicContact CG1-CD2 4.42Å; L46-I58 HydrophobicContact CD1-CG2 3.77Å; L46-H59 CarbonylContact C-O 3.18Å; L46-F60 HydrophobicContact CD1-CB 4.12Å; L46-K77 HydrophobicContact CD2-CB 4.27Å; L46-A78 HydrophobicContact CD1-CB 3.73Å; L46-L81 HydrophobicContact CD2-CB 4.48Å; L46-L81 HydrophobicContact CD2-CD2 3.78Å; L46-L81 HydrophobicContact CG-CD2 4.21Å
47	I	95	Very high	88.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.8	-176.8	-58	82.2	0	0	0	107.6	L18 E19 I20 F39 I58 H59 W61 F103	L18-I47 HydrophobicContact CD1-CG2 3.52Å; L18-I47 HydrophobicContact CG-CG2 4.17Å; E19-I47 CarbonylContact O-C 3.07Å; E19-I47 WeakPolarHBondContact O-CA 3.43Å; I20-I47 HydrophobicContact CD1-CG1 4.42Å; I20-I47 HydrophobicContact CG1-CG1 4.08Å; I20-I47 HydrophobicContact CG1-CG2 4.17Å; I20-I47 HydrophobicContact CG2-CG1 4.04Å; F39-I47 HydrophobicContact CE1-CD1 4.36Å; I47-I58 CarbonylContact O-C 3.49Å; I47-I58 WeakPolarHBondContact O-CA 3.22Å; I47-H59 HydrophobicContact CB-CB 4.16Å; I47-H59 PolarHBondContact N-O 2.85Å; I47-H59 PolarHBondContact O-N 3.25Å; I47-W61 HydrophobicContact CD1-CB 3.89Å; I47-F103 HydrophobicContact CD1-CE2 3.77Å; I47-F103 HydrophobicContact CD1-CZ 4.47Å; I47-F103 HydrophobicContact CG1-CE2 3.92Å
48	L	95	Very high	89.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.1	171.1	178.1	64.7	0	0	0	108.9	A12 L18 E19 W21 H56 I58 L81 F85	A12-L48 HydrophobicContact CB-CD2 4Å; L18-L48 WeakPolarHBondContact CA-O 3.43Å; E19-L48 HydrophobicContact CB-CB 4.41Å; E19-L48 PolarHBondContact N-O 3.47Å; E19-L48 PolarHBondContact O-N 3.47Å; W21-L48 HydrophobicContact CH2-CB 4Å; W21-L48 HydrophobicContact CH2-CD2 4.31Å; W21-L48 HydrophobicContact CZ3-CB 3.67Å; L48-H56 HydrophobicContact CD1-CB 4.13Å; L48-I58 HydrophobicContact CD1-CG1 3.85Å; L48-L81 HydrophobicContact CB-CD2 4.23Å; L48-L81 HydrophobicContact CD1-CD2 4.48Å; L48-L81 HydrophobicContact CD2-CD1 4.43Å; L48-L81 HydrophobicContact CD2-CD2 4.48Å; L48-F85 HydrophobicContact CD1-CE2 4.2Å; L48-F85 HydrophobicContact CD2-CE2 4.07Å; L48-F85 HydrophobicContact CD2-CZ 3.92Å
49	H	92	Very high	89.6	Confident	41 Å²	41	34 Å²	34	19%	0.19	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.7	167.9	171	-80.4	0	0	0	109.9	G17 L18 H56 Y57 Y106	G17-H49 WeakPolarHBondContact O-CA 3.33Å; L18-H49 HydrophobicContact CD1-CB 3.94Å; H49-H56 WeakPolarHBondContact O-CA 3.27Å; H49-Y57 PolarHBondContact N-O 2.69Å; H49-Y57 AromaticContact ND1-CD2 3.87Å; H49-Y57 PolarHBondContact O-N 2.86Å; H49-Y106 HydrophobicContact CB-CD1 4.43Å; H49-Y106 HydrophobicContact CB-CE1 3.79Å; H49-Y106 HydrophobicContact CB-CE2 3.94Å; H49-Y106 VanDerWaalsContact CB-CZ 3.49Å; H49-Y106 WeakPolarHBondContact CB-OH 3.36Å; H49-Y106 AromaticContact CD2-CD1 3.52Å; H49-Y106 AromaticContact CD2-CE1 3.19Å; H49-Y106 WeakPolarHBondContact CD2-CE1 3.19Å; H49-Y106 AromaticContact CD2-CZ 3.88Å; H49-Y106 AromaticContact CG-CE1 3.37Å; H49-Y106 AromaticContact CG-CZ 3.57Å; H49-Y106 AromaticContact ND1-CE1 3.99Å; H49-Y106 AromaticContact NE2-CE1 3.74Å
50	T	89.7	Confident	89.8	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.4	172.8	-61.8	0	0	0	0	109.3	G13 P16 G17 F54 H56	G13-T50 VanDerWaalsContact CA-OG1 3.32Å; G13-T50 WeakPolarHBondContact CA-OG1 3.39Å; P16-T50 WeakPolarHBondContact CA-O 3.29Å; G17-T50 PolarHBondContact N-O 2.97Å; G17-T50 PolarHBondContact O-N 3.47Å; T50-F54 HydrophobicContact CG2-CD1 3.89Å; T50-F54 HydrophobicContact CG2-CE1 4.46Å; T50-F54 HydrophobicContact CG2-CG 4.47Å; T50-H56 PolarHBondContact OG1-CE1 3.35Å; T50-H56 PolarHBondContact OG1-ND1 3.4Å
51	S	81.6	Confident	90	Very high	17 Å²	17	31.9 Å²	31.9	12%	0.119	15%	0.145	C	C	.	.			trans	-73.5	168.9	177	83.6	0	0	0	0	112.4	Q53 F54 R55	S51-Q53 PolarHBondContact O-N 2.84Å; S51-Q53 PolarHBondContact OG-N 2.93Å; S51-Q53 PolarHBondContact OG-OE1 3.41Å; S51-Q53 VanDerWaalsContact OG-OE1 3.12Å; S51-F54 WeakPolarHBondContact O-CA 3.44Å; S51-F54 PolarHBondContact O-N 2.86Å; S51-R55 PolarHBondContact N-O 3.16Å; S51-R55 PolarHBondContact OG-N 2.78Å; S51-R55 VanDerWaalsContact OG-N 3.08Å
52	E	82.3	Confident	90.1	Very high	149 Å²	149	31.8 Å²	31.8	70%	0.696	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.2	172.8	-64.1	-62.6	156.8	0	0	112.9	F54	E52-F54 VanDerWaalsContact C-N 3.26Å
53	Q	82.9	Confident	90.1	Very high	141 Å²	141	31.5 Å²	31.5	66%	0.659	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	12.9	173.7	-52.7	81.8	6.8	0	0	113	S51 R55	S51-Q53 PolarHBondContact O-N 2.84Å; S51-Q53 PolarHBondContact OG-N 2.93Å; S51-Q53 PolarHBondContact OG-OE1 3.41Å; S51-Q53 VanDerWaalsContact OG-OE1 3.12Å; Q53-R55 PolarHBondContact O-N 2.95Å
54	F	84.2	Confident	89.8	Confident	104 Å²	104	35.1 Å²	35.1	46%	0.456	17%	0.167	S	C	.	.			trans	57.6	33.8	-177.9	-66.5	-93.7	0	0	0	114.2	P16 T50 S51 E52 H56	P16-F54 HydrophobicContact CG-CE2 4.42Å; P16-F54 HydrophobicContact CG-CZ 4.16Å; T50-F54 HydrophobicContact CG2-CD1 3.89Å; T50-F54 HydrophobicContact CG2-CE1 4.46Å; T50-F54 HydrophobicContact CG2-CG 4.47Å; S51-F54 WeakPolarHBondContact O-CA 3.44Å; S51-F54 PolarHBondContact O-N 2.86Å; E52-F54 VanDerWaalsContact C-N 3.26Å; F54-H56 PolarHBondContact O-CD2 3.25Å; F54-H56 PolarHBondContact O-NE2 2.76Å
55	R	83.2	Confident	89.5	Confident	147 Å²	147	40.3 Å²	40.3	56%	0.555	19%	0.19	S	C	*	.			trans	-84	129.9	165.4	-66.1	-176.4	179.7	163.4	1	109.3	S51 Q53 Y57	S51-R55 PolarHBondContact N-O 3.16Å; S51-R55 PolarHBondContact OG-N 2.78Å; S51-R55 VanDerWaalsContact OG-N 3.08Å; Q53-R55 PolarHBondContact O-N 2.95Å; R55-Y57 HydrophobicContact CB-CE2 3.99Å
56	H	87.2	Confident	89.2	Confident	19 Å²	19	41.6 Å²	41.6	9%	0.088	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.4	-176.4	-58.6	-67.6	0	0	0	111.3	G13 L48 H49 T50 F54 F85 P89	G13-H56 PolarHBondContact O-CE1 3.05Å; L48-H56 HydrophobicContact CD1-CB 4.13Å; H49-H56 WeakPolarHBondContact O-CA 3.27Å; T50-H56 PolarHBondContact OG1-CE1 3.35Å; T50-H56 PolarHBondContact OG1-ND1 3.4Å; F54-H56 PolarHBondContact O-CD2 3.25Å; F54-H56 PolarHBondContact O-NE2 2.76Å; H56-F85 AromaticContact CD2-CD1 3.5Å; H56-F85 AromaticContact CD2-CE1 3.88Å; H56-F85 AromaticContact CD2-CG 3.92Å; H56-F85 AromaticContact CE1-CE1 3.62Å; H56-F85 AromaticContact ND1-CE1 3.97Å; H56-F85 AromaticContact NE2-CD1 3.51Å; H56-F85 AromaticContact NE2-CE1 3.56Å; H56-P89 HydrophobicContact CB-CB 3.98Å; H56-P89 HydrophobicContact CB-CG 3.83Å; H56-P89 WeakPolarHBondContact O-CA 3.33Å
57	Y	87.6	Confident	88.8	Confident	27 Å²	27	43.4 Å²	43.4	11%	0.106	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.1	173.1	-62.8	-95.3	0	0	0	108.1	H49 R55 V90 R102	H49-Y57 PolarHBondContact N-O 2.69Å; H49-Y57 AromaticContact ND1-CD2 3.87Å; H49-Y57 PolarHBondContact O-N 2.86Å; R55-Y57 HydrophobicContact CB-CE2 3.99Å; Y57-V90 HydrophobicContact CD1-CB 4.12Å; Y57-V90 HydrophobicContact CE1-CB 4.4Å; Y57-V90 HydrophobicContact CE1-CG2 4.46Å; Y57-R102 PolarHBondContact OH-NH1 3.03Å
58	I	93.3	Very high	88.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.8	-179.9	-61.9	171.2	0	0	0	107.6	L46 I47 L48 A78 L81 D82 P89 V90 Q91 V92	L46-I58 HydrophobicContact CD1-CG2 3.77Å; I47-I58 CarbonylContact O-C 3.49Å; I47-I58 WeakPolarHBondContact O-CA 3.22Å; L48-I58 HydrophobicContact CD1-CG1 3.85Å; I58-A78 HydrophobicContact CG2-CB 3.98Å; I58-L81 HydrophobicContact CD1-CB 4.13Å; I58-L81 HydrophobicContact CD1-CD2 4.07Å; I58-L81 HydrophobicContact CD1-CG 3.83Å; I58-L81 HydrophobicContact CG1-CD2 4.07Å; I58-L81 HydrophobicContact CG1-CG 4.34Å; I58-L81 HydrophobicContact CG2-CD2 4.29Å; I58-D82 HydrophobicContact CD1-CB 4.03Å; I58-P89 HydrophobicContact CD1-CB 3.7Å; I58-P89 HydrophobicContact CD1-CG 3.87Å; I58-P89 HydrophobicContact CG1-CB 3.9Å; I58-P89 HydrophobicContact CG1-CG 4.43Å; I58-V90 PolarHBondContact N-O 3.4Å; I58-Q91 HydrophobicContact CB-CG 4.26Å; I58-Q91 CarbonylContact O-C 3.47Å; I58-Q91 WeakPolarHBondContact O-CA 2.93Å; I58-V92 PolarHBondContact O-N 3.1Å
59	H	92.7	Very high	87.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138	172.9	-55.1	-110.6	0	0	0	107.9	L46 I47 V92 E94 F103 Y106	L46-H59 CarbonylContact C-O 3.18Å; I47-H59 HydrophobicContact CB-CB 4.16Å; I47-H59 PolarHBondContact N-O 2.85Å; I47-H59 PolarHBondContact O-N 3.25Å; H59-V92 VanDerWaalsContact CA-O 3.31Å; H59-V92 WeakPolarHBondContact CA-O 3.4Å; H59-E94 HydrophobicContact CB-CG 3.87Å; H59-E94 IonicContact CE1-OE1 3.49Å; H59-E94 PolarHBondContact CE1-OE1 2.63Å; H59-E94 IonicContact CG-OE1 2.84Å; H59-E94 IonicContact ND1-OE1 3.26Å; H59-E94 PolarHBondContact ND1-OE1 2.88Å; H59-F103 HydrophobicContact CB-CD2 3.96Å; H59-F103 HydrophobicContact CB-CE2 4.41Å; H59-Y106 AromaticContact CD2-CE2 3.72Å; H59-Y106 AromaticContact CE1-CE2 3.93Å; H59-Y106 AromaticContact NE2-CE2 3.38Å; H59-Y106 WeakPolarHBondContact NE2-CE2 3.11Å; H59-Y106 AromaticContact NE2-CZ 3.74Å; H59-Y106 PolarHBondContact NE2-OH 3.49Å
60	F	92.8	Very high	87.6	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.2	163.1	59.9	-80	0	0	0	108.8	Y45 L46 L62 A74 A78 V92 R93 E94 W326	Y45-F60 CarbonylContact O-C 3.51Å; Y45-F60 WeakPolarHBondContact O-CA 3.33Å; L46-F60 HydrophobicContact CD1-CB 4.12Å; F60-L62 HydrophobicContact CD2-CD1 4.42Å; F60-L62 HydrophobicContact CD2-CD2 4.04Å; F60-L62 HydrophobicContact CD2-CG 4.2Å; F60-L62 HydrophobicContact CE2-CD1 4.25Å; F60-A74 HydrophobicContact CB-CB 4.14Å; F60-A74 HydrophobicContact CD2-CB 4.35Å; F60-A78 HydrophobicContact CD1-CB 4.01Å; F60-V92 PolarHBondContact N-O 3.26Å; F60-R93 HydrophobicContact CD2-CG 4.46Å; F60-R93 HydrophobicContact CE1-CB 4.04Å; F60-R93 HydrophobicContact CE2-CB 3.77Å; F60-R93 HydrophobicContact CE2-CG 3.63Å; F60-R93 HydrophobicContact CZ-CB 3.43Å; F60-R93 VanDerWaalsContact CZ-CB 3.43Å; F60-R93 HydrophobicContact CZ-CG 3.83Å; F60-E94 PolarHBondContact O-N 2.76Å; F60-W326 HydrophobicContact CD1-CZ2 4.48Å; F60-W326 HydrophobicContact CE1-CD2 4.25Å; F60-W326 AromaticContact CE1-CE2 3.7Å; F60-W326 HydrophobicContact CE1-CE3 4.34Å; F60-W326 AromaticContact CE1-CH2 3.41Å; F60-W326 HydrophobicContact CE1-CH2 3.41Å; F60-W326 VanDerWaalsContact CE1-CH2 3.41Å; F60-W326 AromaticContact CE1-CZ2 3.29Å; F60-W326 HydrophobicContact CE1-CZ2 3.29Å; F60-W326 AromaticContact CE1-CZ3 3.95Å; F60-W326 HydrophobicContact CE1-CZ3 3.95Å; F60-W326 AromaticContact CZ-CD2 3.75Å; F60-W326 HydrophobicContact CZ-CD2 3.75Å; F60-W326 AromaticContact CZ-CE2 3.7Å; F60-W326 AromaticContact CZ-CE3 3.66Å; F60-W326 HydrophobicContact CZ-CE3 3.66Å; F60-W326 AromaticContact CZ-CH2 3.54Å; F60-W326 HydrophobicContact CZ-CH2 3.54Å; F60-W326 AromaticContact CZ-CZ2 3.63Å; F60-W326 HydrophobicContact CZ-CZ2 3.63Å; F60-W326 AromaticContact CZ-CZ3 3.54Å; F60-W326 HydrophobicContact CZ-CZ3 3.54Å
61	W	93.9	Very high	87.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133	-176.5	-176.4	99.3	0	0	0	109.7	F39 Y40 A44 Y45 I47 G63 E94 Q96 E99 F103 Y134	F39-W61 HydrophobicContact CB-CD2 4.36Å; F39-W61 HydrophobicContact CB-CE3 4.13Å; F39-W61 HydrophobicContact CB-CH2 3.56Å; F39-W61 HydrophobicContact CB-CZ2 3.82Å; F39-W61 HydrophobicContact CB-CZ3 3.74Å; F39-W61 HydrophobicContact CD1-CD2 4.08Å; F39-W61 HydrophobicContact CD1-CE3 4.04Å; F39-W61 HydrophobicContact CD1-CG 4.43Å; F39-W61 HydrophobicContact CD1-CZ3 4.46Å; F39-W61 HydrophobicContact CG-CD2 4.27Å; F39-W61 HydrophobicContact CG-CE3 4.35Å; F39-W61 HydrophobicContact CG-CH2 4.45Å; F39-W61 HydrophobicContact CG-CZ2 4.38Å; F39-W61 HydrophobicContact CG-CZ3 4.44Å; Y40-W61 WeakPolarHBondContact O-CZ3 3.19Å; A44-W61 CarbonylContact C-O 3.55Å; A44-W61 VanDerWaalsContact CA-O 3.29Å; A44-W61 WeakPolarHBondContact CA-O 3.37Å; Y45-W61 AromaticContact CD2-CE3 3.68Å; Y45-W61 HydrophobicContact CD2-CE3 3.68Å; Y45-W61 HydrophobicContact CD2-CZ3 4.01Å; Y45-W61 HydrophobicContact CE2-CE3 4.2Å; Y45-W61 HydrophobicContact CE2-CZ3 4.06Å; Y45-W61 PolarHBondContact N-O 3.18Å; Y45-W61 PolarHBondContact O-N 3.34Å; I47-W61 HydrophobicContact CD1-CB 3.89Å; W61-G63 VanDerWaalsContact CH2-CA 3.45Å; W61-E94 CarbonylContact C-O 3.46Å; W61-E94 WeakPolarHBondContact CA-O 3.44Å; W61-E94 HydrophobicContact CB-CB 4.23Å; W61-E94 HydrophobicContact CG-CB 4.42Å; W61-Q96 HydrophobicContact CH2-CB 3.95Å; W61-Q96 HydrophobicContact CH2-CG 4.17Å; W61-Q96 HydrophobicContact CZ2-CB 3.43Å; W61-Q96 VanDerWaalsContact CZ2-CB 3.43Å; W61-Q96 HydrophobicContact CZ2-CG 3.67Å; W61-E99 PolarHBondContact NE1-OE1 3.37Å; W61-F103 HydrophobicContact CB-CE2 4.25Å; W61-F103 HydrophobicContact CB-CZ 4.15Å; W61-F103 AromaticContact CD1-CE1 3.74Å; W61-F103 AromaticContact CD1-CZ 3.49Å; W61-F103 VanDerWaalsContact CD1-CZ 3.49Å; W61-F103 HydrophobicContact CG-CZ 4.03Å; W61-Y134 HydrophobicContact CH2-CD1 4.31Å; W61-Y134 AromaticContact CZ2-CD1 3.72Å; W61-Y134 HydrophobicContact CZ2-CD1 3.72Å; W61-Y134 AromaticContact CZ2-CE1 3.65Å; W61-Y134 HydrophobicContact CZ2-CE1 3.65Å
62	L	92.2	Very high	87.6	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.4	-175.3	-57.7	177.1	0	0	0	109.9	A44 F60 L71 R93 E94 Q96	A44-L62 HydrophobicContact CB-CD2 3.97Å; F60-L62 HydrophobicContact CD2-CD1 4.42Å; F60-L62 HydrophobicContact CD2-CD2 4.04Å; F60-L62 HydrophobicContact CD2-CG 4.2Å; F60-L62 HydrophobicContact CE2-CD1 4.25Å; L62-L71 HydrophobicContact CD1-CD1 3.81Å; L62-L71 HydrophobicContact CD1-CG 3.94Å; L62-L71 HydrophobicContact CD2-CB 4.22Å; L62-L71 HydrophobicContact CD2-CG 3.99Å; L62-R93 HydrophobicContact CD1-CG 3.9Å; L62-E94 PolarHBondContact N-O 2.84Å; L62-Q96 PolarHBondContact O-N 3.44Å
63	G	88.6	Confident	88	Confident	5 Å²	5	48.1 Å²	48.1	5%	0.052	24%	0.241	C	C	.	.			trans	-66.2	149.2	174.4	0	0	0	0	0	112.3	E41 D43 W61 K65 C66	E41-G63 CarbonylContact O-C 3.59Å; E41-G63 WeakPolarHBondContact O-CA 3.41Å; D43-G63 WeakPolarHBondContact O-CA 3.33Å; D43-G63 PolarHBondContact O-N 2.99Å; W61-G63 VanDerWaalsContact CH2-CA 3.45Å; G63-K65 PolarHBondContact O-N 3.03Å; G63-K65 VanDerWaalsContact O-N 3.14Å; G63-C66 WeakPolarHBondContact O-CB 3.3Å; G63-C66 PolarHBondContact O-N 2.97Å; G63-C66 PolarHBondContact O-SG 3.04Å
64	S	87	Confident	88.3	Confident	77 Å²	77	41.4 Å²	41.4	54%	0.538	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.5	-178.9	57.2	0	0	0	0	114.1	E41 Q96	E41-S64 PolarHBondContact O-N 2.87Å; S64-Q96 VanDerWaalsContact CB-OE1 3.3Å; S64-Q96 PolarHBondContact OG-OE1 3.05Å
65	K	88.4	Confident	88.5	Confident	109 Å²	109	36.9 Å²	36.9	47%	0.474	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	9.4	178.7	-61.6	167.2	-178.3	155.5	0	111.9	E41 G63 E136	E41-K65 HydrophobicContact CB-CD 4.21Å; E41-K65 CarbonylContact O-C 3.43Å; E41-K65 WeakPolarHBondContact O-CA 3.16Å; E41-K65 WeakPolarHBondContact O-CB 3.31Å; E41-K65 PolarHBondContact O-N 3.43Å; E41-K65 WeakPolarHBondContact OE2-CE 3.42Å; E41-K65 IonicContact OE2-NZ 2.85Å; E41-K65 PolarHBondContact OE2-NZ 3.34Å; G63-K65 PolarHBondContact O-N 3.03Å; G63-K65 VanDerWaalsContact O-N 3.14Å; K65-E136 IonicContact NZ-OE1 3.65Å
66	C	88	Confident	88.7	Confident	28 Å²	28	34.4 Å²	34.4	19%	0.189	19%	0.189	C	C	.	.			trans	-65.1	148.3	-179.7	81.1	0	0	0	0	111.4	E41 G42 D43 G63	E41-C66 PolarHBondContact O-N 3.34Å; G42-C66 WeakPolarHBondContact O-CA 3.43Å; D43-C66 WeakPolarHBondContact O-CB 3.32Å; G63-C66 WeakPolarHBondContact O-CB 3.3Å; G63-C66 PolarHBondContact O-N 2.97Å; G63-C66 PolarHBondContact O-SG 3.04Å
67	T	86.9	Confident	88.9	Confident	39 Å²	39	34.7 Å²	34.7	24%	0.239	19%	0.19	C	C	.	.			trans	-89.3	161.5	-177.1	59	0	0	0	0	113.4	D69 E70 L71 K140	T67-D69 VanDerWaalsContact C-N 3.28Å; T67-D69 WeakPolarHBondContact CB-OD1 3.26Å; T67-D69 PolarHBondContact O-N 3.33Å; T67-D69 PolarHBondContact OG1-OD1 3.02Å; T67-E70 PolarHBondContact N-OE2 3.45Å; T67-E70 PolarHBondContact O-N 3.17Å; T67-E70 WeakPolarHBondContact OG1-CG 3.24Å; T67-E70 PolarHBondContact OG1-OE2 3.1Å; T67-L71 PolarHBondContact O-N 2.79Å; T67-K140 HydrophobicContact CG2-CD 3.5Å; T67-K140 VanDerWaalsContact CG2-CD 3.5Å; T67-K140 VanDerWaalsContact CG2-NZ 3.29Å; T67-K140 WeakPolarHBondContact OG1-CE 3.5Å; T67-K140 PolarHBondContact OG1-NZ 3.11Å
68	Q	83.7	Confident	89	Confident	153 Å²	153	33.4 Å²	33.4	72%	0.715	18%	0.184	S	C	*	.	H	α-helix	trans	-63.4	-34.2	-175.1	-177.3	174.4	-26.3	0	0	112.7	G72	Q68-G72 PolarHBondContact O-N 3.38Å
69	D	86.7	Confident	88.8	Confident	59 Å²	59	34.3 Å²	34.3	32%	0.316	19%	0.189	S	C	.	.	H	α-helix	trans	-66.7	-41.5	174.5	47.6	-54	0	0	0	112.4	F26 T67 G72 T73 K140	F26-D69 HydrophobicContact CE1-CB 3.89Å; F26-D69 HydrophobicContact CZ-CB 3.83Å; T67-D69 VanDerWaalsContact C-N 3.28Å; T67-D69 WeakPolarHBondContact CB-OD1 3.26Å; T67-D69 PolarHBondContact O-N 3.33Å; T67-D69 PolarHBondContact OG1-OD1 3.02Å; D69-G72 PolarHBondContact O-N 2.87Å; D69-T73 WeakPolarHBondContact O-CB 3.47Å; D69-T73 PolarHBondContact O-N 2.75Å; D69-T73 PolarHBondContact O-OG1 2.89Å; D69-K140 IonicContact OD1-NZ 3.83Å; D69-K140 PolarHBondContact OD1-NZ 3.39Å; D69-K140 WeakPolarHBondContact OD2-CE 3.32Å; D69-K140 IonicContact OD2-NZ 3.72Å; D69-K140 PolarHBondContact OD2-NZ 3.44Å
70	E	87	Confident	88.6	Confident	7 Å²	7	36.3 Å²	36.3	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-42.8	175.3	-73.4	155.7	172.2	0	0	111.4	I23 A44 T67 T73 A74	I23-E70 HydrophobicContact CG2-CG 4.41Å; A44-E70 HydrophobicContact CB-CB 4.14Å; T67-E70 PolarHBondContact N-OE2 3.45Å; T67-E70 PolarHBondContact O-N 3.17Å; T67-E70 WeakPolarHBondContact OG1-CG 3.24Å; T67-E70 PolarHBondContact OG1-OE2 3.1Å; E70-T73 PolarHBondContact O-N 3.35Å; E70-A74 WeakPolarHBondContact O-CB 3.25Å; E70-A74 PolarHBondContact O-N 3.45Å
71	L	85	Confident	88.4	Confident	50 Å²	50	36.2 Å²	36.2	26%	0.262	20%	0.198	S	C	.	.	H	α-helix	trans	-59.4	-48.5	174.3	-175.6	159.2	0	0	0	111.3	L62 T67 T73 A74 A75	L62-L71 HydrophobicContact CD1-CD1 3.81Å; L62-L71 HydrophobicContact CD1-CG 3.94Å; L62-L71 HydrophobicContact CD2-CB 4.22Å; L62-L71 HydrophobicContact CD2-CG 3.99Å; T67-L71 PolarHBondContact O-N 2.79Å; L71-T73 VanDerWaalsContact C-N 3.32Å; L71-T73 PolarHBondContact O-N 2.86Å; L71-A74 PolarHBondContact O-N 3.46Å; L71-A75 PolarHBondContact O-N 2.91Å; L71-A75 VanDerWaalsContact O-N 3.08Å
72	G	85.9	Confident	88.1	Confident	28 Å²	28	36.3 Å²	36.3	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-61.1	-41.9	177.8	0	0	0	0	0	112.1	Q68 D69 A75 I76	Q68-G72 PolarHBondContact O-N 3.38Å; D69-G72 PolarHBondContact O-N 2.87Å; G72-A75 PolarHBondContact O-N 3.24Å; G72-I76 VanDerWaalsContact O-CG1 3.28Å; G72-I76 WeakPolarHBondContact O-CG1 3.36Å; G72-I76 PolarHBondContact O-N 3.04Å
73	T	90.5	Very high	87.8	Confident	11 Å²	11	39.9 Å²	39.9	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-47.7	176.8	-54.8	0	0	0	0	111.3	I23 F26 D69 E70 L71 A75 I76 K77	I23-T73 HydrophobicContact CD1-CG2 4.35Å; I23-T73 HydrophobicContact CG2-CG2 3.71Å; F26-T73 HydrophobicContact CB-CG2 4.47Å; F26-T73 WeakPolarHBondContact CD1-OG1 3.17Å; D69-T73 WeakPolarHBondContact O-CB 3.47Å; D69-T73 PolarHBondContact O-N 2.75Å; D69-T73 PolarHBondContact O-OG1 2.89Å; E70-T73 PolarHBondContact O-N 3.35Å; L71-T73 VanDerWaalsContact C-N 3.32Å; L71-T73 PolarHBondContact O-N 2.86Å; T73-A75 VanDerWaalsContact C-N 3.29Å; T73-A75 PolarHBondContact O-N 2.86Å; T73-I76 PolarHBondContact O-N 3.21Å; T73-K77 HydrophobicContact CG2-CG 4.02Å; T73-K77 WeakPolarHBondContact O-CB 3.41Å; T73-K77 VanDerWaalsContact O-CG 3.25Å; T73-K77 WeakPolarHBondContact O-CG 3.31Å; T73-K77 PolarHBondContact O-N 2.99Å
74	A	90.6	Very high	87.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-42.7	-179.8	0	0	0	0	0	111.5	I23 A44 F60 E70 L71 K77 A78	I23-A74 HydrophobicContact CD1-CB 4.49Å; I23-A74 HydrophobicContact CG1-CB 4.01Å; A44-A74 HydrophobicContact CB-CB 3.93Å; F60-A74 HydrophobicContact CB-CB 4.14Å; F60-A74 HydrophobicContact CD2-CB 4.35Å; E70-A74 WeakPolarHBondContact O-CB 3.25Å; E70-A74 PolarHBondContact O-N 3.45Å; L71-A74 PolarHBondContact O-N 3.46Å; A74-K77 PolarHBondContact O-N 2.79Å; A74-A78 WeakPolarHBondContact O-CB 3.35Å; A74-A78 PolarHBondContact O-N 2.79Å
75	A	86.9	Confident	87.6	Confident	9 Å²	9	40.6 Å²	40.6	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-44.5	176.2	0	0	0	0	0	112.6	L71 G72 T73 A78 L79 W326	L71-A75 PolarHBondContact O-N 2.91Å; L71-A75 VanDerWaalsContact O-N 3.08Å; G72-A75 PolarHBondContact O-N 3.24Å; T73-A75 VanDerWaalsContact C-N 3.29Å; T73-A75 PolarHBondContact O-N 2.86Å; A75-A78 PolarHBondContact O-N 3.48Å; A75-L79 WeakPolarHBondContact O-CG 3.43Å; A75-L79 PolarHBondContact O-N 2.94Å; A75-W326 HydrophobicContact CB-CB 4.28Å; A75-W326 HydrophobicContact CB-CG 3.98Å
76	I	88	Confident	87.2	Confident	96 Å²	96	39 Å²	39	49%	0.492	23%	0.227	S	C	.	.	H	α-helix	trans	-64.5	-44.1	177	-69	166.3	0	0	0	110.7	G72 T73 A78 L79 E80	G72-I76 VanDerWaalsContact O-CG1 3.28Å; G72-I76 WeakPolarHBondContact O-CG1 3.36Å; G72-I76 PolarHBondContact O-N 3.04Å; T73-I76 PolarHBondContact O-N 3.21Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 2.78Å; I76-L79 WeakPolarHBondContact O-CB 3.3Å; I76-L79 PolarHBondContact O-N 3.39Å; I76-L79 VanDerWaalsContact O-N 3.11Å; I76-E80 PolarHBondContact O-N 2.83Å
77	K	91.6	Very high	86.6	Confident	24 Å²	24	38.3 Å²	38.3	10%	0.104	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-33.3	179.6	-68.4	-73.7	164.6	-169.3	0	112.5	D6 F9 V28 L46 T73 A74 L79 E80 L81	D6-K77 IonicContact OD2-NZ 3.09Å; D6-K77 PolarHBondContact OD2-NZ 2.79Å; F9-K77 HydrophobicContact CE2-CD 4.36Å; F9-K77 HydrophobicContact CZ-CB 4.34Å; F9-K77 HydrophobicContact CZ-CD 4.41Å; V28-K77 HydrophobicContact CG1-CB 3.97Å; V28-K77 HydrophobicContact CG1-CD 3.95Å; V28-K77 HydrophobicContact CG1-CG 3.83Å; V28-K77 HydrophobicContact CG2-CD 4.29Å; L46-K77 HydrophobicContact CD2-CB 4.27Å; T73-K77 HydrophobicContact CG2-CG 4.02Å; T73-K77 WeakPolarHBondContact O-CB 3.41Å; T73-K77 VanDerWaalsContact O-CG 3.25Å; T73-K77 WeakPolarHBondContact O-CG 3.31Å; T73-K77 PolarHBondContact O-N 2.99Å; A74-K77 PolarHBondContact O-N 2.79Å; K77-L79 VanDerWaalsContact C-N 3.32Å; K77-E80 WeakPolarHBondContact CD-OE2 3.4Å; K77-E80 WeakPolarHBondContact CE-OE2 3.38Å; K77-E80 IonicContact NZ-OE1 3.05Å; K77-E80 IonicContact NZ-OE2 2.67Å; K77-E80 PolarHBondContact NZ-OE2 3.07Å; K77-E80 PolarHBondContact O-N 2.84Å; K77-L81 WeakPolarHBondContact O-CB 3.42Å; K77-L81 PolarHBondContact O-N 2.78Å
78	A	90.5	Very high	86.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-36.5	170.7	0	0	0	0	0	112.3	L46 I58 F60 A74 A75 I76 D82	L46-A78 HydrophobicContact CD1-CB 3.73Å; I58-A78 HydrophobicContact CG2-CB 3.98Å; F60-A78 HydrophobicContact CD1-CB 4.01Å; A74-A78 WeakPolarHBondContact O-CB 3.35Å; A74-A78 PolarHBondContact O-N 2.79Å; A75-A78 PolarHBondContact O-N 3.48Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 2.78Å; A78-D82 VanDerWaalsContact O-CB 3.29Å; A78-D82 WeakPolarHBondContact O-CB 3.35Å; A78-D82 PolarHBondContact O-N 2.97Å
79	L	87.2	Confident	86.3	Confident	19 Å²	19	34.3 Å²	34.3	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-67.8	-45	172.6	-65.8	174.2	0	0	0	111.8	A75 I76 K77 L81 D82 D83 R323	A75-L79 WeakPolarHBondContact O-CG 3.43Å; A75-L79 PolarHBondContact O-N 2.94Å; I76-L79 WeakPolarHBondContact O-CB 3.3Å; I76-L79 PolarHBondContact O-N 3.39Å; I76-L79 VanDerWaalsContact O-N 3.11Å; K77-L79 VanDerWaalsContact C-N 3.32Å; L79-L81 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 2.78Å; L79-D82 WeakPolarHBondContact O-CB 3.46Å; L79-D82 PolarHBondContact O-N 3.48Å; L79-D83 PolarHBondContact O-N 3.3Å; L79-R323 HydrophobicContact CD1-CG 4.49Å
80	E	88.8	Confident	86	Confident	43 Å²	43	32 Å²	32	20%	0.201	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-42.1	176.1	-71.3	174.4	-163.1	0	0	111.6	F9 I76 K77	F9-E80 HydrophobicContact CE2-CB 4.3Å; I76-E80 PolarHBondContact O-N 2.83Å; K77-E80 WeakPolarHBondContact CD-OE2 3.4Å; K77-E80 WeakPolarHBondContact CE-OE2 3.38Å; K77-E80 IonicContact NZ-OE1 3.05Å; K77-E80 IonicContact NZ-OE2 2.67Å; K77-E80 PolarHBondContact NZ-OE2 3.07Å; K77-E80 PolarHBondContact O-N 2.84Å
81	L	89.7	Confident	86	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-39.1	177.2	-175.8	60	0	0	0	112.3	F9 A12 W21 L46 L48 I58 K77 L79 L84 F85	F9-L81 HydrophobicContact CB-CD1 4.3Å; F9-L81 HydrophobicContact CD1-CD1 4.02Å; F9-L81 HydrophobicContact CD2-CB 4.41Å; F9-L81 HydrophobicContact CD2-CD1 4.29Å; F9-L81 HydrophobicContact CE1-CD1 4.39Å; F9-L81 HydrophobicContact CE2-CB 4.1Å; F9-L81 HydrophobicContact CG-CD1 3.98Å; F9-L81 HydrophobicContact CZ-CB 4.24Å; A12-L81 HydrophobicContact CB-CD1 3.99Å; W21-L81 HydrophobicContact CZ3-CD2 4.43Å; L46-L81 HydrophobicContact CD2-CB 4.48Å; L46-L81 HydrophobicContact CD2-CD2 3.78Å; L46-L81 HydrophobicContact CG-CD2 4.21Å; L48-L81 HydrophobicContact CB-CD2 4.23Å; L48-L81 HydrophobicContact CD1-CD2 4.48Å; L48-L81 HydrophobicContact CD2-CD1 4.43Å; L48-L81 HydrophobicContact CD2-CD2 4.48Å; I58-L81 HydrophobicContact CD1-CB 4.13Å; I58-L81 HydrophobicContact CD1-CD2 4.07Å; I58-L81 HydrophobicContact CD1-CG 3.83Å; I58-L81 HydrophobicContact CG1-CD2 4.07Å; I58-L81 HydrophobicContact CG1-CG 4.34Å; I58-L81 HydrophobicContact CG2-CD2 4.29Å; K77-L81 WeakPolarHBondContact O-CB 3.42Å; K77-L81 PolarHBondContact O-N 2.78Å; L79-L81 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 2.78Å; L81-L84 HydrophobicContact CD1-CD1 4.05Å; L81-L84 WeakPolarHBondContact O-CB 3.32Å; L81-L84 PolarHBondContact O-N 2.94Å; L81-F85 HydrophobicContact CD1-CE2 3.78Å; L81-F85 HydrophobicContact CG-CE2 4.11Å; L81-F85 WeakPolarHBondContact O-CD2 3.25Å
82	D	87.6	Confident	86	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-40.9	175.5	-174.5	78	0	0	0	112.9	I58 A78 L79 L84 F85 G86 G87 Q91 R346	I58-D82 HydrophobicContact CD1-CB 4.03Å; A78-D82 VanDerWaalsContact O-CB 3.29Å; A78-D82 WeakPolarHBondContact O-CB 3.35Å; A78-D82 PolarHBondContact O-N 2.97Å; L79-D82 WeakPolarHBondContact O-CB 3.46Å; L79-D82 PolarHBondContact O-N 3.48Å; D82-L84 PolarHBondContact O-N 2.74Å; D82-F85 CarbonylContact O-C 3.5Å; D82-F85 PolarHBondContact O-N 2.79Å; D82-F85 VanDerWaalsContact O-N 3.08Å; D82-G86 PolarHBondContact O-N 3.14Å; D82-G87 PolarHBondContact O-N 3.16Å; D82-Q91 PolarHBondContact OD1-NE2 3.38Å; D82-Q91 PolarHBondContact OD2-NE2 3.38Å; D82-R346 IonicContact OD2-CZ 3.47Å; D82-R346 IonicContact OD2-NH1 3.95Å; D82-R346 PolarHBondContact OD2-NH1 3.23Å; D82-R346 IonicContact OD2-NH2 3.97Å; D82-R346 PolarHBondContact OD2-NH2 3.2Å
83	D	85.4	Confident	86.2	Confident	80 Å²	80	30 Å²	30	43%	0.428	17%	0.173	S	C	.	.	H	α-helix	trans	-62	-29.5	178	-74.9	-17	0	0	0	111.7	L79 F85 G86	L79-D83 PolarHBondContact O-N 3.3Å; D83-F85 VanDerWaalsContact C-N 3.26Å; D83-F85 PolarHBondContact O-N 2.86Å; D83-G86 PolarHBondContact O-N 2.84Å; D83-G86 VanDerWaalsContact O-N 3.17Å
84	L	86.2	Confident	86.1	Confident	62 Å²	62	29.5 Å²	29.5	33%	0.325	17%	0.169	S	C	.	.	H	α-helix	trans	-64.9	-30.6	175.2	-61.6	175.9	0	0	0	113	C5 F9 L81 D82	C5-L84 HydrophobicContact CB-CD2 3.93Å; C5-L84 VanDerWaalsContact SG-CD1 3.52Å; C5-L84 VanDerWaalsContact SG-CD2 3.52Å; F9-L84 HydrophobicContact CB-CD1 3.51Å; F9-L84 HydrophobicContact CD2-CD1 4.2Å; F9-L84 HydrophobicContact CG-CD1 4.22Å; L81-L84 HydrophobicContact CD1-CD1 4.05Å; L81-L84 WeakPolarHBondContact O-CB 3.32Å; L81-L84 PolarHBondContact O-N 2.94Å; D82-L84 PolarHBondContact O-N 2.74Å
85	F	84.9	Confident	85.8	Confident	34 Å²	34	30.4 Å²	30.4	15%	0.149	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	18.4	177.9	-56	-70.5	0	0	0	111.7	L48 H56 L81 D82 D83 G87 E88 P89	L48-F85 HydrophobicContact CD1-CE2 4.2Å; L48-F85 HydrophobicContact CD2-CE2 4.07Å; L48-F85 HydrophobicContact CD2-CZ 3.92Å; H56-F85 AromaticContact CD2-CD1 3.5Å; H56-F85 AromaticContact CD2-CE1 3.88Å; H56-F85 AromaticContact CD2-CG 3.92Å; H56-F85 AromaticContact CE1-CE1 3.62Å; H56-F85 AromaticContact ND1-CE1 3.97Å; H56-F85 AromaticContact NE2-CD1 3.51Å; H56-F85 AromaticContact NE2-CE1 3.56Å; L81-F85 HydrophobicContact CD1-CE2 3.78Å; L81-F85 HydrophobicContact CG-CE2 4.11Å; L81-F85 WeakPolarHBondContact O-CD2 3.25Å; D82-F85 CarbonylContact O-C 3.5Å; D82-F85 PolarHBondContact O-N 2.79Å; D82-F85 VanDerWaalsContact O-N 3.08Å; D83-F85 VanDerWaalsContact C-N 3.26Å; D83-F85 PolarHBondContact O-N 2.86Å; F85-G87 PolarHBondContact O-N 2.78Å; F85-E88 WeakPolarHBondContact O-CB 3.43Å; F85-E88 PolarHBondContact O-N 3.34Å; F85-E88 VanDerWaalsContact O-N 3.11Å; F85-P89 HydrophobicContact CB-CG 3.55Å; F85-P89 HydrophobicContact CD2-CG 3.7Å; F85-P89 HydrophobicContact CG-CG 3.93Å
86	G	80.7	Confident	85.7	Confident	75 Å²	75	30.9 Å²	30.9	77%	0.773	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	21.6	177.7	0	0	0	0	0	114.5	D82 D83 E88	D82-G86 PolarHBondContact O-N 3.14Å; D83-G86 PolarHBondContact O-N 2.84Å; D83-G86 VanDerWaalsContact O-N 3.17Å; G86-E88 VanDerWaalsContact C-N 3.31Å
87	G	75.7	Confident	84.8	Confident	15 Å²	15	27.1 Å²	27.1	16%	0.155	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	17.4	-175	0	0	0	0	0	114.4	D82 F85 P89 N348	D82-G87 PolarHBondContact O-N 3.16Å; F85-G87 PolarHBondContact O-N 2.78Å; G87-P89 VanDerWaalsContact C-CD 3.45Å; G87-N348 WeakPolarHBondContact O-CB 3.25Å; G87-N348 PolarHBondContact O-ND2 3.38Å
88	E	79	Confident	83.9	Confident	106 Å²	106	30.7 Å²	30.7	50%	0.495	17%	0.174	S	C	.	.			trans	-65.2	-38.7	169.5	-161.6	-164.1	144.3	0	0	114.3	F85 G86 A351	F85-E88 WeakPolarHBondContact O-CB 3.43Å; F85-E88 PolarHBondContact O-N 3.34Å; F85-E88 VanDerWaalsContact O-N 3.11Å; G86-E88 VanDerWaalsContact C-N 3.31Å; E88-A351 VanDerWaalsContact O-CB 3.28Å; E88-A351 WeakPolarHBondContact O-CB 3.37Å
89	P	84	Confident	83.3	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.174	C	C	.	.	S	Bend	trans	-64.8	146.6	-171.9	-19.7	29.6	0	0	0	114.1	H56 I58 F85 G87	H56-P89 HydrophobicContact CB-CB 3.98Å; H56-P89 HydrophobicContact CB-CG 3.83Å; H56-P89 WeakPolarHBondContact O-CA 3.33Å; I58-P89 HydrophobicContact CD1-CB 3.7Å; I58-P89 HydrophobicContact CD1-CG 3.87Å; I58-P89 HydrophobicContact CG1-CB 3.9Å; I58-P89 HydrophobicContact CG1-CG 4.43Å; F85-P89 HydrophobicContact CB-CG 3.55Å; F85-P89 HydrophobicContact CD2-CG 3.7Å; F85-P89 HydrophobicContact CG-CG 3.93Å; G87-P89 VanDerWaalsContact C-CD 3.45Å
90	V	80	Confident	82.4	Confident	12 Å²	12	31 Å²	31	7%	0.073	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.9	164.1	177.7	0	0	0	0	108.2	Y57 I58 V92 I345 A351 P353	Y57-V90 HydrophobicContact CD1-CB 4.12Å; Y57-V90 HydrophobicContact CE1-CB 4.4Å; Y57-V90 HydrophobicContact CE1-CG2 4.46Å; I58-V90 PolarHBondContact N-O 3.4Å; V90-V92 HydrophobicContact CG1-CG2 4.34Å; V90-I345 HydrophobicContact CG1-CG2 3.73Å; V90-A351 WeakPolarHBondContact CG2-O 3.37Å; V90-P353 HydrophobicContact CG1-CG 4.5Å; V90-P353 HydrophobicContact CG2-CG 4.38Å
91	Q	89	Confident	81.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.2	176.3	-45.6	-178.3	13.6	0	0	111.7	I58 D82 W326 I345 R346	I58-Q91 HydrophobicContact CB-CG 4.26Å; I58-Q91 CarbonylContact O-C 3.47Å; I58-Q91 WeakPolarHBondContact O-CA 2.93Å; D82-Q91 PolarHBondContact OD1-NE2 3.38Å; D82-Q91 PolarHBondContact OD2-NE2 3.38Å; Q91-W326 HydrophobicContact CB-CH2 4.49Å; Q91-W326 HydrophobicContact CB-CZ2 4.03Å; Q91-I345 CarbonylContact O-C 3.53Å; Q91-I345 VanDerWaalsContact O-CA 3.32Å; Q91-I345 WeakPolarHBondContact O-CA 3.47Å; Q91-R346 HydrophobicContact CB-CB 4.13Å; Q91-R346 PolarHBondContact N-O 2.62Å; Q91-R346 PolarHBondContact O-N 3.23Å
92	V	85	Confident	80.5	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.7	-179.5	-170.5	0	0	0	0	110.2	I58 H59 F60 V90 E94 I345	I58-V92 PolarHBondContact O-N 3.1Å; H59-V92 VanDerWaalsContact CA-O 3.31Å; H59-V92 WeakPolarHBondContact CA-O 3.4Å; F60-V92 PolarHBondContact N-O 3.26Å; V90-V92 HydrophobicContact CG1-CG2 4.34Å; V92-E94 HydrophobicContact CG1-CG 4.15Å; V92-E94 WeakPolarHBondContact CG1-OE1 3.19Å; V92-E94 PolarHBondContact O-N 2.75Å; V92-I345 HydrophobicContact CG1-CG1 4.07Å; V92-I345 HydrophobicContact CG2-CG1 4.44Å; V92-I345 HydrophobicContact CG2-CG2 4.27Å
93	R	89.7	Confident	80.2	Confident	36 Å²	36	37.8 Å²	37.8	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	110.6	164.8	179	178.1	169.9	-106.4	-4.5	108.3	F60 L62 V95 W326 S340 V342 N343 V344	F60-R93 HydrophobicContact CD2-CG 4.46Å; F60-R93 HydrophobicContact CE1-CB 4.04Å; F60-R93 HydrophobicContact CE2-CB 3.77Å; F60-R93 HydrophobicContact CE2-CG 3.63Å; F60-R93 HydrophobicContact CZ-CB 3.43Å; F60-R93 VanDerWaalsContact CZ-CB 3.43Å; F60-R93 HydrophobicContact CZ-CG 3.83Å; L62-R93 HydrophobicContact CD1-CG 3.9Å; R93-V95 HydrophobicContact CG-CG2 4.45Å; R93-W326 HydrophobicContact CB-CH2 4.27Å; R93-W326 HydrophobicContact CB-CZ3 3.8Å; R93-S340 VanDerWaalsContact CZ-O 3.29Å; R93-S340 PolarHBondContact NH1-O 2.82Å; R93-S340 PolarHBondContact NH2-O 3.1Å; R93-V342 PolarHBondContact NH1-O 3.24Å; R93-V342 VanDerWaalsContact NH1-O 3.08Å; R93-N343 PolarHBondContact O-OD1 3.47Å; R93-V344 HydrophobicContact CB-CB 4.11Å; R93-V344 WeakPolarHBondContact CB-O 3.19Å; R93-V344 PolarHBondContact N-O 3.1Å
94	E	87.7	Confident	79.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.8	176.8	-55.9	-69.7	179.2	0	0	109.1	H59 F60 W61 L62 V92 E99 S100 F103	H59-E94 HydrophobicContact CB-CG 3.87Å; H59-E94 IonicContact CE1-OE1 3.49Å; H59-E94 PolarHBondContact CE1-OE1 2.63Å; H59-E94 IonicContact CG-OE1 2.84Å; H59-E94 IonicContact ND1-OE1 3.26Å; H59-E94 PolarHBondContact ND1-OE1 2.88Å; F60-E94 PolarHBondContact O-N 2.76Å; W61-E94 CarbonylContact C-O 3.46Å; W61-E94 WeakPolarHBondContact CA-O 3.44Å; W61-E94 HydrophobicContact CB-CB 4.23Å; W61-E94 HydrophobicContact CG-CB 4.42Å; L62-E94 PolarHBondContact N-O 2.84Å; V92-E94 HydrophobicContact CG1-CG 4.15Å; V92-E94 WeakPolarHBondContact CG1-OE1 3.19Å; V92-E94 PolarHBondContact O-N 2.75Å; E94-E99 HydrophobicContact CB-CG 4.43Å; E94-E99 VanDerWaalsContact OE2-CA 3.31Å; E94-E99 WeakPolarHBondContact OE2-CA 3.33Å; E94-S100 WeakPolarHBondContact OE1-CB 3.38Å; E94-S100 PolarHBondContact OE1-OG 3.21Å; E94-S100 PolarHBondContact OE2-N 2.93Å; E94-F103 HydrophobicContact CG-CB 4.15Å; E94-F103 HydrophobicContact CG-CD2 3.79Å; E94-F103 HydrophobicContact CG-CE2 4.36Å; E94-F103 HydrophobicContact CG-CG 4Å; E94-F103 WeakPolarHBondContact OE1-CB 3.48Å
95	V	84.5	Confident	79	Confident	18 Å²	18	33.6 Å²	33.6	11%	0.109	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.2	177.8	-176.9	0	0	0	0	109.1	R93 G97 Y98 E99 W341	R93-V95 HydrophobicContact CG-CG2 4.45Å; V95-G97 PolarHBondContact O-N 2.74Å; V95-Y98 CarbonylContact O-C 3.54Å; V95-Y98 PolarHBondContact O-N 3.37Å; V95-E99 PolarHBondContact O-N 2.75Å; V95-W341 HydrophobicContact CB-CB 4.44Å; V95-W341 HydrophobicContact CG1-CB 4.09Å
96	Q	84.7	Confident	78.9	Confident	19 Å²	19	33.8 Å²	33.8	9%	0.089	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	123.4	176.9	178.8	177.8	-11	0	0	111.3	E41 W61 L62 S64 Y98 Y134	E41-Q96 PolarHBondContact OE1-NE2 3.4Å; W61-Q96 HydrophobicContact CH2-CB 3.95Å; W61-Q96 HydrophobicContact CH2-CG 4.17Å; W61-Q96 HydrophobicContact CZ2-CB 3.43Å; W61-Q96 VanDerWaalsContact CZ2-CB 3.43Å; W61-Q96 HydrophobicContact CZ2-CG 3.67Å; L62-Q96 PolarHBondContact O-N 3.44Å; S64-Q96 VanDerWaalsContact CB-OE1 3.3Å; S64-Q96 PolarHBondContact OG-OE1 3.05Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 WeakPolarHBondContact O-CD2 3.08Å; Q96-Y134 HydrophobicContact CG-CD1 3.79Å; Q96-Y134 HydrophobicContact CG-CD2 4.13Å; Q96-Y134 HydrophobicContact CG-CE1 3.7Å; Q96-Y134 HydrophobicContact CG-CE2 4.05Å; Q96-Y134 HydrophobicContact CG-CG 4.01Å; Q96-Y134 VanDerWaalsContact NE2-CG 3.33Å
97	G	69.9	Low	78.6	Confident	18 Å²	18	30.6 Å²	30.6	19%	0.186	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-3.5	177.5	0	0	0	0	0	115	V95 E99 Y134 R164	V95-G97 PolarHBondContact O-N 2.74Å; G97-E99 WeakPolarHBondContact CA-OE2 3.2Å; G97-E99 PolarHBondContact N-OE1 3.24Å; G97-E99 VanDerWaalsContact N-OE1 3.15Å; G97-E99 PolarHBondContact N-OE2 3.12Å; G97-Y134 WeakPolarHBondContact CA-OH 3.29Å; G97-Y134 PolarHBondContact N-OH 2.86Å; G97-Y134 VanDerWaalsContact N-OH 3.12Å; G97-R164 VanDerWaalsContact C-NH2 3.32Å; G97-R164 PolarHBondContact O-NH1 3.44Å; G97-R164 VanDerWaalsContact O-NH1 3.16Å; G97-R164 PolarHBondContact O-NH2 2.93Å
98	Y	72.5	Confident	78.2	Confident	98 Å²	98	33.7 Å²	33.7	38%	0.384	16%	0.163	S	C	.	.			trans	-133	23	-178.7	-63.3	-87.1	0	0	0	112.4	V95 Q96 W341 N343	V95-Y98 CarbonylContact O-C 3.54Å; V95-Y98 PolarHBondContact O-N 3.37Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 WeakPolarHBondContact O-CD2 3.08Å; Y98-W341 HydrophobicContact CD1-CB 4.29Å; Y98-W341 AromaticContact CD1-CD1 3.43Å; Y98-W341 VanDerWaalsContact CD1-CD1 3.43Å; Y98-W341 HydrophobicContact CD1-CG 4.03Å; Y98-W341 HydrophobicContact CD2-CB 3.35Å; Y98-W341 AromaticContact CD2-CG 3.76Å; Y98-W341 HydrophobicContact CD2-CG 3.76Å; Y98-W341 AromaticContact CE1-CD1 3.35Å; Y98-W341 HydrophobicContact CE1-CD2 4.49Å; Y98-W341 AromaticContact CE1-CG 3.92Å; Y98-W341 HydrophobicContact CE1-CG 3.92Å; Y98-W341 AromaticContact CE1-NE1 3.59Å; Y98-W341 HydrophobicContact CE2-CB 3.64Å; Y98-W341 AromaticContact CE2-CD1 3.93Å; Y98-W341 HydrophobicContact CE2-CD2 4.11Å; Y98-W341 AromaticContact CE2-CG 3.63Å; Y98-W341 HydrophobicContact CE2-CG 3.63Å; Y98-W341 HydrophobicContact CG-CB 3.69Å; Y98-W341 AromaticContact CG-CD1 3.75Å; Y98-W341 AromaticContact CG-CG 3.94Å; Y98-W341 HydrophobicContact CG-CG 3.94Å; Y98-W341 AromaticContact CZ-CD1 3.6Å; Y98-W341 AromaticContact CZ-CG 3.7Å; Y98-W341 AromaticContact CZ-NE1 3.8Å; Y98-N343 PolarHBondContact O-ND2 3.15Å; Y98-N343 PolarHBondContact O-OD1 2.76Å
99	E	76.5	Confident	77.1	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.15	C	C	.	.			trans	-63.6	147	-175.6	-53.8	89.5	161.6	0	0	112.8	W61 E94 V95 G97 F103 L104 Y134 R162 R164	W61-E99 PolarHBondContact NE1-OE1 3.37Å; E94-E99 HydrophobicContact CB-CG 4.43Å; E94-E99 VanDerWaalsContact OE2-CA 3.31Å; E94-E99 WeakPolarHBondContact OE2-CA 3.33Å; V95-E99 PolarHBondContact O-N 2.75Å; G97-E99 WeakPolarHBondContact CA-OE2 3.2Å; G97-E99 PolarHBondContact N-OE1 3.24Å; G97-E99 VanDerWaalsContact N-OE1 3.15Å; G97-E99 PolarHBondContact N-OE2 3.12Å; E99-F103 HydrophobicContact CB-CB 4.39Å; E99-F103 HydrophobicContact CB-CD1 3.53Å; E99-F103 HydrophobicContact CB-CE1 4.15Å; E99-F103 HydrophobicContact CB-CG 4.24Å; E99-F103 HydrophobicContact CG-CD1 3.68Å; E99-F103 HydrophobicContact CG-CE1 3.76Å; E99-L104 HydrophobicContact CB-CD2 3.94Å; E99-L104 HydrophobicContact CB-CG 3.99Å; E99-Y134 WeakPolarHBondContact OE1-CE1 3.35Å; E99-Y134 PolarHBondContact OE1-OH 2.86Å; E99-Y134 PolarHBondContact OE2-OH 2.91Å; E99-R162 PolarHBondContact O-NH1 3.14Å; E99-R164 IonicContact OE2-CZ 3.44Å; E99-R164 IonicContact OE2-NE 3.99Å; E99-R164 PolarHBondContact OE2-NE 2.89Å; E99-R164 IonicContact OE2-NH2 2.83Å; E99-R164 PolarHBondContact OE2-NH2 2.73Å
100	S	69.3	Low	75.2	Confident	24 Å²	24	33.5 Å²	33.5	17%	0.168	17%	0.172	C	C	.	.			trans	-62.8	152.4	176.4	74.2	0	0	0	0	112.2	E94 R102 F103 L104	E94-S100 WeakPolarHBondContact OE1-CB 3.38Å; E94-S100 PolarHBondContact OE1-OG 3.21Å; E94-S100 PolarHBondContact OE2-N 2.93Å; S100-R102 PolarHBondContact O-N 3.24Å; S100-F103 PolarHBondContact O-N 3.37Å; S100-F103 VanDerWaalsContact O-N 3.12Å; S100-F103 WeakPolarHBondContact OG-CB 3.2Å; S100-F103 PolarHBondContact OG-N 2.61Å; S100-F103 VanDerWaalsContact OG-N 3.15Å; S100-L104 WeakPolarHBondContact O-CG 3.48Å; S100-L104 PolarHBondContact O-N 2.8Å
101	D	65.3	Low	73.2	Confident	82 Å²	82	35.2 Å²	35.2	44%	0.439	18%	0.18	S	C	.	.	H	α-helix	trans	-55.6	-37.5	175	-74.7	-60.5	0	0	0	112.5	L104 S105 R162	D101-L104 PolarHBondContact O-N 2.82Å; D101-S105 VanDerWaalsContact O-CB 3.31Å; D101-S105 WeakPolarHBondContact O-CB 3.13Å; D101-S105 PolarHBondContact O-N 3.1Å; D101-R162 IonicContact OD1-CZ 2.89Å; D101-R162 IonicContact OD1-NE 2.83Å; D101-R162 PolarHBondContact OD1-NE 2.79Å; D101-R162 VanDerWaalsContact OD1-NE 3.16Å; D101-R162 IonicContact OD1-NH1 3.66Å; D101-R162 PolarHBondContact OD1-NH1 3.32Å; D101-R162 IonicContact OD1-NH2 3.09Å; D101-R162 PolarHBondContact OD1-NH2 3.04Å; D101-R162 IonicContact OD2-CZ 3.4Å; D101-R162 IonicContact OD2-NH1 3.67Å; D101-R162 IonicContact OD2-NH2 2.59Å; D101-R162 PolarHBondContact OD2-NH2 3.29Å
102	R	73.8	Confident	70.5	Confident	105 Å²	105	39.2 Å²	39.2	40%	0.396	21%	0.208	S	C	.	.	H	α-helix	trans	-62.5	-49.3	177.6	179.4	170.5	-66	-106.3	-4.6	110.7	Y57 S100 S105 Y106	Y57-R102 PolarHBondContact OH-NH1 3.03Å; S100-R102 PolarHBondContact O-N 3.24Å; R102-S105 WeakPolarHBondContact O-CB 3.28Å; R102-S105 PolarHBondContact O-N 2.9Å; R102-S105 PolarHBondContact O-OG 3.45Å; R102-Y106 HydrophobicContact CG-CE1 4.21Å; R102-Y106 HydrophobicContact CG-CE2 4.35Å; R102-Y106 VanDerWaalsContact CG-OH 3.23Å; R102-Y106 WeakPolarHBondContact CG-OH 3.43Å
103	F	81.3	Confident	68.3	Low	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-49.8	176.7	177.4	-91.3	0	0	0	111.8	F39 I47 H59 W61 E94 E99 S100 S105 Y106 F107 V132	F39-F103 HydrophobicContact CE1-CZ 4.37Å; F39-F103 HydrophobicContact CE2-CZ 4.09Å; F39-F103 AromaticContact CZ-CZ 3.76Å; F39-F103 HydrophobicContact CZ-CZ 3.76Å; I47-F103 HydrophobicContact CD1-CE2 3.77Å; I47-F103 HydrophobicContact CD1-CZ 4.47Å; I47-F103 HydrophobicContact CG1-CE2 3.92Å; H59-F103 HydrophobicContact CB-CD2 3.96Å; H59-F103 HydrophobicContact CB-CE2 4.41Å; W61-F103 HydrophobicContact CB-CE2 4.25Å; W61-F103 HydrophobicContact CB-CZ 4.15Å; W61-F103 AromaticContact CD1-CE1 3.74Å; W61-F103 AromaticContact CD1-CZ 3.49Å; W61-F103 VanDerWaalsContact CD1-CZ 3.49Å; W61-F103 HydrophobicContact CG-CZ 4.03Å; E94-F103 HydrophobicContact CG-CB 4.15Å; E94-F103 HydrophobicContact CG-CD2 3.79Å; E94-F103 HydrophobicContact CG-CE2 4.36Å; E94-F103 HydrophobicContact CG-CG 4Å; E94-F103 WeakPolarHBondContact OE1-CB 3.48Å; E99-F103 HydrophobicContact CB-CB 4.39Å; E99-F103 HydrophobicContact CB-CD1 3.53Å; E99-F103 HydrophobicContact CB-CE1 4.15Å; E99-F103 HydrophobicContact CB-CG 4.24Å; E99-F103 HydrophobicContact CG-CD1 3.68Å; E99-F103 HydrophobicContact CG-CE1 3.76Å; S100-F103 PolarHBondContact O-N 3.37Å; S100-F103 VanDerWaalsContact O-N 3.12Å; S100-F103 WeakPolarHBondContact OG-CB 3.2Å; S100-F103 PolarHBondContact OG-N 2.61Å; S100-F103 VanDerWaalsContact OG-N 3.15Å; F103-S105 PolarHBondContact O-N 3.42Å; F103-Y106 WeakPolarHBondContact O-CB 3.46Å; F103-Y106 WeakPolarHBondContact O-CD2 3.46Å; F103-Y106 PolarHBondContact O-N 3.16Å; F103-Y106 VanDerWaalsContact O-N 3.1Å; F103-F107 HydrophobicContact CD1-CD2 4.32Å; F103-F107 AromaticContact CD1-CE2 3.78Å; F103-F107 HydrophobicContact CD1-CE2 3.78Å; F103-F107 HydrophobicContact CD2-CE2 4.11Å; F103-F107 HydrophobicContact CE1-CD2 4.1Å; F103-F107 AromaticContact CE1-CE2 3.4Å; F103-F107 HydrophobicContact CE1-CE2 3.4Å; F103-F107 VanDerWaalsContact CE1-CE2 3.4Å; F103-F107 HydrophobicContact CE1-CZ 4.19Å; F103-F107 AromaticContact CE2-CE2 3.77Å; F103-F107 HydrophobicContact CE2-CE2 3.77Å; F103-F107 HydrophobicContact CE2-CZ 4.02Å; F103-F107 HydrophobicContact CG-CE2 4.13Å; F103-F107 HydrophobicContact CZ-CD2 4.47Å; F103-F107 AromaticContact CZ-CE2 3.41Å; F103-F107 HydrophobicContact CZ-CE2 3.41Å; F103-F107 VanDerWaalsContact CZ-CE2 3.41Å; F103-F107 AromaticContact CZ-CZ 3.75Å; F103-F107 HydrophobicContact CZ-CZ 3.75Å; F103-F107 VanDerWaalsContact O-CD2 3.25Å; F103-F107 WeakPolarHBondContact O-CD2 3.46Å; F103-F107 VanDerWaalsContact O-CE2 3.29Å; F103-F107 WeakPolarHBondContact O-CE2 3.49Å; F103-V132 HydrophobicContact CE1-CG2 4.2Å
104	L	73.2	Confident	65.7	Low	9 Å²	9	51.7 Å²	51.7	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-34.1	179.7	-65.6	174.9	0	0	0	111.7	E99 S100 D101 Y106 F107 C130 V132 R162	E99-L104 HydrophobicContact CB-CD2 3.94Å; E99-L104 HydrophobicContact CB-CG 3.99Å; S100-L104 WeakPolarHBondContact O-CG 3.48Å; S100-L104 PolarHBondContact O-N 2.8Å; D101-L104 PolarHBondContact O-N 2.82Å; L104-Y106 PolarHBondContact O-N 2.84Å; L104-F107 PolarHBondContact O-N 3.2Å; L104-C130 HydrophobicContact CB-CB 4.24Å; L104-C130 VanDerWaalsContact O-CB 3.31Å; L104-C130 WeakPolarHBondContact O-CB 3.37Å; L104-C130 PolarHBondContact O-SG 3.05Å; L104-V132 HydrophobicContact CD2-CB 4.44Å; L104-V132 HydrophobicContact CD2-CG2 3.65Å; L104-R162 HydrophobicContact CD1-CB 4.35Å; L104-R162 HydrophobicContact CD1-CG 4.12Å
105	S	73.3	Confident	63	Low	46 Å²	46	56.4 Å²	56.4	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-24.1	179	81.1	0	0	0	0	114	D101 R102 F103 F107 K108	D101-S105 VanDerWaalsContact O-CB 3.31Å; D101-S105 WeakPolarHBondContact O-CB 3.13Å; D101-S105 PolarHBondContact O-N 3.1Å; R102-S105 WeakPolarHBondContact O-CB 3.28Å; R102-S105 PolarHBondContact O-N 2.9Å; R102-S105 PolarHBondContact O-OG 3.45Å; F103-S105 PolarHBondContact O-N 3.42Å; S105-F107 VanDerWaalsContact C-N 3.28Å; S105-F107 PolarHBondContact O-N 3.15Å; S105-K108 WeakPolarHBondContact O-CG 3.39Å; S105-K108 PolarHBondContact O-N 2.76Å
106	Y	81.9	Confident	60.8	Low	37 Å²	37	57.4 Å²	57.4	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-70.7	-26.2	178.9	-56.8	-34.9	0	0	0	113.3	L18 H49 H59 R102 F103 L104 K108	L18-Y106 HydrophobicContact CD1-CD1 4.46Å; L18-Y106 HydrophobicContact CD1-CD2 3.89Å; L18-Y106 HydrophobicContact CD1-CG 3.86Å; H49-Y106 HydrophobicContact CB-CD1 4.43Å; H49-Y106 HydrophobicContact CB-CE1 3.79Å; H49-Y106 HydrophobicContact CB-CE2 3.94Å; H49-Y106 VanDerWaalsContact CB-CZ 3.49Å; H49-Y106 WeakPolarHBondContact CB-OH 3.36Å; H49-Y106 AromaticContact CD2-CD1 3.52Å; H49-Y106 AromaticContact CD2-CE1 3.19Å; H49-Y106 WeakPolarHBondContact CD2-CE1 3.19Å; H49-Y106 AromaticContact CD2-CZ 3.88Å; H49-Y106 AromaticContact CG-CE1 3.37Å; H49-Y106 AromaticContact CG-CZ 3.57Å; H49-Y106 AromaticContact ND1-CE1 3.99Å; H49-Y106 AromaticContact NE2-CE1 3.74Å; H59-Y106 AromaticContact CD2-CE2 3.72Å; H59-Y106 AromaticContact CE1-CE2 3.93Å; H59-Y106 AromaticContact NE2-CE2 3.38Å; H59-Y106 WeakPolarHBondContact NE2-CE2 3.11Å; H59-Y106 AromaticContact NE2-CZ 3.74Å; H59-Y106 PolarHBondContact NE2-OH 3.49Å; R102-Y106 HydrophobicContact CG-CE1 4.21Å; R102-Y106 HydrophobicContact CG-CE2 4.35Å; R102-Y106 VanDerWaalsContact CG-OH 3.23Å; R102-Y106 WeakPolarHBondContact CG-OH 3.43Å; F103-Y106 WeakPolarHBondContact O-CB 3.46Å; F103-Y106 WeakPolarHBondContact O-CD2 3.46Å; F103-Y106 PolarHBondContact O-N 3.16Å; F103-Y106 VanDerWaalsContact O-N 3.1Å; L104-Y106 PolarHBondContact O-N 2.84Å; Y106-K108 VanDerWaalsContact C-N 3.3Å
107	F	75.6	Confident	58.5	Low	9 Å²	9	64.6 Å²	64.6	4%	0.039	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	20.7	-178.6	-50.2	-80.6	0	0	0	112.3	L18 I20 G37 F39 F103 L104 S105 R109 F131 V132	L18-F107 HydrophobicContact CD2-CE1 4.1Å; L18-F107 HydrophobicContact CD2-CZ 4.37Å; I20-F107 HydrophobicContact CD1-CE1 3.66Å; I20-F107 HydrophobicContact CD1-CZ 4.06Å; G37-F107 VanDerWaalsContact CA-CD1 3.43Å; F39-F107 HydrophobicContact CE2-CD1 4.48Å; F39-F107 AromaticContact CE2-CE1 3.87Å; F39-F107 HydrophobicContact CE2-CE1 3.87Å; F39-F107 HydrophobicContact CE2-CE2 4.31Å; F39-F107 AromaticContact CE2-CZ 3.8Å; F39-F107 HydrophobicContact CE2-CZ 3.8Å; F39-F107 AromaticContact CZ-CE1 3.76Å; F39-F107 HydrophobicContact CZ-CE1 3.76Å; F39-F107 HydrophobicContact CZ-CE2 4.29Å; F39-F107 AromaticContact CZ-CZ 3.5Å; F39-F107 HydrophobicContact CZ-CZ 3.5Å; F39-F107 VanDerWaalsContact CZ-CZ 3.5Å; F103-F107 HydrophobicContact CD1-CD2 4.32Å; F103-F107 AromaticContact CD1-CE2 3.78Å; F103-F107 HydrophobicContact CD1-CE2 3.78Å; F103-F107 HydrophobicContact CD2-CE2 4.11Å; F103-F107 HydrophobicContact CE1-CD2 4.1Å; F103-F107 AromaticContact CE1-CE2 3.4Å; F103-F107 HydrophobicContact CE1-CE2 3.4Å; F103-F107 VanDerWaalsContact CE1-CE2 3.4Å; F103-F107 HydrophobicContact CE1-CZ 4.19Å; F103-F107 AromaticContact CE2-CE2 3.77Å; F103-F107 HydrophobicContact CE2-CE2 3.77Å; F103-F107 HydrophobicContact CE2-CZ 4.02Å; F103-F107 HydrophobicContact CG-CE2 4.13Å; F103-F107 HydrophobicContact CZ-CD2 4.47Å; F103-F107 AromaticContact CZ-CE2 3.41Å; F103-F107 HydrophobicContact CZ-CE2 3.41Å; F103-F107 VanDerWaalsContact CZ-CE2 3.41Å; F103-F107 AromaticContact CZ-CZ 3.75Å; F103-F107 HydrophobicContact CZ-CZ 3.75Å; F103-F107 VanDerWaalsContact O-CD2 3.25Å; F103-F107 WeakPolarHBondContact O-CD2 3.46Å; F103-F107 VanDerWaalsContact O-CE2 3.29Å; F103-F107 WeakPolarHBondContact O-CE2 3.49Å; L104-F107 PolarHBondContact O-N 3.2Å; S105-F107 VanDerWaalsContact C-N 3.28Å; S105-F107 PolarHBondContact O-N 3.15Å; F107-R109 PolarHBondContact O-N 2.72Å; F107-F131 WeakPolarHBondContact CB-O 3.39Å; F107-F131 PolarHBondContact O-N 3.28Å; F107-V132 HydrophobicContact CB-CG2 4.26Å; F107-V132 HydrophobicContact CD2-CG2 3.69Å; F107-V132 HydrophobicContact CE2-CG2 4.37Å; F107-V132 HydrophobicContact CG-CG2 4.05Å
108	K	65.3	Low	57.1	Low	79 Å²	79	66 Å²	66	34%	0.343	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	103.1	168.8	-73.3	177.6	178.2	175.5	0	108.9	S105 Y106 G110 F129 C130	S105-K108 WeakPolarHBondContact O-CG 3.39Å; S105-K108 PolarHBondContact O-N 2.76Å; Y106-K108 VanDerWaalsContact C-N 3.3Å; K108-G110 PolarHBondContact O-N 3.26Å; K108-F129 WeakPolarHBondContact CA-O 3.27Å; K108-C130 VanDerWaalsContact CG-SG 3.55Å
109	R	57	Low	55.6	Low	59 Å²	59	66.8 Å²	66.8	22%	0.223	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	103.4	167.3	-59.3	-177.9	173.9	-165.8	0.4	106.4	S34 Y36 F107 I111 G128 F129 F131 E214	S34-R109 PolarHBondContact O-NH2 2.9Å; Y36-R109 PolarHBondContact O-NH2 3.17Å; F107-R109 PolarHBondContact O-N 2.72Å; R109-I111 PolarHBondContact O-N 2.83Å; R109-G128 WeakPolarHBondContact O-CA 3.43Å; R109-F129 PolarHBondContact N-O 3.21Å; R109-F131 HydrophobicContact CB-CD2 3.55Å; R109-F131 HydrophobicContact CB-CE2 3.58Å; R109-F131 HydrophobicContact CG-CD2 3.77Å; R109-F131 HydrophobicContact CG-CE2 4.3Å; R109-F131 HydrophobicContact CG-CG 4.47Å; R109-E214 WeakPolarHBondContact CD-OE1 3.49Å; R109-E214 IonicContact CZ-OE1 3.52Å; R109-E214 IonicContact CZ-OE2 3.6Å; R109-E214 IonicContact NE-OE1 3.89Å; R109-E214 IonicContact NH1-OE1 2.61Å; R109-E214 PolarHBondContact NH1-OE1 3.09Å; R109-E214 IonicContact NH1-OE2 2.95Å; R109-E214 PolarHBondContact NH1-OE2 3.41Å
110	G	45	Very low	53.9	Low	45 Å²	45	71.1 Å²	71.1	46%	0.464	38%	0.378	S	S	.	.			trans	-57.7	131.6	162.5	0	0	0	0	0	107.2	K108 S112	K108-G110 PolarHBondContact O-N 3.26Å; G110-S112 PolarHBondContact O-N 3.28Å
111	I	36.1	Very low	52.7	Low	48 Å²	48	72.3 Å²	72.3	25%	0.246	38%	0.382	C	S	.	.			trans	-43.8	119.7	165.6	-61.6	168	0	0	0	105.5	R109 I116 L121 L125	R109-I111 PolarHBondContact O-N 2.83Å; I111-I116 HydrophobicContact CD1-CD1 3.97Å; I111-I116 HydrophobicContact CG1-CD1 4.46Å; I111-I116 HydrophobicContact CG2-CD1 3.54Å; I111-I116 HydrophobicContact CG2-CG1 3.68Å; I111-L121 HydrophobicContact CD1-CD2 3.65Å; I111-L125 HydrophobicContact CD1-CB 4.15Å; I111-L125 WeakPolarHBondContact CD1-O 3.22Å
112	S	34	Very low	51.6	Low	83 Å²	83	68.5 Å²	68.5	58%	0.58	36%	0.362	S	S	*	.			trans	-34.3	149.6	-177.5	170.6	0	0	0	0	112	G110 Q114	G110-S112 PolarHBondContact O-N 3.28Å; S112-Q114 CarbonylContact O-C 3.59Å; S112-Q114 PolarHBondContact O-N 3.19Å
113	K	37.3	Very low	50.1	Low	219 Å²	219	63.8 Å²	63.8	95%	0.952	35%	0.345	S	S	*	.	S	Bend	trans	-56.8	13.4	172.9	-68.4	-178.7	175.8	179.5	0	114.9
114	Q	35.6	Very low	48.2	Very low	87 Å²	87	66.8 Å²	66.8	41%	0.407	36%	0.358	S	S	.	.	S	Bend	trans	-94	112.1	162	-67.2	-96.6	-10.9	0	0	107.5	S112 I116	S112-Q114 CarbonylContact O-C 3.59Å; S112-Q114 PolarHBondContact O-N 3.19Å; Q114-I116 PolarHBondContact O-N 2.8Å
115	P	30.9	Very low	46.7	Very low	99 Å²	99	66.4 Å²	66.4	64%	0.643	36%	0.356	S	S	*	.			trans	-60.3	119.2	176.2	25.4	-29.8	0	0	0	107.7	H117	P115-H117 VanDerWaalsContact C-N 3.34Å; P115-H117 PolarHBondContact O-N 2.91Å
116	I	37.5	Very low	45.3	Very low	39 Å²	39	70.5 Å²	70.5	20%	0.2	37%	0.368	C	S	.	.			trans	-53.2	112.5	152	-58.5	176.9	0	0	0	104.1	I111 Q114 I118 L121	I111-I116 HydrophobicContact CD1-CD1 3.97Å; I111-I116 HydrophobicContact CG1-CD1 4.46Å; I111-I116 HydrophobicContact CG2-CD1 3.54Å; I111-I116 HydrophobicContact CG2-CG1 3.68Å; Q114-I116 PolarHBondContact O-N 2.8Å; I116-I118 HydrophobicContact CG2-CB 4.09Å; I116-I118 HydrophobicContact CG2-CD1 3.35Å; I116-I118 HydrophobicContact CG2-CG1 3.54Å; I116-I118 PolarHBondContact O-N 3.1Å; I116-L121 HydrophobicContact CD1-CD2 4.05Å
117	H	37.8	Very low	43.4	Very low	169 Å²	169	71.4 Å²	71.4	78%	0.782	37%	0.372	S	S	*	.	S	Bend	trans	-71.6	47.1	176	-112.8	-87.7	0	0	0	110.4	P115	P115-H117 VanDerWaalsContact C-N 3.34Å; P115-H117 PolarHBondContact O-N 2.91Å
118	I	40.6	Very low	41.9	Very low	47 Å²	47	71.6 Å²	71.6	24%	0.241	38%	0.376	C	S	.	.			trans	-93.9	104.5	159.5	-62.8	162.2	0	0	0	104.3	I116 N120 L121 F472	I116-I118 HydrophobicContact CG2-CB 4.09Å; I116-I118 HydrophobicContact CG2-CD1 3.35Å; I116-I118 HydrophobicContact CG2-CG1 3.54Å; I116-I118 PolarHBondContact O-N 3.1Å; I118-N120 PolarHBondContact O-N 2.82Å; I118-L121 HydrophobicContact CB-CB 4.26Å; I118-L121 HydrophobicContact CD1-CD1 4.05Å; I118-L121 HydrophobicContact CG2-CB 4.28Å; I118-L121 PolarHBondContact O-N 2.9Å; I118-F472 HydrophobicContact CD1-CB 4.35Å; I118-F472 HydrophobicContact CD1-CD2 3.18Å; I118-F472 HydrophobicContact CD1-CE2 3.47Å; I118-F472 VanDerWaalsContact CD1-CE2 3.47Å; I118-F472 HydrophobicContact CD1-CG 3.83Å; I118-F472 HydrophobicContact CD1-CZ 4.3Å; I118-F472 HydrophobicContact CG1-CD2 4.02Å; I118-F472 HydrophobicContact CG1-CE2 4.42Å
119	S	39.6	Very low	41.2	Very low	115 Å²	115	69.4 Å²	69.4	80%	0.804	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.5	-179.1	56.2	0	0	0	0	114
120	N	41	Very low	41.2	Very low	93 Å²	93	68.4 Å²	68.4	50%	0.497	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	21.4	-172.7	-61.5	-13	0	0	0	113.6	I118 P122	I118-N120 PolarHBondContact O-N 2.82Å; N120-P122 VanDerWaalsContact O-CD 3.24Å; N120-P122 WeakPolarHBondContact O-CD 3.45Å
121	L	44.5	Very low	42.2	Very low	49 Å²	49	66.7 Å²	66.7	26%	0.257	35%	0.348	S	S	.	.			trans	-67.2	128.7	178.9	-162.5	69.1	0	0	0	110.3	I111 I116 I118 S123 L125	I111-L121 HydrophobicContact CD1-CD2 3.65Å; I116-L121 HydrophobicContact CD1-CD2 4.05Å; I118-L121 HydrophobicContact CB-CB 4.26Å; I118-L121 HydrophobicContact CD1-CD1 4.05Å; I118-L121 HydrophobicContact CG2-CB 4.28Å; I118-L121 PolarHBondContact O-N 2.9Å; L121-S123 PolarHBondContact O-N 2.98Å; L121-L125 HydrophobicContact CD1-CD1 3.34Å; L121-L125 HydrophobicContact CD2-CB 4.08Å; L121-L125 HydrophobicContact CD2-CD1 4.26Å; L121-L125 HydrophobicContact CG-CB 4.05Å; L121-L125 HydrophobicContact CG-CD1 3.59Å; L121-L125 HydrophobicContact CG-CG 4.42Å
122	P	43.1	Very low	43.8	Very low	1 Å²	1	64.5 Å²	64.5	1%	0.006	34%	0.337	C	S	.	.			trans	-54.1	137.5	178.2	-42.3	47.1	0	0	0	116.8	N120 F124 L125 K126 S462 V464	N120-P122 VanDerWaalsContact O-CD 3.24Å; N120-P122 WeakPolarHBondContact O-CD 3.45Å; P122-F124 HydrophobicContact CB-CD1 3.33Å; P122-F124 HydrophobicContact CB-CE1 3.27Å; P122-F124 HydrophobicContact CB-CG 4.23Å; P122-F124 HydrophobicContact CB-CZ 4.14Å; P122-F124 HydrophobicContact CG-CD1 4.4Å; P122-F124 HydrophobicContact CG-CE1 3.91Å; P122-F124 PolarHBondContact O-N 3.02Å; P122-L125 HydrophobicContact CB-CD1 4.27Å; P122-L125 HydrophobicContact CB-CG 4.22Å; P122-L125 HydrophobicContact CG-CD1 4.49Å; P122-L125 WeakPolarHBondContact O-CA 3.49Å; P122-L125 WeakPolarHBondContact O-CB 3.25Å; P122-L125 PolarHBondContact O-N 2.94Å; P122-K126 PolarHBondContact O-N 3.2Å; P122-S462 WeakPolarHBondContact CA-OG 3.39Å; P122-S462 WeakPolarHBondContact CB-O 3.33Å; P122-S462 WeakPolarHBondContact CG-O 3.28Å; P122-V464 HydrophobicContact CB-CG2 4.02Å; P122-V464 HydrophobicContact CG-CB 3.82Å; P122-V464 HydrophobicContact CG-CG1 4.43Å; P122-V464 HydrophobicContact CG-CG2 3.31Å
123	S	40.5	Very low	45.8	Very low	7 Å²	7	60.7 Å²	60.7	5%	0.049	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-28.4	175.6	46.9	0	0	0	0	111.9	L121 L125 K126 Y127 A458 K459 S462	L121-S123 PolarHBondContact O-N 2.98Å; S123-L125 VanDerWaalsContact C-N 3.25Å; S123-L125 PolarHBondContact O-N 3.49Å; S123-K126 WeakPolarHBondContact O-CA 3.4Å; S123-K126 WeakPolarHBondContact O-CB 3.48Å; S123-K126 PolarHBondContact O-N 3.5Å; S123-Y127 WeakPolarHBondContact O-CD2 3.44Å; S123-Y127 WeakPolarHBondContact O-CE2 3.33Å; S123-Y127 PolarHBondContact O-N 3.42Å; S123-A458 VanDerWaalsContact CB-O 3.32Å; S123-A458 WeakPolarHBondContact CB-O 3.5Å; S123-A458 PolarHBondContact OG-O 3.45Å; S123-K459 WeakPolarHBondContact OG-CA 3.29Å; S123-K459 PolarHBondContact OG-O 3.05Å; S123-S462 PolarHBondContact N-OG 2.7Å; S123-S462 PolarHBondContact OG-OG 3.01Å; S123-S462 VanDerWaalsContact OG-OG 3.06Å
124	F	43.3	Very low	48	Very low	63 Å²	63	50.6 Å²	50.6	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-30.1	171.2	78	-97.4	0	0	0	113.1	P122 K126 Y127 F129 T203 V464	P122-F124 HydrophobicContact CB-CD1 3.33Å; P122-F124 HydrophobicContact CB-CE1 3.27Å; P122-F124 HydrophobicContact CB-CG 4.23Å; P122-F124 HydrophobicContact CB-CZ 4.14Å; P122-F124 HydrophobicContact CG-CD1 4.4Å; P122-F124 HydrophobicContact CG-CE1 3.91Å; P122-F124 PolarHBondContact O-N 3.02Å; F124-K126 VanDerWaalsContact C-N 3.34Å; F124-Y127 PolarHBondContact O-N 3.17Å; F124-F129 HydrophobicContact CD2-CZ 4.32Å; F124-F129 HydrophobicContact CE2-CE1 4.44Å; F124-F129 AromaticContact CE2-CZ 3.99Å; F124-F129 HydrophobicContact CE2-CZ 3.99Å; F124-T203 HydrophobicContact CE2-CG2 4.24Å; F124-V464 HydrophobicContact CE1-CG2 3.79Å; F124-V464 HydrophobicContact CZ-CG2 3.56Å
125	L	41.6	Very low	50.2	Low	1 Å²	1	47 Å²	47	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-73.2	-28.1	171.1	-56.1	174.4	0	0	0	111.9	I111 L121 P122 S123 Y127 G128 F129 V206 V464	I111-L125 HydrophobicContact CD1-CB 4.15Å; I111-L125 WeakPolarHBondContact CD1-O 3.22Å; L121-L125 HydrophobicContact CD1-CD1 3.34Å; L121-L125 HydrophobicContact CD2-CB 4.08Å; L121-L125 HydrophobicContact CD2-CD1 4.26Å; L121-L125 HydrophobicContact CG-CB 4.05Å; L121-L125 HydrophobicContact CG-CD1 3.59Å; L121-L125 HydrophobicContact CG-CG 4.42Å; P122-L125 HydrophobicContact CB-CD1 4.27Å; P122-L125 HydrophobicContact CB-CG 4.22Å; P122-L125 HydrophobicContact CG-CD1 4.49Å; P122-L125 WeakPolarHBondContact O-CA 3.49Å; P122-L125 WeakPolarHBondContact O-CB 3.25Å; P122-L125 PolarHBondContact O-N 2.94Å; S123-L125 VanDerWaalsContact C-N 3.25Å; S123-L125 PolarHBondContact O-N 3.49Å; L125-Y127 PolarHBondContact O-N 3.03Å; L125-G128 PolarHBondContact O-N 3.49Å; L125-F129 HydrophobicContact CD2-CD2 4.32Å; L125-F129 HydrophobicContact CD2-CE1 4.42Å; L125-F129 HydrophobicContact CD2-CE2 3.1Å; L125-F129 HydrophobicContact CD2-CZ 3.15Å; L125-V206 HydrophobicContact CD1-CG1 4.07Å; L125-V206 HydrophobicContact CD2-CB 4.47Å; L125-V206 HydrophobicContact CD2-CG1 3.99Å; L125-V464 HydrophobicContact CD1-CG2 3.93Å
126	K	43	Very low	52.6	Low	132 Å²	132	46.3 Å²	46.3	57%	0.574	24%	0.238	S	C	*	.	H	α-helix	trans	-65.3	-24.7	173.6	-169	-173.6	174.4	-168.9	0	112.5	P122 S123 F124 D456	P122-K126 PolarHBondContact O-N 3.2Å; S123-K126 WeakPolarHBondContact O-CA 3.4Å; S123-K126 WeakPolarHBondContact O-CB 3.48Å; S123-K126 PolarHBondContact O-N 3.5Å; F124-K126 VanDerWaalsContact C-N 3.34Å; K126-D456 IonicContact NZ-OD2 3.25Å
127	Y	42.1	Very low	54.8	Low	56 Å²	56	45.3 Å²	45.3	22%	0.22	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.5	179.9	-55.5	-63.5	0	0	0	114.7	S123 F124 L125 D456 K459	S123-Y127 WeakPolarHBondContact O-CD2 3.44Å; S123-Y127 WeakPolarHBondContact O-CE2 3.33Å; S123-Y127 PolarHBondContact O-N 3.42Å; F124-Y127 PolarHBondContact O-N 3.17Å; L125-Y127 PolarHBondContact O-N 3.03Å; Y127-D456 WeakPolarHBondContact OH-CB 3.47Å; Y127-D456 PolarHBondContact OH-OD2 3.4Å; Y127-K459 HydrophobicContact CE2-CB 4.21Å; Y127-K459 HydrophobicContact CE2-CG 3.96Å
128	G	44.6	Very low	56.9	Low	12 Å²	12	37.3 Å²	37.3	12%	0.124	20%	0.2	C	C	.	.			trans	80.3	140	171.2	0	0	0	0	0	114.3	R109 L125	R109-G128 WeakPolarHBondContact O-CA 3.43Å; L125-G128 PolarHBondContact O-N 3.49Å
129	F	50.8	Low	58.9	Low	34 Å²	34	35.7 Å²	35.7	15%	0.149	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	151.2	167	-66.5	-74.7	0	0	0	111.1	K108 R109 F124 L125 F131 T203 L207	K108-F129 WeakPolarHBondContact CA-O 3.27Å; R109-F129 PolarHBondContact N-O 3.21Å; F124-F129 HydrophobicContact CD2-CZ 4.32Å; F124-F129 HydrophobicContact CE2-CE1 4.44Å; F124-F129 AromaticContact CE2-CZ 3.99Å; F124-F129 HydrophobicContact CE2-CZ 3.99Å; L125-F129 HydrophobicContact CD2-CD2 4.32Å; L125-F129 HydrophobicContact CD2-CE1 4.42Å; L125-F129 HydrophobicContact CD2-CE2 3.1Å; L125-F129 HydrophobicContact CD2-CZ 3.15Å; F129-F131 HydrophobicContact CB-CE2 4.07Å; F129-F131 HydrophobicContact CB-CZ 4.26Å; F129-F131 WeakPolarHBondContact O-CD2 3.43Å; F129-F131 WeakPolarHBondContact O-CE2 3.14Å; F129-F131 PolarHBondContact O-N 3.17Å; F129-T203 HydrophobicContact CD1-CG2 4.3Å; F129-T203 HydrophobicContact CE1-CG2 3.16Å; F129-T203 HydrophobicContact CE2-CG2 4.4Å; F129-T203 HydrophobicContact CZ-CG2 3.22Å; F129-L207 HydrophobicContact CB-CD2 3.26Å; F129-L207 HydrophobicContact CB-CG 4.23Å; F129-L207 HydrophobicContact CD1-CD1 3.82Å; F129-L207 HydrophobicContact CD1-CD2 3.89Å; F129-L207 HydrophobicContact CD1-CG 3.94Å; F129-L207 HydrophobicContact CD2-CD1 4.34Å; F129-L207 HydrophobicContact CD2-CD2 3.28Å; F129-L207 HydrophobicContact CD2-CG 3.54Å; F129-L207 HydrophobicContact CE1-CD1 4.01Å; F129-L207 HydrophobicContact CE1-CG 4.17Å; F129-L207 HydrophobicContact CE2-CD1 4.42Å; F129-L207 HydrophobicContact CE2-CD2 3.99Å; F129-L207 HydrophobicContact CE2-CG 3.7Å; F129-L207 HydrophobicContact CG-CD1 4.02Å; F129-L207 HydrophobicContact CG-CD2 3.19Å; F129-L207 HydrophobicContact CG-CG 3.64Å; F129-L207 HydrophobicContact CZ-CD1 4.29Å; F129-L207 HydrophobicContact CZ-CG 4.04Å
130	C	57.1	Low	60.9	Low	37 Å²	37	35.9 Å²	35.9	25%	0.25	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.8	172.4	-54.5	0	0	0	0	109.5	L104 K108	L104-C130 HydrophobicContact CB-CB 4.24Å; L104-C130 VanDerWaalsContact O-CB 3.31Å; L104-C130 WeakPolarHBondContact O-CB 3.37Å; L104-C130 PolarHBondContact O-SG 3.05Å; K108-C130 VanDerWaalsContact CG-SG 3.55Å
131	F	64.2	Low	62.5	Low	10 Å²	10	34.8 Å²	34.8	4%	0.044	18%	0.178	C	C	.	.			trans	-103.2	98.7	179.6	-66.1	-91.6	0	0	0	110.6	F107 R109 F129 M165 L207	F107-F131 WeakPolarHBondContact CB-O 3.39Å; F107-F131 PolarHBondContact O-N 3.28Å; R109-F131 HydrophobicContact CB-CD2 3.55Å; R109-F131 HydrophobicContact CB-CE2 3.58Å; R109-F131 HydrophobicContact CG-CD2 3.77Å; R109-F131 HydrophobicContact CG-CE2 4.3Å; R109-F131 HydrophobicContact CG-CG 4.47Å; F129-F131 HydrophobicContact CB-CE2 4.07Å; F129-F131 HydrophobicContact CB-CZ 4.26Å; F129-F131 WeakPolarHBondContact O-CD2 3.43Å; F129-F131 WeakPolarHBondContact O-CE2 3.14Å; F129-F131 PolarHBondContact O-N 3.17Å; F131-M165 HydrophobicContact CD1-CE 3.76Å; F131-M165 HydrophobicContact CD1-SD 3.95Å; F131-M165 HydrophobicContact CE1-CE 3.77Å; F131-M165 HydrophobicContact CE1-SD 4.5Å; F131-L207 HydrophobicContact CE1-CD2 4.16Å; F131-L207 HydrophobicContact CZ-CD2 4.23Å
132	V	71.2	Confident	63.5	Low	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.194	C	C	.	.			trans	-116.4	117	162.7	-174	0	0	0	0	107.8	F39 F103 L104 F107 Y134 M165	F39-V132 HydrophobicContact CD2-CG1 3.66Å; F39-V132 HydrophobicContact CE2-CG1 3.99Å; F103-V132 HydrophobicContact CE1-CG2 4.2Å; L104-V132 HydrophobicContact CD2-CB 4.44Å; L104-V132 HydrophobicContact CD2-CG2 3.65Å; F107-V132 HydrophobicContact CB-CG2 4.26Å; F107-V132 HydrophobicContact CD2-CG2 3.69Å; F107-V132 HydrophobicContact CE2-CG2 4.37Å; F107-V132 HydrophobicContact CG-CG2 4.05Å; V132-Y134 HydrophobicContact CB-CE1 4.44Å; V132-Y134 HydrophobicContact CG1-CD1 4.09Å; V132-Y134 HydrophobicContact CG1-CE1 3.39Å; V132-M165 PolarHBondContact O-N 3.43Å
133	S	76.4	Confident	64.3	Low	3 Å²	3	38.9 Å²	38.9	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.2	179.6	-67.2	0	0	0	0	109.9	G37 F39 M165	G37-S133 PolarHBondContact O-N 2.94Å; F39-S133 PolarHBondContact N-O 2.81Å; S133-M165 CarbonylContact C-O 3.47Å; S133-M165 VanDerWaalsContact CA-O 3.29Å; S133-M165 WeakPolarHBondContact CA-O 3.29Å
134	Y	81.9	Confident	65	Low	6 Å²	6	43.6 Å²	43.6	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.8	175.1	-49.3	-47	0	0	0	110.1	F39 W61 Q96 G97 E99 V132 R164 M165 Q166 Q167	F39-Y134 CarbonylContact O-C 3.55Å; F39-Y134 WeakPolarHBondContact O-CA 3.45Å; W61-Y134 HydrophobicContact CH2-CD1 4.31Å; W61-Y134 AromaticContact CZ2-CD1 3.72Å; W61-Y134 HydrophobicContact CZ2-CD1 3.72Å; W61-Y134 AromaticContact CZ2-CE1 3.65Å; W61-Y134 HydrophobicContact CZ2-CE1 3.65Å; Q96-Y134 HydrophobicContact CG-CD1 3.79Å; Q96-Y134 HydrophobicContact CG-CD2 4.13Å; Q96-Y134 HydrophobicContact CG-CE1 3.7Å; Q96-Y134 HydrophobicContact CG-CE2 4.05Å; Q96-Y134 HydrophobicContact CG-CG 4.01Å; Q96-Y134 VanDerWaalsContact NE2-CG 3.33Å; G97-Y134 WeakPolarHBondContact CA-OH 3.29Å; G97-Y134 PolarHBondContact N-OH 2.86Å; G97-Y134 VanDerWaalsContact N-OH 3.12Å; E99-Y134 WeakPolarHBondContact OE1-CE1 3.35Å; E99-Y134 PolarHBondContact OE1-OH 2.86Å; E99-Y134 PolarHBondContact OE2-OH 2.91Å; V132-Y134 HydrophobicContact CB-CE1 4.44Å; V132-Y134 HydrophobicContact CG1-CD1 4.09Å; V132-Y134 HydrophobicContact CG1-CE1 3.39Å; Y134-R164 HydrophobicContact CE2-CB 4.13Å; Y134-R164 HydrophobicContact CE2-CG 4.37Å; Y134-R164 WeakPolarHBondContact OH-CD 3.46Å; Y134-R164 PolarHBondContact OH-NE 3.42Å; Y134-M165 PolarHBondContact N-O 3.29Å; Y134-Q166 HydrophobicContact CD2-CB 4.31Å; Y134-Q166 HydrophobicContact CD2-CG 4.38Å; Y134-Q167 VanDerWaalsContact O-CB 3.25Å; Y134-Q167 WeakPolarHBondContact O-CB 3.31Å; Y134-Q167 PolarHBondContact O-N 2.9Å
135	L	82.3	Confident	65.2	Low	11 Å²	11	48.3 Å²	48.3	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.6	-179.2	-59.2	-177.7	0	0	0	110.3	F38 F39 Y40 E41 F155	F38-L135 HydrophobicContact CB-CD1 3.99Å; F38-L135 HydrophobicContact CD1-CD1 4.35Å; F38-L135 HydrophobicContact CD1-CD2 4.37Å; F39-L135 PolarHBondContact O-N 3.46Å; Y40-L135 CarbonylContact C-O 3.6Å; Y40-L135 VanDerWaalsContact CA-O 3.32Å; Y40-L135 WeakPolarHBondContact CA-O 3.37Å; Y40-L135 HydrophobicContact CD1-CB 3.56Å; Y40-L135 HydrophobicContact CD1-CD1 4.41Å; Y40-L135 HydrophobicContact CE1-CB 3.69Å; Y40-L135 HydrophobicContact CE1-CD1 3.97Å; Y40-L135 HydrophobicContact CE2-CD1 4.26Å; Y40-L135 HydrophobicContact CG-CB 4.21Å; E41-L135 WeakPolarHBondContact CG-O 3.45Å; E41-L135 PolarHBondContact N-O 3.26Å; L135-F155 HydrophobicContact CD2-CE1 3.95Å; L135-F155 HydrophobicContact CD2-CZ 4.48Å
136	E	81.6	Confident	65.2	Low	86 Å²	86	52 Å²	52	40%	0.402	28%	0.284	S	S	.	.	S	Bend	trans	-69.5	145.9	174	-107.1	-173.7	154.8	0	0	111.8	Y40 K65	Y40-E136 WeakPolarHBondContact CD1-O 3.35Å; K65-E136 IonicContact NZ-OE1 3.65Å
137	G	83	Confident	64.7	Low	17 Å²	17	49.2 Å²	49.2	18%	0.175	29%	0.285	C	S	.	.			trans	98	-157.4	178.5	0	0	0	0	0	113.1	G42 S141	G42-G137 WeakPolarHBondContact CA-O 3.35Å; G42-G137 PolarHBondContact N-O 2.9Å; G137-S141 VanDerWaalsContact CA-OG 3.27Å; G137-S141 WeakPolarHBondContact CA-OG 3.23Å
138	G	82.8	Confident	64.6	Low	2 Å²	2	50 Å²	50	2%	0.021	29%	0.293	C	S	.	.			trans	161.9	-172.8	-174.5	0	0	0	0	0	112.2	D43 K140 S141 G142 F143	D43-G138 VanDerWaalsContact CG-CA 3.49Å; D43-G138 WeakPolarHBondContact OD1-CA 3.49Å; D43-G138 WeakPolarHBondContact OD2-CA 3.4Å; G138-K140 VanDerWaalsContact C-N 3.3Å; G138-K140 PolarHBondContact O-N 2.98Å; G138-S141 PolarHBondContact N-OG 3.13Å; G138-S141 PolarHBondContact O-N 3.01Å; G138-S141 PolarHBondContact O-OG 3Å; G138-G142 PolarHBondContact O-N 3.2Å; G138-F143 WeakPolarHBondContact O-CB 3.4Å; G138-F143 PolarHBondContact O-N 2.86Å
139	V	83	Confident	64.4	Low	12 Å²	12	51.2 Å²	51.2	7%	0.073	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-42.6	-178.7	178.3	0	0	0	0	110.7	R22 E24 Q25 D43 G142	R22-V139 VanDerWaalsContact CZ-CG2 3.49Å; E24-V139 HydrophobicContact CB-CG1 4.44Å; E24-V139 HydrophobicContact CB-CG2 4.14Å; E24-V139 HydrophobicContact CG-CG2 3.75Å; Q25-V139 HydrophobicContact CG-CG1 4.19Å; D43-V139 PolarHBondContact OD1-N 3.42Å; V139-G142 PolarHBondContact O-N 3.33Å; V139-G142 VanDerWaalsContact O-N 3.1Å
140	K	79.8	Confident	64.4	Low	119 Å²	119	54.3 Å²	54.3	52%	0.517	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-34.4	-178.6	-71.6	-171.5	179.9	-175.7	0	114.1	T67 D69 G138 G142	T67-K140 HydrophobicContact CG2-CD 3.5Å; T67-K140 VanDerWaalsContact CG2-CD 3.5Å; T67-K140 VanDerWaalsContact CG2-NZ 3.29Å; T67-K140 WeakPolarHBondContact OG1-CE 3.5Å; T67-K140 PolarHBondContact OG1-NZ 3.11Å; D69-K140 IonicContact OD1-NZ 3.83Å; D69-K140 PolarHBondContact OD1-NZ 3.39Å; D69-K140 WeakPolarHBondContact OD2-CE 3.32Å; D69-K140 IonicContact OD2-NZ 3.72Å; D69-K140 PolarHBondContact OD2-NZ 3.44Å; G138-K140 VanDerWaalsContact C-N 3.3Å; G138-K140 PolarHBondContact O-N 2.98Å; K140-G142 PolarHBondContact O-N 3.47Å
141	S	76.6	Confident	64.8	Low	70 Å²	70	57.5 Å²	57.5	49%	0.49	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	5.5	173.8	48.6	0	0	0	0	113.1	G137 G138 F143	G137-S141 VanDerWaalsContact CA-OG 3.27Å; G137-S141 WeakPolarHBondContact CA-OG 3.23Å; G138-S141 PolarHBondContact N-OG 3.13Å; G138-S141 PolarHBondContact O-N 3.01Å; G138-S141 PolarHBondContact O-OG 3Å; S141-F143 WeakPolarHBondContact OG-CD2 3.47Å
142	G	63.7	Low	65.7	Low	56 Å²	56	60.6 Å²	60.6	58%	0.577	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	7.1	175.9	0	0	0	0	0	114.4	G138 V139 K140 K144	G138-G142 PolarHBondContact O-N 3.2Å; V139-G142 PolarHBondContact O-N 3.33Å; V139-G142 VanDerWaalsContact O-N 3.1Å; K140-G142 PolarHBondContact O-N 3.47Å; G142-K144 PolarHBondContact O-N 2.95Å
143	F	61	Low	66.3	Low	81 Å²	81	62.6 Å²	62.6	36%	0.355	36%	0.358	S	S	.	.			trans	-76	98.3	175.9	-69.2	-98.1	0	0	0	109.3	R22 Y40 G138 S141	R22-F143 PolarHBondContact NH1-O 3.13Å; R22-F143 PolarHBondContact NH2-O 2.91Å; Y40-F143 HydrophobicContact CE1-CB 4.15Å; Y40-F143 HydrophobicContact CE1-CD1 4.42Å; Y40-F143 HydrophobicContact CE1-CG 4.47Å; G138-F143 WeakPolarHBondContact O-CB 3.4Å; G138-F143 PolarHBondContact O-N 2.86Å; S141-F143 WeakPolarHBondContact OG-CD2 3.47Å
144	K	54.8	Low	66.9	Low	105 Å²	105	62.4 Å²	62.4	46%	0.457	36%	0.357	S	S	.	.			trans	-110.7	152.3	166.3	-63.6	-170.9	176.7	-168.3	0	108.4	G142	G142-K144 PolarHBondContact O-N 2.95Å
145	R	48.7	Very low	67.1	Low	162 Å²	162	62.3 Å²	62.3	61%	0.611	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-14.6	129.9	177.2	-83.8	-178	175.9	168.8	2.4	115.1	P30 A147	P30-R145 PolarHBondContact O-NH2 3.34Å; R145-A147 VanDerWaalsContact C-N 3.33Å; R145-A147 PolarHBondContact O-N 3.41Å; R145-A147 VanDerWaalsContact O-N 3.17Å
146	G	40.2	Very low	67.3	Low	78 Å²	78	64.9 Å²	64.9	80%	0.804	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	1.2	149.8	0	0	0	0	0	117.7	L148	G146-L148 PolarHBondContact O-N 3.27Å
147	A	32.6	Very low	67.2	Low	74 Å²	74	60.8 Å²	60.8	61%	0.612	35%	0.347	S	S	*	.			trans	-75.9	85.7	152.3	0	0	0	0	0	106.7	R145 S149	R145-A147 VanDerWaalsContact C-N 3.33Å; R145-A147 PolarHBondContact O-N 3.41Å; R145-A147 VanDerWaalsContact O-N 3.17Å; A147-S149 PolarHBondContact O-N 2.91Å
148	L	39.9	Very low	66.8	Low	74 Å²	74	62.1 Å²	62.1	39%	0.387	35%	0.348	S	S	.	.			trans	-51.8	95.1	142.1	-83.5	158.3	0	0	0	103.2	G146 P150 A219	G146-L148 PolarHBondContact O-N 3.27Å; L148-P150 WeakPolarHBondContact O-CD 3.43Å; L148-A219 HydrophobicContact CD1-CB 4.26Å; L148-A219 WeakPolarHBondContact CD1-O 3.44Å; L148-A219 HydrophobicContact CD2-CB 4.13Å
149	S	41.5	Very low	65.9	Low	36 Å²	36	62.6 Å²	62.6	25%	0.252	35%	0.352	S	S	.	.			trans	-47.3	125	161.9	41.2	0	0	0	0	103.4	A147 N151	A147-S149 PolarHBondContact O-N 2.91Å; S149-N151 PolarHBondContact O-N 2.99Å
150	P	50.1	Low	64.8	Low	99 Å²	99	66.3 Å²	66.3	64%	0.643	37%	0.368	S	S	*	.	S	Bend	trans	-64	16.4	179.8	27.1	-34.6	0	0	0	112.1	L148	L148-P150 WeakPolarHBondContact O-CD 3.43Å
151	N	65.8	Low	63.5	Low	105 Å²	105	65.9 Å²	65.9	56%	0.561	36%	0.363	S	S	*	.	S	Bend	trans	-93.9	134.5	-175.3	-59.6	-17.8	0	0	0	107.3	S149	S149-N151 PolarHBondContact O-N 2.99Å
152	K	82.5	Confident	62.5	Low	75 Å²	75	66.5 Å²	66.5	33%	0.326	35%	0.354	S	S	.	.			trans	-58.9	147.3	174.3	-48.5	172.8	-167.3	170.7	0	109.4	L170 L183 D184 A185 Q242	K152-L170 HydrophobicContact CB-CD1 3.82Å; K152-L170 HydrophobicContact CB-CD2 3.81Å; K152-L170 HydrophobicContact CB-CG 4.49Å; K152-L183 HydrophobicContact CB-CD1 4.23Å; K152-D184 CarbonylContact C-O 3.48Å; K152-D184 WeakPolarHBondContact CA-O 3.42Å; K152-D184 WeakPolarHBondContact CB-O 3.4Å; K152-A185 HydrophobicContact CD-CB 4.14Å; K152-A185 HydrophobicContact CG-CB 4.12Å; K152-Q242 HydrophobicContact CD-CB 4.36Å
153	R	84.1	Confident	62.5	Low	43 Å²	43	64.8 Å²	64.8	16%	0.162	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.6	178.7	-64.8	176.7	-67.1	178.7	0.7	110	F155 L183 D184	R153-F155 HydrophobicContact CB-CD2 4.49Å; R153-F155 HydrophobicContact CB-CE2 3.69Å; R153-F155 HydrophobicContact CB-CZ 3.91Å; R153-L183 CarbonylContact O-C 3.53Å; R153-L183 WeakPolarHBondContact O-CA 3.15Å; R153-L183 WeakPolarHBondContact O-CD1 3.38Å; R153-D184 HydrophobicContact CB-CB 4.4Å; R153-D184 IonicContact CZ-OD2 3.92Å; R153-D184 PolarHBondContact N-O 3.44Å; R153-D184 IonicContact NE-OD2 3.27Å; R153-D184 PolarHBondContact NE-OD2 3.31Å; R153-D184 IonicContact NH2-OD2 3.16Å; R153-D184 PolarHBondContact NH2-OD2 3.43Å; R153-D184 PolarHBondContact O-N 3.17Å
154	L	88.3	Confident	62.8	Low	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.2	174.1	-174	64.2	0	0	0	109.1	Q167 V168 L170 L175 F181 L183 L243	L154-Q167 CarbonylContact O-C 3.58Å; L154-Q167 WeakPolarHBondContact O-CA 3.43Å; L154-V168 HydrophobicContact CB-CG2 3.94Å; L154-V168 HydrophobicContact CD2-CG2 3.71Å; L154-V168 HydrophobicContact CG-CG2 3.58Å; L154-V168 PolarHBondContact O-N 3.19Å; L154-L170 HydrophobicContact CB-CD1 4.17Å; L154-L175 HydrophobicContact CD2-CD2 4.13Å; L154-F181 HydrophobicContact CD1-CB 4.13Å; L154-F181 HydrophobicContact CD1-CD1 4.43Å; L154-F181 HydrophobicContact CD2-CD1 4.41Å; L154-F181 HydrophobicContact CG-CD1 4.36Å; L154-L183 HydrophobicContact CD1-CB 3.93Å; L154-L183 HydrophobicContact CD1-CD1 4.45Å; L154-L243 HydrophobicContact CD1-CD2 4.33Å; L154-L243 HydrophobicContact CD2-CD2 4.03Å
155	F	86.2	Confident	63.7	Low	3 Å²	3	59 Å²	59	1%	0.013	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.6	176.2	-58.4	-87.6	0	0	0	109.4	L135 R153 Q166 Q167 F181 V182 D184 F211 I215	L135-F155 HydrophobicContact CD2-CE1 3.95Å; L135-F155 HydrophobicContact CD2-CZ 4.48Å; R153-F155 HydrophobicContact CB-CD2 4.49Å; R153-F155 HydrophobicContact CB-CE2 3.69Å; R153-F155 HydrophobicContact CB-CZ 3.91Å; F155-Q166 CarbonylContact C-O 3.13Å; F155-Q166 VanDerWaalsContact CA-O 3.31Å; F155-Q166 WeakPolarHBondContact CA-O 3.27Å; F155-Q167 HydrophobicContact CD1-CB 4.02Å; F155-Q167 HydrophobicContact CE1-CB 3.96Å; F155-Q167 HydrophobicContact CE1-CG 4.3Å; F155-F181 CarbonylContact O-C 3.55Å; F155-F181 WeakPolarHBondContact O-CA 3.42Å; F155-V182 HydrophobicContact CB-CB 4.35Å; F155-V182 WeakPolarHBondContact CD2-O 3.32Å; F155-V182 PolarHBondContact N-O 3.37Å; F155-V182 PolarHBondContact O-N 2.86Å; F155-D184 HydrophobicContact CE2-CB 4.22Å; F155-F211 HydrophobicContact CB-CE1 3.89Å; F155-F211 HydrophobicContact CD1-CE1 4.03Å; F155-F211 HydrophobicContact CD1-CZ 4.06Å; F155-F211 AromaticContact CD2-CE1 3.69Å; F155-F211 HydrophobicContact CD2-CE1 3.69Å; F155-F211 HydrophobicContact CD2-CZ 4.23Å; F155-F211 HydrophobicContact CE1-CE1 4.5Å; F155-F211 HydrophobicContact CE1-CZ 4.18Å; F155-F211 HydrophobicContact CE2-CE1 4.19Å; F155-F211 HydrophobicContact CE2-CZ 4.34Å; F155-F211 AromaticContact CG-CE1 3.6Å; F155-F211 HydrophobicContact CG-CE1 3.6Å; F155-F211 HydrophobicContact CG-CZ 4.09Å; F155-F211 HydrophobicContact CZ-CZ 4.32Å; F155-I215 HydrophobicContact CD2-CD1 4.36Å; F155-I215 HydrophobicContact CE2-CD1 4.03Å
156	R	85.9	Confident	64.8	Low	65 Å²	65	54.2 Å²	54.2	25%	0.245	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.7	172.5	179.4	178.6	64	169	-1.1	109.2	Q166 V168 D179 F181	R156-Q166 PolarHBondContact N-O 3.23Å; R156-Q166 PolarHBondContact O-N 3.21Å; R156-V168 HydrophobicContact CB-CG1 3.76Å; R156-V168 HydrophobicContact CB-CG2 4.31Å; R156-D179 HydrophobicContact CG-CB 4.12Å; R156-F181 HydrophobicContact CB-CD1 3.92Å; R156-F181 HydrophobicContact CB-CE1 3.66Å; R156-F181 HydrophobicContact CB-CZ 4.38Å; R156-F181 HydrophobicContact CG-CD1 4.25Å; R156-F181 HydrophobicContact CG-CE1 3.66Å; R156-F181 HydrophobicContact CG-CZ 3.87Å
157	I	81.1	Confident	66.5	Low	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.4	174.4	-53.3	-176.4	0	0	0	108	C163 R164 M165 V180 V182 K204	I157-C163 HydrophobicContact CG2-CB 4.38Å; I157-R164 WeakPolarHBondContact CA-O 3.47Å; I157-M165 HydrophobicContact CD1-CE 4.13Å; I157-M165 HydrophobicContact CG1-CG 4.16Å; I157-V180 HydrophobicContact CB-CB 4.3Å; I157-V180 WeakPolarHBondContact CB-O 3.38Å; I157-V180 HydrophobicContact CD1-CG1 4.25Å; I157-V180 PolarHBondContact N-O 2.97Å; I157-V182 HydrophobicContact CD1-CG2 3.99Å; I157-K204 HydrophobicContact CG2-CB 4.09Å; I157-K204 HydrophobicContact CG2-CG 4.27Å
158	K	74.1	Confident	68.8	Low	46 Å²	46	49.4 Å²	49.4	20%	0.2	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.9	-179.7	-172.3	169.4	-179.7	76.3	0	111.3	C163 R164 D255	K158-C163 CarbonylContact O-C 3.5Å; K158-C163 VanDerWaalsContact O-CA 3.32Å; K158-C163 WeakPolarHBondContact O-CA 3.36Å; K158-R164 PolarHBondContact N-O 2.71Å; K158-R164 VanDerWaalsContact N-O 3.1Å; K158-R164 PolarHBondContact O-N 2.88Å; K158-D255 IonicContact NZ-OD1 3.89Å; K158-D255 PolarHBondContact NZ-OD1 3.49Å; K158-D255 IonicContact NZ-OD2 3.4Å; K158-D255 PolarHBondContact NZ-OD2 2.72Å; K158-D255 VanDerWaalsContact NZ-OD2 3.09Å
159	G	63.4	Low	70.8	Confident	11 Å²	11	49.9 Å²	49.9	11%	0.113	25%	0.245	C	C	.	.			trans	115.7	149.3	177.5	0	0	0	0	0	112.7	C163 K204	G159-C163 PolarHBondContact O-SG 2.98Å; G159-K204 WeakPolarHBondContact O-CE 3.15Å
160	K	59.6	Low	72.9	Confident	90 Å²	90	51.4 Å²	51.4	39%	0.391	25%	0.25	S	C	.	.	S	Bend	trans	-91	-64.1	177.9	-176.4	-175.5	179	-166.5	0	111.5	I200	K160-I200 HydrophobicContact CG-CG2 4.21Å
161	R	54.2	Low	74.6	Confident	111 Å²	111	48 Å²	48	42%	0.419	23%	0.228	S	C	.	.	S	Bend	trans	-88	-34.1	-179.2	-60	-175.8	-173.1	137.1	-18.3	112.3	E264 D387	R161-E264 IonicContact NH1-OE2 3.83Å; R161-D387 IonicContact CZ-OD2 2.72Å; R161-D387 VanDerWaalsContact CZ-OD2 3.27Å; R161-D387 IonicContact NE-OD1 3.19Å; R161-D387 IonicContact NE-OD2 3.24Å; R161-D387 PolarHBondContact NE-OD2 2.86Å; R161-D387 IonicContact NH2-OD1 3.61Å; R161-D387 IonicContact NH2-OD2 3.78Å; R161-D387 PolarHBondContact NH2-OD2 3.3Å
162	R	55.6	Low	75.8	Confident	83 Å²	83	43.2 Å²	43.2	31%	0.313	20%	0.203	S	C	.	.	S	Bend	trans	-121.3	84.3	-178.5	-60.9	177.1	-167.3	-161.4	13.2	109.1	E99 D101 L104	E99-R162 PolarHBondContact O-NH1 3.14Å; D101-R162 IonicContact OD1-CZ 2.89Å; D101-R162 IonicContact OD1-NE 2.83Å; D101-R162 PolarHBondContact OD1-NE 2.79Å; D101-R162 VanDerWaalsContact OD1-NE 3.16Å; D101-R162 IonicContact OD1-NH1 3.66Å; D101-R162 PolarHBondContact OD1-NH1 3.32Å; D101-R162 IonicContact OD1-NH2 3.09Å; D101-R162 PolarHBondContact OD1-NH2 3.04Å; D101-R162 IonicContact OD2-CZ 3.4Å; D101-R162 IonicContact OD2-NH1 3.67Å; D101-R162 IonicContact OD2-NH2 2.59Å; D101-R162 PolarHBondContact OD2-NH2 3.29Å; L104-R162 HydrophobicContact CD1-CB 4.35Å; L104-R162 HydrophobicContact CD1-CG 4.12Å
163	C	63	Low	76	Confident	19 Å²	19	45.9 Å²	45.9	13%	0.128	22%	0.217	C	C	.	.			trans	-69.2	134	177.8	-67.7	0	0	0	0	110	I157 K158 G159 L207	I157-C163 HydrophobicContact CG2-CB 4.38Å; K158-C163 CarbonylContact O-C 3.5Å; K158-C163 VanDerWaalsContact O-CA 3.32Å; K158-C163 WeakPolarHBondContact O-CA 3.36Å; G159-C163 PolarHBondContact O-SG 2.98Å; C163-L207 HydrophobicContact CB-CD1 3.43Å; C163-L207 VanDerWaalsContact CB-CD1 3.43Å; C163-L207 WeakPolarHBondContact SG-CD1 3.32Å
164	R	66.2	Low	76.2	Confident	61 Å²	61	45.3 Å²	45.3	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.3	176.9	-65.9	175.6	176.5	114.6	-0.8	109.2	G97 E99 Y134 I157 K158	G97-R164 VanDerWaalsContact C-NH2 3.32Å; G97-R164 PolarHBondContact O-NH1 3.44Å; G97-R164 VanDerWaalsContact O-NH1 3.16Å; G97-R164 PolarHBondContact O-NH2 2.93Å; E99-R164 IonicContact OE2-CZ 3.44Å; E99-R164 IonicContact OE2-NE 3.99Å; E99-R164 PolarHBondContact OE2-NE 2.89Å; E99-R164 IonicContact OE2-NH2 2.83Å; E99-R164 PolarHBondContact OE2-NH2 2.73Å; Y134-R164 HydrophobicContact CE2-CB 4.13Å; Y134-R164 HydrophobicContact CE2-CG 4.37Å; Y134-R164 WeakPolarHBondContact OH-CD 3.46Å; Y134-R164 PolarHBondContact OH-NE 3.42Å; I157-R164 WeakPolarHBondContact CA-O 3.47Å; K158-R164 PolarHBondContact N-O 2.71Å; K158-R164 VanDerWaalsContact N-O 3.1Å; K158-R164 PolarHBondContact O-N 2.88Å
165	M	75	Confident	76.3	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.6	177.3	-68.3	167.6	179.5	0	0	108	F131 V132 S133 Y134 I157 L207 F211	F131-M165 HydrophobicContact CD1-CE 3.76Å; F131-M165 HydrophobicContact CD1-SD 3.95Å; F131-M165 HydrophobicContact CE1-CE 3.77Å; F131-M165 HydrophobicContact CE1-SD 4.5Å; V132-M165 PolarHBondContact O-N 3.43Å; S133-M165 CarbonylContact C-O 3.47Å; S133-M165 VanDerWaalsContact CA-O 3.29Å; S133-M165 WeakPolarHBondContact CA-O 3.29Å; Y134-M165 PolarHBondContact N-O 3.29Å; I157-M165 HydrophobicContact CD1-CE 4.13Å; I157-M165 HydrophobicContact CG1-CG 4.16Å; M165-L207 HydrophobicContact CE-CB 4.49Å; M165-L207 HydrophobicContact CE-CD2 4.2Å; M165-F211 HydrophobicContact CE-CB 3.55Å; M165-F211 HydrophobicContact CE-CD1 4.48Å; M165-F211 HydrophobicContact CE-CD2 4.2Å; M165-F211 HydrophobicContact CE-CG 3.85Å; M165-F211 HydrophobicContact SD-CB 3.87Å; M165-F211 HydrophobicContact SD-CD1 3.94Å; M165-F211 HydrophobicContact SD-CD2 3.37Å; M165-F211 WeakPolarHBondContact SD-CD2 3.5Å; M165-F211 HydrophobicContact SD-CE1 4.31Å; M165-F211 HydrophobicContact SD-CE2 3.78Å; M165-F211 HydrophobicContact SD-CG 3.45Å; M165-F211 WeakPolarHBondContact SD-CG 3.24Å; M165-F211 HydrophobicContact SD-CZ 4.23Å
166	Q	72	Confident	76.4	Confident	60 Å²	60	45.9 Å²	45.9	28%	0.28	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.8	-178.4	-173.8	-178.3	3.2	0	0	109.6	Y134 F155 R156 V168	Y134-Q166 HydrophobicContact CD2-CB 4.31Å; Y134-Q166 HydrophobicContact CD2-CG 4.38Å; F155-Q166 CarbonylContact C-O 3.13Å; F155-Q166 VanDerWaalsContact CA-O 3.31Å; F155-Q166 WeakPolarHBondContact CA-O 3.27Å; R156-Q166 PolarHBondContact N-O 3.23Å; R156-Q166 PolarHBondContact O-N 3.21Å; Q166-V168 PolarHBondContact O-N 2.8Å
167	Q	75.2	Confident	76.5	Confident	31 Å²	31	43.5 Å²	43.5	15%	0.145	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.3	166.8	-173.5	175.7	-26.2	0	0	109.3	Y134 L154 F155	Y134-Q167 VanDerWaalsContact O-CB 3.25Å; Y134-Q167 WeakPolarHBondContact O-CB 3.31Å; Y134-Q167 PolarHBondContact O-N 2.9Å; L154-Q167 CarbonylContact O-C 3.58Å; L154-Q167 WeakPolarHBondContact O-CA 3.43Å; F155-Q167 HydrophobicContact CD1-CB 4.02Å; F155-Q167 HydrophobicContact CE1-CB 3.96Å; F155-Q167 HydrophobicContact CE1-CG 4.3Å
168	V	80.4	Confident	76.5	Confident	21 Å²	21	43.6 Å²	43.6	13%	0.127	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	165.4	179.9	-65.9	0	0	0	0	110	L154 R156 Q166 L170	L154-V168 HydrophobicContact CB-CG2 3.94Å; L154-V168 HydrophobicContact CD2-CG2 3.71Å; L154-V168 HydrophobicContact CG-CG2 3.58Å; L154-V168 PolarHBondContact O-N 3.19Å; R156-V168 HydrophobicContact CB-CG1 3.76Å; R156-V168 HydrophobicContact CB-CG2 4.31Å; Q166-V168 PolarHBondContact O-N 2.8Å; V168-L170 PolarHBondContact O-N 3.42Å
169	C	82.1	Confident	77	Confident	83 Å²	83	41.4 Å²	41.4	56%	0.561	21%	0.206	S	C	*	.			trans	-55	133.9	176.8	-173.7	0	0	0	0	110.5	S171 S174	C169-S171 PolarHBondContact O-N 2.85Å; C169-S174 WeakPolarHBondContact O-CB 3.46Å; C169-S174 PolarHBondContact O-OG 3.24Å
170	L	85.7	Confident	78.2	Confident	68 Å²	68	40.9 Å²	40.9	36%	0.356	20%	0.201	S	C	.	.	S	Bend	trans	-71.6	71.7	177	-173.6	77.2	0	0	0	110.4	K152 L154 V168 L183 L243	K152-L170 HydrophobicContact CB-CD1 3.82Å; K152-L170 HydrophobicContact CB-CD2 3.81Å; K152-L170 HydrophobicContact CB-CG 4.49Å; L154-L170 HydrophobicContact CB-CD1 4.17Å; V168-L170 PolarHBondContact O-N 3.42Å; L170-L183 HydrophobicContact CD1-CD1 3.41Å; L170-L183 VanDerWaalsContact CD1-CD1 3.41Å; L170-L243 HydrophobicContact CD1-CD2 3.77Å; L170-L243 HydrophobicContact CG-CD2 4.26Å
171	S	86.2	Confident	79.7	Confident	28 Å²	28	36.6 Å²	36.6	20%	0.196	18%	0.182	C	C	.	.	S	Bend	trans	-149.7	145.2	-177.7	173.2	0	0	0	0	109.9	C169 E173 S174	C169-S171 PolarHBondContact O-N 2.85Å; S171-E173 PolarHBondContact O-N 2.71Å; S171-E173 WeakPolarHBondContact OG-CB 3.18Å; S171-E173 PolarHBondContact OG-N 2.8Å; S171-E173 VanDerWaalsContact OG-N 3.14Å; S171-S174 WeakPolarHBondContact O-CB 3.13Å; S171-S174 PolarHBondContact O-N 3.1Å
172	A	90.1	Very high	81.4	Confident	4 Å²	4	31.3 Å²	31.3	3%	0.033	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64.6	-16	173	0	0	0	0	0	112.9	S174 L175 L243 A245 Y249	A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 2.97Å; A172-L175 HydrophobicContact CB-CD1 4.45Å; A172-L175 WeakPolarHBondContact O-CB 3.49Å; A172-L175 PolarHBondContact O-N 2.85Å; A172-L243 HydrophobicContact CB-CB 4.37Å; A172-L243 HydrophobicContact CB-CD1 4.38Å; A172-A245 HydrophobicContact CB-CB 3.56Å; A172-Y249 HydrophobicContact CB-CD1 3.85Å; A172-Y249 HydrophobicContact CB-CE1 3.53Å; A172-Y249 HydrophobicContact CB-CE2 4.24Å; A172-Y249 HydrophobicContact CB-CG 4.31Å; A172-Y249 PolarHBondContact O-OH 2.94Å
173	E	88.2	Confident	83.1	Confident	132 Å²	132	27.4 Å²	27.4	62%	0.617	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-70.2	-21.5	172.1	-63	-178.1	172.3	0	0	112.9	S171 L175 K253	S171-E173 PolarHBondContact O-N 2.71Å; S171-E173 WeakPolarHBondContact OG-CB 3.18Å; S171-E173 PolarHBondContact OG-N 2.8Å; S171-E173 VanDerWaalsContact OG-N 3.14Å; E173-L175 PolarHBondContact O-N 3.37Å; E173-K253 WeakPolarHBondContact O-CE 3.37Å; E173-K253 PolarHBondContact O-NZ 3.43Å
174	S	86.9	Confident	84.3	Confident	31 Å²	31	26.6 Å²	26.6	22%	0.217	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-73.1	-16.8	176.5	-60.6	0	0	0	0	112.9	C169 S171 A172 F181	C169-S174 WeakPolarHBondContact O-CB 3.46Å; C169-S174 PolarHBondContact O-OG 3.24Å; S171-S174 WeakPolarHBondContact O-CB 3.13Å; S171-S174 PolarHBondContact O-N 3.1Å; A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 2.97Å; S174-F181 WeakPolarHBondContact O-CE1 3.36Å; S174-F181 WeakPolarHBondContact O-CZ 3.4Å
175	L	91	Very high	85.4	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	14%	0.135	C	C	.	.			trans	-77.1	146.9	-174.7	-56	178.7	0	0	0	112.2	L154 A172 E173 F181 W192 F239 F240 L243 V251	L154-L175 HydrophobicContact CD2-CD2 4.13Å; A172-L175 HydrophobicContact CB-CD1 4.45Å; A172-L175 WeakPolarHBondContact O-CB 3.49Å; A172-L175 PolarHBondContact O-N 2.85Å; E173-L175 PolarHBondContact O-N 3.37Å; L175-F181 HydrophobicContact CD2-CB 3.99Å; L175-F181 HydrophobicContact CD2-CD1 3.59Å; L175-F181 HydrophobicContact CD2-CD2 3.86Å; L175-F181 HydrophobicContact CD2-CE1 3.96Å; L175-F181 HydrophobicContact CD2-CE2 4.21Å; L175-F181 HydrophobicContact CD2-CG 3.53Å; L175-F181 HydrophobicContact CD2-CZ 4.26Å; L175-W192 HydrophobicContact CB-CZ3 4.36Å; L175-W192 HydrophobicContact CD2-CE3 4.33Å; L175-F239 HydrophobicContact CD1-CE1 3.72Å; L175-F239 HydrophobicContact CD1-CZ 4.06Å; L175-F239 HydrophobicContact CD2-CZ 4.08Å; L175-F240 HydrophobicContact CD1-CD1 4.42Å; L175-F240 HydrophobicContact CD1-CE1 3.89Å; L175-L243 HydrophobicContact CD1-CD1 3.85Å; L175-L243 HydrophobicContact CD2-CD1 4.48Å; L175-L243 HydrophobicContact CG-CD1 4.38Å; L175-V251 HydrophobicContact CB-CG1 3.98Å; L175-V251 HydrophobicContact CB-CG2 3.81Å; L175-V251 HydrophobicContact CD1-CG2 3.82Å; L175-V251 HydrophobicContact CG-CG2 4.49Å
176	N	89.2	Confident	85.8	Confident	13 Å²	13	27.2 Å²	27.2	7%	0.07	15%	0.151	C	C	.	.			trans	-140.6	160.3	169.1	73.1	65.2	0	0	0	109.7	G178 D179 W192 K253	N176-G178 VanDerWaalsContact C-N 3.34Å; N176-G178 PolarHBondContact O-N 3.36Å; N176-G178 WeakPolarHBondContact OD1-CA 3.13Å; N176-G178 PolarHBondContact OD1-N 2.64Å; N176-D179 PolarHBondContact ND2-OD2 2.89Å; N176-D179 PolarHBondContact OD1-N 3.25Å; N176-W192 VanDerWaalsContact O-CZ3 3.25Å; N176-W192 WeakPolarHBondContact O-CZ3 3.37Å; N176-K253 CarbonylContact C-O 3.53Å; N176-K253 VanDerWaalsContact CA-O 3.3Å; N176-K253 WeakPolarHBondContact CA-O 3.34Å; N176-K253 HydrophobicContact CB-CB 4.02Å
177	N	87.5	Confident	86.4	Confident	15 Å²	15	31 Å²	31	8%	0.08	17%	0.169	C	C	.	.	S	Bend	trans	-78.9	-8.9	-176.9	-74.2	-46.1	0	0	0	114.3	G194 R195 D196 C197 V251 K253	N177-G194 CarbonylContact O-C 3.45Å; N177-G194 VanDerWaalsContact O-CA 3.26Å; N177-G194 WeakPolarHBondContact O-CA 3.49Å; N177-R195 HydrophobicContact CB-CB 4.38Å; N177-R195 PolarHBondContact O-N 3.37Å; N177-D196 HydrophobicContact CB-CB 4.13Å; N177-D196 VanDerWaalsContact CB-OD2 3.24Å; N177-D196 WeakPolarHBondContact CB-OD2 3.49Å; N177-D196 CarbonylContact O-C 3.01Å; N177-D196 VanDerWaalsContact O-C 3.22Å; N177-D196 WeakPolarHBondContact O-CA 3.23Å; N177-D196 WeakPolarHBondContact O-CB 3.4Å; N177-D196 PolarHBondContact O-N 3.25Å; N177-C197 PolarHBondContact O-N 2.59Å; N177-V251 PolarHBondContact ND2-O 2.6Å; N177-K253 PolarHBondContact N-O 2.96Å
178	G	81.3	Confident	87.1	Confident	2 Å²	2	31.4 Å²	31.4	2%	0.021	17%	0.172	C	C	.	.	S	Bend	trans	-95.9	-17.1	-178.9	0	0	0	0	0	115.7	N176 C197	N176-G178 VanDerWaalsContact C-N 3.34Å; N176-G178 PolarHBondContact O-N 3.36Å; N176-G178 WeakPolarHBondContact OD1-CA 3.13Å; N176-G178 PolarHBondContact OD1-N 2.64Å; G178-C197 WeakPolarHBondContact O-CA 3.41Å; G178-C197 WeakPolarHBondContact O-CB 3.33Å
179	D	84.7	Confident	87.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-106.9	165.8	-177.3	-70.1	-41.3	0	0	0	113.1	R156 N176 F181 G194 K204	R156-D179 HydrophobicContact CG-CB 4.12Å; N176-D179 PolarHBondContact ND2-OD2 2.89Å; N176-D179 PolarHBondContact OD1-N 3.25Å; D179-F181 HydrophobicContact CB-CD2 4.43Å; D179-F181 HydrophobicContact CB-CE2 3.73Å; D179-F181 HydrophobicContact CB-CZ 4.14Å; D179-G194 PolarHBondContact O-N 2.82Å; D179-K204 IonicContact OD1-NZ 3.06Å; D179-K204 PolarHBondContact OD1-NZ 2.76Å
180	V	87.2	Confident	88	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.5	171	177.3	0	0	0	0	108.7	I157 V191 K204 V205	I157-V180 HydrophobicContact CB-CB 4.3Å; I157-V180 WeakPolarHBondContact CB-O 3.38Å; I157-V180 HydrophobicContact CD1-CG1 4.25Å; I157-V180 PolarHBondContact N-O 2.97Å; V180-V191 HydrophobicContact CG1-CG1 3.83Å; V180-K204 HydrophobicContact CB-CB 4.23Å; V180-K204 HydrophobicContact CG2-CB 3.73Å; V180-V205 HydrophobicContact CG2-CB 4.49Å; V180-V205 HydrophobicContact CG2-CG2 3.71Å
181	F	91.2	Very high	88.3	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.2	-178.9	-66.5	-99.4	0	0	0	110.9	L154 F155 R156 S174 L175 D179 V191 W192	L154-F181 HydrophobicContact CD1-CB 4.13Å; L154-F181 HydrophobicContact CD1-CD1 4.43Å; L154-F181 HydrophobicContact CD2-CD1 4.41Å; L154-F181 HydrophobicContact CG-CD1 4.36Å; F155-F181 CarbonylContact O-C 3.55Å; F155-F181 WeakPolarHBondContact O-CA 3.42Å; R156-F181 HydrophobicContact CB-CD1 3.92Å; R156-F181 HydrophobicContact CB-CE1 3.66Å; R156-F181 HydrophobicContact CB-CZ 4.38Å; R156-F181 HydrophobicContact CG-CD1 4.25Å; R156-F181 HydrophobicContact CG-CE1 3.66Å; R156-F181 HydrophobicContact CG-CZ 3.87Å; S174-F181 WeakPolarHBondContact O-CE1 3.36Å; S174-F181 WeakPolarHBondContact O-CZ 3.4Å; L175-F181 HydrophobicContact CD2-CB 3.99Å; L175-F181 HydrophobicContact CD2-CD1 3.59Å; L175-F181 HydrophobicContact CD2-CD2 3.86Å; L175-F181 HydrophobicContact CD2-CE1 3.96Å; L175-F181 HydrophobicContact CD2-CE2 4.21Å; L175-F181 HydrophobicContact CD2-CG 3.53Å; L175-F181 HydrophobicContact CD2-CZ 4.26Å; D179-F181 HydrophobicContact CB-CD2 4.43Å; D179-F181 HydrophobicContact CB-CE2 3.73Å; D179-F181 HydrophobicContact CB-CZ 4.14Å; F181-V191 CarbonylContact O-C 3.48Å; F181-V191 WeakPolarHBondContact O-CA 3.49Å; F181-W192 HydrophobicContact CB-CE3 4.4Å; F181-W192 AromaticContact CD2-CE3 3.66Å; F181-W192 HydrophobicContact CD2-CE3 3.66Å; F181-W192 AromaticContact CD2-CZ3 3.78Å; F181-W192 HydrophobicContact CD2-CZ3 3.78Å; F181-W192 HydrophobicContact CE2-CE3 4.39Å; F181-W192 HydrophobicContact CE2-CZ3 4.05Å; F181-W192 HydrophobicContact CG-CE3 4.38Å; F181-W192 PolarHBondContact N-O 2.84Å; F181-W192 PolarHBondContact O-N 3.09Å
182	V	90.5	Very high	88.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.9	174.8	-177.6	0	0	0	0	108.7	F155 I157 I189 Y190 V191 F211 A212 I215	F155-V182 HydrophobicContact CB-CB 4.35Å; F155-V182 WeakPolarHBondContact CD2-O 3.32Å; F155-V182 PolarHBondContact N-O 3.37Å; F155-V182 PolarHBondContact O-N 2.86Å; I157-V182 HydrophobicContact CD1-CG2 3.99Å; V182-I189 HydrophobicContact CG1-CG2 3.78Å; V182-Y190 CarbonylContact C-O 3.56Å; V182-Y190 VanDerWaalsContact CA-O 3.3Å; V182-Y190 WeakPolarHBondContact CA-O 3.46Å; V182-V191 HydrophobicContact CG2-CG1 4.46Å; V182-V191 HydrophobicContact CG2-CG2 4.3Å; V182-F211 HydrophobicContact CB-CD1 4Å; V182-F211 HydrophobicContact CB-CE1 4.37Å; V182-F211 HydrophobicContact CG1-CD1 4.01Å; V182-F211 HydrophobicContact CG1-CE1 4.41Å; V182-F211 HydrophobicContact CG2-CD1 4.02Å; V182-A212 HydrophobicContact CG1-CB 4.22Å; V182-I215 HydrophobicContact CG1-CD1 4.26Å
183	L	92.2	Very high	88.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.3	175.4	172.7	59.9	0	0	0	109.4	K152 R153 L154 L170 A185 I189 Y190 F239 Q242 L243	K152-L183 HydrophobicContact CB-CD1 4.23Å; R153-L183 CarbonylContact O-C 3.53Å; R153-L183 WeakPolarHBondContact O-CA 3.15Å; R153-L183 WeakPolarHBondContact O-CD1 3.38Å; L154-L183 HydrophobicContact CD1-CB 3.93Å; L154-L183 HydrophobicContact CD1-CD1 4.45Å; L170-L183 HydrophobicContact CD1-CD1 3.41Å; L170-L183 VanDerWaalsContact CD1-CD1 3.41Å; L183-A185 HydrophobicContact CG-CB 4.33Å; L183-A185 PolarHBondContact O-N 2.83Å; L183-I189 CarbonylContact O-C 3.59Å; L183-I189 VanDerWaalsContact O-CA 3.29Å; L183-I189 WeakPolarHBondContact O-CA 2.9Å; L183-Y190 HydrophobicContact CB-CD2 4.36Å; L183-Y190 HydrophobicContact CD2-CD2 3.98Å; L183-Y190 HydrophobicContact CG-CD2 4.16Å; L183-Y190 PolarHBondContact N-O 3.16Å; L183-Y190 PolarHBondContact O-N 3.47Å; L183-F239 HydrophobicContact CB-CD2 4.09Å; L183-F239 HydrophobicContact CB-CE2 3.77Å; L183-F239 HydrophobicContact CD2-CD2 3.62Å; L183-F239 HydrophobicContact CD2-CE2 3.88Å; L183-F239 HydrophobicContact CG-CE2 4.5Å; L183-Q242 HydrophobicContact CD2-CB 3.58Å; L183-Q242 HydrophobicContact CD2-CG 4.3Å; L183-L243 HydrophobicContact CD1-CD2 4.1Å; L183-L243 HydrophobicContact CD2-CD2 3.98Å; L183-L243 HydrophobicContact CD2-CG 4.12Å
184	D	88.1	Confident	88.5	Confident	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	105.2	168	176.9	8.6	0	0	0	109	K152 R153 F155 L186 I215 H220	K152-D184 CarbonylContact C-O 3.48Å; K152-D184 WeakPolarHBondContact CA-O 3.42Å; K152-D184 WeakPolarHBondContact CB-O 3.4Å; R153-D184 HydrophobicContact CB-CB 4.4Å; R153-D184 IonicContact CZ-OD2 3.92Å; R153-D184 PolarHBondContact N-O 3.44Å; R153-D184 IonicContact NE-OD2 3.27Å; R153-D184 PolarHBondContact NE-OD2 3.31Å; R153-D184 IonicContact NH2-OD2 3.16Å; R153-D184 PolarHBondContact NH2-OD2 3.43Å; R153-D184 PolarHBondContact O-N 3.17Å; F155-D184 HydrophobicContact CE2-CB 4.22Å; D184-L186 PolarHBondContact OD1-N 2.8Å; D184-I215 HydrophobicContact CB-CD1 4.36Å; D184-I215 HydrophobicContact CB-CG2 4.22Å; D184-H220 IonicContact OD1-CD2 2.68Å; D184-H220 IonicContact OD1-CE1 2.68Å; D184-H220 PolarHBondContact OD1-CE1 2.9Å; D184-H220 IonicContact OD1-NE2 2.74Å; D184-H220 PolarHBondContact OD1-NE2 2.96Å; D184-H220 IonicContact OD2-CE1 3.7Å; D184-H220 IonicContact OD2-NE2 2.65Å
185	A	89.4	Confident	88.3	Confident	10 Å²	10	23.3 Å²	23.3	8%	0.083	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	45.3	176.5	0	0	0	0	0	111.5	K152 L183 E187 N188 Y190 Q242	K152-A185 HydrophobicContact CD-CB 4.14Å; K152-A185 HydrophobicContact CG-CB 4.12Å; L183-A185 HydrophobicContact CG-CB 4.33Å; L183-A185 PolarHBondContact O-N 2.83Å; A185-E187 PolarHBondContact O-N 3.31Å; A185-N188 CarbonylContact C-O 3.45Å; A185-N188 WeakPolarHBondContact CA-O 3.32Å; A185-N188 WeakPolarHBondContact CB-O 3.12Å; A185-N188 PolarHBondContact N-O 3.13Å; A185-N188 PolarHBondContact O-N 2.87Å; A185-Y190 HydrophobicContact CB-CD2 4.4Å; A185-Y190 HydrophobicContact CB-CE2 4.04Å; A185-Q242 HydrophobicContact CB-CG 4.25Å
186	L	82.5	Confident	87.5	Confident	68 Å²	68	27.1 Å²	27.1	36%	0.356	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-97.7	175.8	-53.7	172.3	0	0	0	112.8	D184 N188 H220 A224	D184-L186 PolarHBondContact OD1-N 2.8Å; L186-N188 PolarHBondContact O-N 3.42Å; L186-H220 PolarHBondContact O-CD2 3.4Å; L186-A224 WeakPolarHBondContact O-CB 3.34Å
187	E	85.6	Confident	86.7	Confident	141 Å²	141	27.6 Å²	27.6	66%	0.659	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.1	-179.7	-63.1	-172.9	175.8	0	0	112.9	A185 A224 L225	A185-E187 PolarHBondContact O-N 3.31Å; E187-A224 CarbonylContact O-C 3.49Å; E187-A224 WeakPolarHBondContact O-CA 3.43Å; E187-L225 PolarHBondContact O-N 3.05Å
188	N	89.9	Confident	85.2	Confident	38 Å²	38	29.4 Å²	29.4	20%	0.203	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.4	178.3	-61.3	-82.1	0	0	0	109.6	A185 L186 Y190 L225 H227	A185-N188 CarbonylContact C-O 3.45Å; A185-N188 WeakPolarHBondContact CA-O 3.32Å; A185-N188 WeakPolarHBondContact CB-O 3.12Å; A185-N188 PolarHBondContact N-O 3.13Å; A185-N188 PolarHBondContact O-N 2.87Å; L186-N188 PolarHBondContact O-N 3.42Å; N188-Y190 HydrophobicContact CB-CD2 4.49Å; N188-Y190 HydrophobicContact CB-CE2 3.66Å; N188-L225 CarbonylContact C-O 3.44Å; N188-L225 WeakPolarHBondContact CA-O 3.39Å; N188-H227 PolarHBondContact OD1-NE2 2.81Å
189	I	89.3	Confident	83.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	171.6	-53.4	169.2	0	0	0	106.4	V182 L183 A212 I215 R216 A224 L225 I226 H227	V182-I189 HydrophobicContact CG1-CG2 3.78Å; L183-I189 CarbonylContact O-C 3.59Å; L183-I189 VanDerWaalsContact O-CA 3.29Å; L183-I189 WeakPolarHBondContact O-CA 2.9Å; I189-A212 HydrophobicContact CB-CB 4.46Å; I189-A212 WeakPolarHBondContact CD1-O 3.4Å; I189-A212 HydrophobicContact CG2-CB 3.58Å; I189-I215 HydrophobicContact CD1-CB 3.97Å; I189-I215 HydrophobicContact CD1-CG2 3.73Å; I189-I215 HydrophobicContact CG1-CG2 4.35Å; I189-R216 HydrophobicContact CD1-CB 3.78Å; I189-A224 HydrophobicContact CD1-CB 3.9Å; I189-A224 HydrophobicContact CG1-CB 4Å; I189-L225 PolarHBondContact N-O 3.17Å; I189-I226 HydrophobicContact CB-CG1 4.38Å; I189-I226 HydrophobicContact CD1-CG1 4.35Å; I189-I226 CarbonylContact O-C 3.51Å; I189-I226 WeakPolarHBondContact O-CA 3.28Å; I189-H227 PolarHBondContact O-N 3.13Å
190	Y	92.4	Very high	82.1	Confident	16 Å²	16	44 Å²	44	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.7	-179	-54.9	-91.1	0	0	0	110	V182 L183 A185 N188 H227 L229 F239 Q242	V182-Y190 CarbonylContact C-O 3.56Å; V182-Y190 VanDerWaalsContact CA-O 3.3Å; V182-Y190 WeakPolarHBondContact CA-O 3.46Å; L183-Y190 HydrophobicContact CB-CD2 4.36Å; L183-Y190 HydrophobicContact CD2-CD2 3.98Å; L183-Y190 HydrophobicContact CG-CD2 4.16Å; L183-Y190 PolarHBondContact N-O 3.16Å; L183-Y190 PolarHBondContact O-N 3.47Å; A185-Y190 HydrophobicContact CB-CD2 4.4Å; A185-Y190 HydrophobicContact CB-CE2 4.04Å; N188-Y190 HydrophobicContact CB-CD2 4.49Å; N188-Y190 HydrophobicContact CB-CE2 3.66Å; Y190-H227 CarbonylContact C-O 3.04Å; Y190-H227 WeakPolarHBondContact CA-O 3.38Å; Y190-H227 HydrophobicContact CD1-CB 3.56Å; Y190-H227 AromaticContact CD1-CD2 3.96Å; Y190-H227 AromaticContact CD1-CG 3.85Å; Y190-H227 HydrophobicContact CE1-CB 4.01Å; Y190-H227 AromaticContact CE1-CD2 3.72Å; Y190-H227 AromaticContact CE1-CG 3.78Å; Y190-H227 HydrophobicContact CG-CB 4.41Å; Y190-L229 HydrophobicContact CD1-CD1 3.82Å; Y190-L229 HydrophobicContact CD1-CG 4.45Å; Y190-L229 HydrophobicContact CG-CD1 4.33Å; Y190-F239 HydrophobicContact CD1-CB 4.21Å; Y190-F239 HydrophobicContact CD2-CD2 4.48Å; Y190-F239 HydrophobicContact CG-CB 4.31Å; Y190-F239 HydrophobicContact CG-CD2 4.05Å; Y190-Q242 HydrophobicContact CE2-CG 3.81Å
191	V	91.2	Very high	80.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.8	170.4	-175.5	0	0	0	0	107.3	V180 F181 V182 I209 A212 I226 H227 L229	V180-V191 HydrophobicContact CG1-CG1 3.83Å; F181-V191 CarbonylContact O-C 3.48Å; F181-V191 WeakPolarHBondContact O-CA 3.49Å; V182-V191 HydrophobicContact CG2-CG1 4.46Å; V182-V191 HydrophobicContact CG2-CG2 4.3Å; V191-I209 HydrophobicContact CG1-CG1 4.29Å; V191-I209 HydrophobicContact CG2-CG1 4.4Å; V191-A212 HydrophobicContact CG2-CB 3.72Å; V191-I226 HydrophobicContact CG2-CG2 4.22Å; V191-H227 PolarHBondContact N-O 2.91Å; V191-L229 PolarHBondContact O-N 2.82Å
192	W	92.3	Very high	79.2	Confident	2 Å²	2	48 Å²	48	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.8	-179.4	-177.4	86.8	0	0	0	111.1	L175 N176 F181 L229 A231 F239 V251	L175-W192 HydrophobicContact CB-CZ3 4.36Å; L175-W192 HydrophobicContact CD2-CE3 4.33Å; N176-W192 VanDerWaalsContact O-CZ3 3.25Å; N176-W192 WeakPolarHBondContact O-CZ3 3.37Å; F181-W192 HydrophobicContact CB-CE3 4.4Å; F181-W192 AromaticContact CD2-CE3 3.66Å; F181-W192 HydrophobicContact CD2-CE3 3.66Å; F181-W192 AromaticContact CD2-CZ3 3.78Å; F181-W192 HydrophobicContact CD2-CZ3 3.78Å; F181-W192 HydrophobicContact CE2-CE3 4.39Å; F181-W192 HydrophobicContact CE2-CZ3 4.05Å; F181-W192 HydrophobicContact CG-CE3 4.38Å; F181-W192 PolarHBondContact N-O 2.84Å; F181-W192 PolarHBondContact O-N 3.09Å; W192-L229 HydrophobicContact CB-CB 4.42Å; W192-A231 HydrophobicContact CH2-CB 4.34Å; W192-A231 HydrophobicContact CZ2-CB 3.6Å; W192-F239 HydrophobicContact CB-CD1 4.47Å; W192-F239 HydrophobicContact CB-CD2 4.45Å; W192-F239 HydrophobicContact CB-CE1 3.87Å; W192-F239 HydrophobicContact CB-CE2 3.84Å; W192-F239 HydrophobicContact CB-CZ 3.51Å; W192-F239 AromaticContact CD1-CD1 3.95Å; W192-F239 AromaticContact CD1-CE1 3.71Å; W192-F239 HydrophobicContact CD2-CE1 4.17Å; W192-F239 HydrophobicContact CD2-CZ 4.36Å; W192-F239 HydrophobicContact CG-CD1 4.26Å; W192-F239 AromaticContact CG-CE1 3.63Å; W192-F239 HydrophobicContact CG-CE1 3.63Å; W192-F239 AromaticContact CG-CZ 3.77Å; W192-F239 HydrophobicContact CG-CZ 3.77Å; W192-V251 HydrophobicContact CH2-CB 4.01Å; W192-V251 HydrophobicContact CH2-CG1 4.06Å; W192-V251 HydrophobicContact CH2-CG2 3.71Å; W192-V251 HydrophobicContact CZ2-CB 4.2Å; W192-V251 HydrophobicContact CZ2-CG2 3.67Å
193	C	88.7	Confident	77.9	Confident	8 Å²	8	49.3 Å²	49.3	5%	0.054	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.6	-178.8	-49.9	0	0	0	0	109.4	V205 L229 A231	C193-V205 HydrophobicContact CB-CG2 4.27Å; C193-L229 PolarHBondContact N-O 3.41Å; C193-L229 PolarHBondContact SG-O 3.34Å; C193-A231 WeakPolarHBondContact O-CB 3.44Å; C193-A231 PolarHBondContact O-N 3.42Å
194	G	87.2	Confident	77	Confident	3 Å²	3	49.4 Å²	49.4	3%	0.031	23%	0.234	C	C	.	.			trans	-60.1	149	173.8	0	0	0	0	0	112.3	N177 D179 D196 C197	N177-G194 CarbonylContact O-C 3.45Å; N177-G194 VanDerWaalsContact O-CA 3.26Å; N177-G194 WeakPolarHBondContact O-CA 3.49Å; D179-G194 PolarHBondContact O-N 2.82Å; G194-D196 PolarHBondContact O-N 3.38Å; G194-C197 PolarHBondContact O-N 2.73Å; G194-C197 PolarHBondContact O-SG 3.49Å
195	R	82.9	Confident	76.4	Confident	169 Å²	169	49.5 Å²	49.5	64%	0.638	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.5	-175.1	179.6	-177.2	-67	175.4	0.5	113.3	N177 A231	N177-R195 HydrophobicContact CB-CB 4.38Å; N177-R195 PolarHBondContact O-N 3.37Å; R195-A231 HydrophobicContact CB-CB 3.94Å
196	D	74.9	Confident	75.6	Confident	82 Å²	82	49.3 Å²	49.3	44%	0.439	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	11.4	-172.7	-52.3	-39.1	0	0	0	111.9	N177 G194 S198	N177-D196 HydrophobicContact CB-CB 4.13Å; N177-D196 VanDerWaalsContact CB-OD2 3.24Å; N177-D196 WeakPolarHBondContact CB-OD2 3.49Å; N177-D196 CarbonylContact O-C 3.01Å; N177-D196 VanDerWaalsContact O-C 3.22Å; N177-D196 WeakPolarHBondContact O-CA 3.23Å; N177-D196 WeakPolarHBondContact O-CB 3.4Å; N177-D196 PolarHBondContact O-N 3.25Å; G194-D196 PolarHBondContact O-N 3.38Å; D196-S198 PolarHBondContact O-N 3.19Å
197	C	70.9	Confident	75	Confident	23 Å²	23	46.1 Å²	46.1	16%	0.155	22%	0.215	C	C	.	.			trans	-60.4	104.8	170	71.9	0	0	0	0	107.1	N177 G178 G194 E201	N177-C197 PolarHBondContact O-N 2.59Å; G178-C197 WeakPolarHBondContact O-CA 3.41Å; G178-C197 WeakPolarHBondContact O-CB 3.33Å; G194-C197 PolarHBondContact O-N 2.73Å; G194-C197 PolarHBondContact O-SG 3.49Å; C197-E201 HydrophobicContact CB-CB 4.29Å
198	S	56	Low	74.7	Confident	53 Å²	53	39.4 Å²	39.4	37%	0.371	18%	0.184	S	C	.	.			trans	-54.5	160.5	-166.4	66.5	0	0	0	0	112.1	D196 I200 E201 R202	D196-S198 PolarHBondContact O-N 3.19Å; S198-I200 PolarHBondContact O-N 2.98Å; S198-E201 WeakPolarHBondContact CA-OE2 3.46Å; S198-E201 WeakPolarHBondContact CB-OE2 3.44Å; S198-E201 PolarHBondContact N-OE2 3.02Å; S198-E201 WeakPolarHBondContact O-CA 3.35Å; S198-E201 WeakPolarHBondContact O-CB 3.46Å; S198-E201 PolarHBondContact O-N 2.79Å; S198-E201 WeakPolarHBondContact OG-CB 3.3Å; S198-E201 WeakPolarHBondContact OG-CG 3.4Å; S198-E201 PolarHBondContact OG-N 3.37Å; S198-E201 PolarHBondContact OG-OE2 3.13Å; S198-R202 PolarHBondContact O-N 3.27Å
199	R	50.9	Low	74.2	Confident	199 Å²	199	37.6 Å²	37.6	75%	0.751	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-22.9	175.2	-82.5	-177.2	153.4	-162.9	-10.1	114.2	D466	R199-D466 IonicContact CZ-OD2 3.3Å; R199-D466 IonicContact NE-OD2 2.84Å; R199-D466 PolarHBondContact NE-OD2 3.37Å; R199-D466 IonicContact NH2-OD2 3.16Å; R199-D466 PolarHBondContact NH2-OD2 3.04Å
200	I	51.3	Low	73.4	Confident	110 Å²	110	38.9 Å²	38.9	56%	0.564	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-23.1	175	-60.7	173	0	0	0	111.5	K160 S198	K160-I200 HydrophobicContact CG-CG2 4.21Å; S198-I200 PolarHBondContact O-N 2.98Å
201	E	57.4	Low	72.6	Confident	24 Å²	24	38.1 Å²	38.1	11%	0.112	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.6	179.8	-72.7	168.6	140.1	0	0	114.5	C197 S198 T203 K204	C197-E201 HydrophobicContact CB-CB 4.29Å; S198-E201 WeakPolarHBondContact CA-OE2 3.46Å; S198-E201 WeakPolarHBondContact CB-OE2 3.44Å; S198-E201 PolarHBondContact N-OE2 3.02Å; S198-E201 WeakPolarHBondContact O-CA 3.35Å; S198-E201 WeakPolarHBondContact O-CB 3.46Å; S198-E201 PolarHBondContact O-N 2.79Å; S198-E201 WeakPolarHBondContact OG-CB 3.3Å; S198-E201 WeakPolarHBondContact OG-CG 3.4Å; S198-E201 PolarHBondContact OG-N 3.37Å; S198-E201 PolarHBondContact OG-OE2 3.13Å; E201-T203 PolarHBondContact O-N 2.76Å; E201-T203 VanDerWaalsContact O-N 3.13Å; E201-K204 HydrophobicContact CB-CD 3.91Å; E201-K204 HydrophobicContact CB-CG 4.15Å; E201-K204 HydrophobicContact CG-CD 3.86Å; E201-K204 HydrophobicContact CG-CG 4.35Å; E201-K204 WeakPolarHBondContact O-CA 3.42Å; E201-K204 WeakPolarHBondContact O-CB 3.29Å; E201-K204 PolarHBondContact O-N 3Å; E201-K204 WeakPolarHBondContact OE1-CE 3.34Å; E201-K204 IonicContact OE1-NZ 3.95Å; E201-K204 PolarHBondContact OE1-NZ 3.18Å
202	R	60.3	Low	72.2	Confident	59 Å²	59	38.1 Å²	38.1	22%	0.223	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-23.9	169.3	-99.2	-177	-167.2	-132.5	5.9	113.2	S198 K204 V205 V206 D466 I469 D470	S198-R202 PolarHBondContact O-N 3.27Å; R202-K204 VanDerWaalsContact C-N 3.33Å; R202-K204 PolarHBondContact O-N 3.46Å; R202-V205 WeakPolarHBondContact O-CB 3.49Å; R202-V205 PolarHBondContact O-N 3.41Å; R202-V206 PolarHBondContact O-N 2.93Å; R202-D466 WeakPolarHBondContact CD-OD1 3.07Å; R202-D466 VanDerWaalsContact CZ-CG 3.47Å; R202-D466 IonicContact CZ-OD1 2.78Å; R202-D466 VanDerWaalsContact CZ-OD1 3.25Å; R202-D466 IonicContact NE-OD1 3.52Å; R202-D466 PolarHBondContact NE-OD1 3.01Å; R202-D466 VanDerWaalsContact NE-OD1 3.09Å; R202-D466 VanDerWaalsContact NH1-C 3.29Å; R202-D466 PolarHBondContact NH1-O 2.89Å; R202-D466 IonicContact NH1-OD1 3.42Å; R202-D466 PolarHBondContact NH1-OD1 2.63Å; R202-D466 IonicContact NH2-OD1 3.67Å; R202-I469 HydrophobicContact CB-CD1 3.44Å; R202-I469 VanDerWaalsContact CB-CD1 3.44Å; R202-I469 HydrophobicContact CG-CD1 3.76Å; R202-D470 IonicContact CZ-OD1 3.47Å; R202-D470 IonicContact NH1-OD1 3.92Å; R202-D470 PolarHBondContact NH1-OD1 3.1Å; R202-D470 IonicContact NH1-OD2 2.75Å; R202-D470 IonicContact NH2-OD1 2.76Å
203	T	63.1	Low	71.4	Confident	28 Å²	28	39.9 Å²	39.9	17%	0.172	18%	0.184	C	C	.	.	H	α-helix	trans	-56.5	-39.7	163.2	-66.7	0	0	0	0	113.4	F124 F129 E201 V205 V206 L207	F124-T203 HydrophobicContact CE2-CG2 4.24Å; F129-T203 HydrophobicContact CD1-CG2 4.3Å; F129-T203 HydrophobicContact CE1-CG2 3.16Å; F129-T203 HydrophobicContact CE2-CG2 4.4Å; F129-T203 HydrophobicContact CZ-CG2 3.22Å; E201-T203 PolarHBondContact O-N 2.76Å; E201-T203 VanDerWaalsContact O-N 3.13Å; T203-V205 VanDerWaalsContact C-N 3.26Å; T203-V205 PolarHBondContact O-N 3.42Å; T203-V206 PolarHBondContact O-N 2.89Å; T203-L207 HydrophobicContact CG2-CD1 4.15Å; T203-L207 WeakPolarHBondContact O-CB 3.38Å; T203-L207 WeakPolarHBondContact O-CG 3.28Å; T203-L207 PolarHBondContact O-N 2.91Å
204	K	72.1	Confident	70.4	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-31.8	174.8	-60.6	-178.2	175.2	171.8	0	112.1	I157 G159 D179 V180 E201 R202 L207 G208	I157-K204 HydrophobicContact CG2-CB 4.09Å; I157-K204 HydrophobicContact CG2-CG 4.27Å; G159-K204 WeakPolarHBondContact O-CE 3.15Å; D179-K204 IonicContact OD1-NZ 3.06Å; D179-K204 PolarHBondContact OD1-NZ 2.76Å; V180-K204 HydrophobicContact CB-CB 4.23Å; V180-K204 HydrophobicContact CG2-CB 3.73Å; E201-K204 HydrophobicContact CB-CD 3.91Å; E201-K204 HydrophobicContact CB-CG 4.15Å; E201-K204 HydrophobicContact CG-CD 3.86Å; E201-K204 HydrophobicContact CG-CG 4.35Å; E201-K204 WeakPolarHBondContact O-CA 3.42Å; E201-K204 WeakPolarHBondContact O-CB 3.29Å; E201-K204 PolarHBondContact O-N 3Å; E201-K204 WeakPolarHBondContact OE1-CE 3.34Å; E201-K204 IonicContact OE1-NZ 3.95Å; E201-K204 PolarHBondContact OE1-NZ 3.18Å; R202-K204 VanDerWaalsContact C-N 3.33Å; R202-K204 PolarHBondContact O-N 3.46Å; K204-L207 VanDerWaalsContact O-CB 3.3Å; K204-L207 WeakPolarHBondContact O-CB 3.25Å; K204-L207 PolarHBondContact O-N 3.12Å; K204-G208 PolarHBondContact O-N 3.15Å
205	V	76.7	Confident	69.7	Low	4 Å²	4	41.1 Å²	41.1	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-50	177.3	178	0	0	0	0	110.1	V180 C193 R202 T203 L207 G208 I209 I473	V180-V205 HydrophobicContact CG2-CB 4.49Å; V180-V205 HydrophobicContact CG2-CG2 3.71Å; C193-V205 HydrophobicContact CB-CG2 4.27Å; R202-V205 WeakPolarHBondContact O-CB 3.49Å; R202-V205 PolarHBondContact O-N 3.41Å; T203-V205 VanDerWaalsContact C-N 3.26Å; T203-V205 PolarHBondContact O-N 3.42Å; V205-L207 VanDerWaalsContact C-N 3.26Å; V205-L207 PolarHBondContact O-N 2.6Å; V205-G208 PolarHBondContact O-N 3.18Å; V205-G208 VanDerWaalsContact O-N 3.08Å; V205-I209 HydrophobicContact CG1-CD1 3.95Å; V205-I209 WeakPolarHBondContact O-CG1 3.36Å; V205-I209 PolarHBondContact O-N 3.44Å; V205-I473 HydrophobicContact CG1-CD1 4.24Å
206	V	71.2	Confident	69.5	Low	7 Å²	7	36 Å²	36	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-44	175.6	-179.7	0	0	0	0	110.6	L125 R202 T203 G208 I209 E210 I469	L125-V206 HydrophobicContact CD1-CG1 4.07Å; L125-V206 HydrophobicContact CD2-CB 4.47Å; L125-V206 HydrophobicContact CD2-CG1 3.99Å; R202-V206 PolarHBondContact O-N 2.93Å; T203-V206 PolarHBondContact O-N 2.89Å; V206-G208 PolarHBondContact O-N 2.88Å; V206-I209 PolarHBondContact O-N 3.08Å; V206-E210 PolarHBondContact O-N 3.02Å; V206-I469 HydrophobicContact CG2-CG1 4.36Å
207	L	71.4	Confident	69.3	Low	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55	-45.9	172.7	-89.2	167.3	0	0	0	113.5	F129 F131 C163 M165 T203 K204 V205 I209 E210 F211	F129-L207 HydrophobicContact CB-CD2 3.26Å; F129-L207 HydrophobicContact CB-CG 4.23Å; F129-L207 HydrophobicContact CD1-CD1 3.82Å; F129-L207 HydrophobicContact CD1-CD2 3.89Å; F129-L207 HydrophobicContact CD1-CG 3.94Å; F129-L207 HydrophobicContact CD2-CD1 4.34Å; F129-L207 HydrophobicContact CD2-CD2 3.28Å; F129-L207 HydrophobicContact CD2-CG 3.54Å; F129-L207 HydrophobicContact CE1-CD1 4.01Å; F129-L207 HydrophobicContact CE1-CG 4.17Å; F129-L207 HydrophobicContact CE2-CD1 4.42Å; F129-L207 HydrophobicContact CE2-CD2 3.99Å; F129-L207 HydrophobicContact CE2-CG 3.7Å; F129-L207 HydrophobicContact CG-CD1 4.02Å; F129-L207 HydrophobicContact CG-CD2 3.19Å; F129-L207 HydrophobicContact CG-CG 3.64Å; F129-L207 HydrophobicContact CZ-CD1 4.29Å; F129-L207 HydrophobicContact CZ-CG 4.04Å; F131-L207 HydrophobicContact CE1-CD2 4.16Å; F131-L207 HydrophobicContact CZ-CD2 4.23Å; C163-L207 HydrophobicContact CB-CD1 3.43Å; C163-L207 VanDerWaalsContact CB-CD1 3.43Å; C163-L207 WeakPolarHBondContact SG-CD1 3.32Å; M165-L207 HydrophobicContact CE-CB 4.49Å; M165-L207 HydrophobicContact CE-CD2 4.2Å; T203-L207 HydrophobicContact CG2-CD1 4.15Å; T203-L207 WeakPolarHBondContact O-CB 3.38Å; T203-L207 WeakPolarHBondContact O-CG 3.28Å; T203-L207 PolarHBondContact O-N 2.91Å; K204-L207 VanDerWaalsContact O-CB 3.3Å; K204-L207 WeakPolarHBondContact O-CB 3.25Å; K204-L207 PolarHBondContact O-N 3.12Å; V205-L207 VanDerWaalsContact C-N 3.26Å; V205-L207 PolarHBondContact O-N 2.6Å; L207-I209 VanDerWaalsContact C-N 3.32Å; L207-I209 PolarHBondContact O-N 3.49Å; L207-E210 PolarHBondContact O-N 3.19Å; L207-F211 WeakPolarHBondContact O-CB 3.41Å; L207-F211 PolarHBondContact O-N 2.78Å
208	G	78.4	Confident	69	Low	0 Å²	0	41 Å²	41	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-35.2	177.4	0	0	0	0	0	113.3	K204 V205 V206 A212	K204-G208 PolarHBondContact O-N 3.15Å; V205-G208 PolarHBondContact O-N 3.18Å; V205-G208 VanDerWaalsContact O-N 3.08Å; V206-G208 PolarHBondContact O-N 2.88Å; G208-A212 WeakPolarHBondContact O-CB 2.91Å; G208-A212 PolarHBondContact O-N 3Å
209	I	79.9	Confident	69.6	Low	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-45.6	175.9	-62.9	162.5	0	0	0	110.9	V191 V205 V206 L207 F211 A212 R213 I228 F472	V191-I209 HydrophobicContact CG1-CG1 4.29Å; V191-I209 HydrophobicContact CG2-CG1 4.4Å; V205-I209 HydrophobicContact CG1-CD1 3.95Å; V205-I209 WeakPolarHBondContact O-CG1 3.36Å; V205-I209 PolarHBondContact O-N 3.44Å; V206-I209 PolarHBondContact O-N 3.08Å; L207-I209 VanDerWaalsContact C-N 3.32Å; L207-I209 PolarHBondContact O-N 3.49Å; I209-F211 VanDerWaalsContact C-N 3.33Å; I209-F211 PolarHBondContact O-N 3.36Å; I209-A212 WeakPolarHBondContact O-CB 3.46Å; I209-A212 PolarHBondContact O-N 3.15Å; I209-R213 WeakPolarHBondContact O-CG 3.25Å; I209-R213 PolarHBondContact O-N 2.94Å; I209-I228 HydrophobicContact CD1-CD1 3.49Å; I209-I228 VanDerWaalsContact CD1-CD1 3.49Å; I209-I228 HydrophobicContact CD1-CG1 4.23Å; I209-I228 HydrophobicContact CG1-CD1 3.79Å; I209-I228 HydrophobicContact CG1-CG1 4.08Å; I209-F472 HydrophobicContact CB-CE1 4.29Å; I209-F472 HydrophobicContact CD1-CD1 3.88Å; I209-F472 HydrophobicContact CD1-CE1 3.53Å; I209-F472 HydrophobicContact CG1-CE1 4.46Å; I209-F472 HydrophobicContact CG2-CE1 3.78Å; I209-F472 HydrophobicContact CG2-CZ 3.96Å
210	E	72.9	Confident	70.7	Confident	27 Å²	27	31 Å²	31	13%	0.126	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-41.9	176.1	-70.4	-57.7	124.1	0	0	111.3	V206 L207 A212 R213 E214	V206-E210 PolarHBondContact O-N 3.02Å; L207-E210 PolarHBondContact O-N 3.19Å; E210-A212 PolarHBondContact O-N 3.45Å; E210-R213 WeakPolarHBondContact O-CB 3.44Å; E210-R213 PolarHBondContact O-N 2.96Å; E210-R213 VanDerWaalsContact O-N 3.15Å; E210-R213 IonicContact OE1-CZ 3.48Å; E210-R213 IonicContact OE1-NH1 2.78Å; E210-R213 PolarHBondContact OE1-NH1 2.91Å; E210-E214 PolarHBondContact O-N 2.86Å
211	F	75.9	Confident	71.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-42.3	174.4	-175.9	-125.3	0	0	0	113	F38 F155 M165 V182 L207 I209 R213 E214 I215	F38-F211 AromaticContact CE1-CE2 3.98Å; F38-F211 HydrophobicContact CE1-CE2 3.98Å; F38-F211 HydrophobicContact CZ-CE2 4.34Å; F155-F211 HydrophobicContact CB-CE1 3.89Å; F155-F211 HydrophobicContact CD1-CE1 4.03Å; F155-F211 HydrophobicContact CD1-CZ 4.06Å; F155-F211 AromaticContact CD2-CE1 3.69Å; F155-F211 HydrophobicContact CD2-CE1 3.69Å; F155-F211 HydrophobicContact CD2-CZ 4.23Å; F155-F211 HydrophobicContact CE1-CE1 4.5Å; F155-F211 HydrophobicContact CE1-CZ 4.18Å; F155-F211 HydrophobicContact CE2-CE1 4.19Å; F155-F211 HydrophobicContact CE2-CZ 4.34Å; F155-F211 AromaticContact CG-CE1 3.6Å; F155-F211 HydrophobicContact CG-CE1 3.6Å; F155-F211 HydrophobicContact CG-CZ 4.09Å; F155-F211 HydrophobicContact CZ-CZ 4.32Å; M165-F211 HydrophobicContact CE-CB 3.55Å; M165-F211 HydrophobicContact CE-CD1 4.48Å; M165-F211 HydrophobicContact CE-CD2 4.2Å; M165-F211 HydrophobicContact CE-CG 3.85Å; M165-F211 HydrophobicContact SD-CB 3.87Å; M165-F211 HydrophobicContact SD-CD1 3.94Å; M165-F211 HydrophobicContact SD-CD2 3.37Å; M165-F211 WeakPolarHBondContact SD-CD2 3.5Å; M165-F211 HydrophobicContact SD-CE1 4.31Å; M165-F211 HydrophobicContact SD-CE2 3.78Å; M165-F211 HydrophobicContact SD-CG 3.45Å; M165-F211 WeakPolarHBondContact SD-CG 3.24Å; M165-F211 HydrophobicContact SD-CZ 4.23Å; V182-F211 HydrophobicContact CB-CD1 4Å; V182-F211 HydrophobicContact CB-CE1 4.37Å; V182-F211 HydrophobicContact CG1-CD1 4.01Å; V182-F211 HydrophobicContact CG1-CE1 4.41Å; V182-F211 HydrophobicContact CG2-CD1 4.02Å; L207-F211 WeakPolarHBondContact O-CB 3.41Å; L207-F211 PolarHBondContact O-N 2.78Å; I209-F211 VanDerWaalsContact C-N 3.33Å; I209-F211 PolarHBondContact O-N 3.36Å; F211-R213 VanDerWaalsContact C-N 3.27Å; F211-R213 PolarHBondContact O-N 2.93Å; F211-E214 PolarHBondContact O-N 3.48Å; F211-I215 HydrophobicContact CD1-CD1 3.95Å; F211-I215 HydrophobicContact CE1-CD1 3.56Å; F211-I215 HydrophobicContact CE1-CG1 4.44Å; F211-I215 HydrophobicContact CE2-CD1 4.28Å; F211-I215 HydrophobicContact CE2-CG1 4.32Å; F211-I215 HydrophobicContact CG-CD1 4.47Å; F211-I215 HydrophobicContact CZ-CD1 3.75Å; F211-I215 HydrophobicContact CZ-CG1 4.23Å; F211-I215 WeakPolarHBondContact O-CG1 3.39Å; F211-I215 PolarHBondContact O-N 3.08Å
212	A	81.2	Confident	72.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-37.6	174	0	0	0	0	0	112	V182 I189 V191 G208 I209 E210 I215 R216 I226	V182-A212 HydrophobicContact CG1-CB 4.22Å; I189-A212 HydrophobicContact CB-CB 4.46Å; I189-A212 WeakPolarHBondContact CD1-O 3.4Å; I189-A212 HydrophobicContact CG2-CB 3.58Å; V191-A212 HydrophobicContact CG2-CB 3.72Å; G208-A212 WeakPolarHBondContact O-CB 2.91Å; G208-A212 PolarHBondContact O-N 3Å; I209-A212 WeakPolarHBondContact O-CB 3.46Å; I209-A212 PolarHBondContact O-N 3.15Å; E210-A212 PolarHBondContact O-N 3.45Å; A212-I215 PolarHBondContact O-N 3.37Å; A212-R216 WeakPolarHBondContact O-CB 3.35Å; A212-R216 PolarHBondContact O-N 3.31Å; A212-I226 HydrophobicContact CB-CD1 4.09Å; A212-I226 HydrophobicContact CB-CG1 4.22Å; A212-I226 HydrophobicContact CB-CG2 3.78Å
213	R	76.4	Confident	73.1	Confident	38 Å²	38	37.2 Å²	37.2	14%	0.143	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-41.6	174.1	-71.5	170.2	171	178.6	-5.7	112	I209 E210 F211 R216 D217 I226 E476	I209-R213 WeakPolarHBondContact O-CG 3.25Å; I209-R213 PolarHBondContact O-N 2.94Å; E210-R213 WeakPolarHBondContact O-CB 3.44Å; E210-R213 PolarHBondContact O-N 2.96Å; E210-R213 VanDerWaalsContact O-N 3.15Å; E210-R213 IonicContact OE1-CZ 3.48Å; E210-R213 IonicContact OE1-NH1 2.78Å; E210-R213 PolarHBondContact OE1-NH1 2.91Å; F211-R213 VanDerWaalsContact C-N 3.27Å; F211-R213 PolarHBondContact O-N 2.93Å; R213-R216 WeakPolarHBondContact O-CB 3.24Å; R213-R216 PolarHBondContact O-N 2.91Å; R213-D217 WeakPolarHBondContact O-CB 3.22Å; R213-D217 VanDerWaalsContact O-CG 3.26Å; R213-D217 PolarHBondContact O-N 2.77Å; R213-I226 HydrophobicContact CB-CD1 4.22Å; R213-I226 HydrophobicContact CG-CD1 3.54Å; R213-E476 IonicContact NE-OE1 2.68Å; R213-E476 IonicContact NH2-OE1 2.79Å; R213-E476 PolarHBondContact NH2-OE1 3.24Å; R213-E476 IonicContact NH2-OE2 3.38Å; R213-E476 PolarHBondContact NH2-OE2 3.24Å; R213-E476 VanDerWaalsContact NH2-OE2 3.11Å
214	E	67.5	Low	74	Confident	28 Å²	28	36.1 Å²	36.1	13%	0.131	17%	0.173	C	C	.	.	H	α-helix	trans	-62.4	-46.2	175.4	-66.6	-167.9	155.8	0	0	112.1	R109 E210 F211 R216 D217 F218	R109-E214 WeakPolarHBondContact CD-OE1 3.49Å; R109-E214 IonicContact CZ-OE1 3.52Å; R109-E214 IonicContact CZ-OE2 3.6Å; R109-E214 IonicContact NE-OE1 3.89Å; R109-E214 IonicContact NH1-OE1 2.61Å; R109-E214 PolarHBondContact NH1-OE1 3.09Å; R109-E214 IonicContact NH1-OE2 2.95Å; R109-E214 PolarHBondContact NH1-OE2 3.41Å; E210-E214 PolarHBondContact O-N 2.86Å; F211-E214 PolarHBondContact O-N 3.48Å; E214-R216 VanDerWaalsContact C-N 3.3Å; E214-R216 PolarHBondContact O-N 2.85Å; E214-D217 PolarHBondContact O-N 3.02Å; E214-F218 HydrophobicContact CB-CD2 4.15Å; E214-F218 WeakPolarHBondContact O-CB 3.44Å; E214-F218 WeakPolarHBondContact O-CD2 3.42Å; E214-F218 PolarHBondContact O-N 3.3Å
215	I	71.8	Confident	74.7	Confident	9 Å²	9	36.8 Å²	36.8	5%	0.046	18%	0.176	C	C	.	.	I	π-helix	trans	-58.1	-46.6	175.1	-66.3	172.7	0	0	0	109.7	F155 V182 D184 I189 F211 A212 D217 A219 H220	F155-I215 HydrophobicContact CD2-CD1 4.36Å; F155-I215 HydrophobicContact CE2-CD1 4.03Å; V182-I215 HydrophobicContact CG1-CD1 4.26Å; D184-I215 HydrophobicContact CB-CD1 4.36Å; D184-I215 HydrophobicContact CB-CG2 4.22Å; I189-I215 HydrophobicContact CD1-CB 3.97Å; I189-I215 HydrophobicContact CD1-CG2 3.73Å; I189-I215 HydrophobicContact CG1-CG2 4.35Å; F211-I215 HydrophobicContact CD1-CD1 3.95Å; F211-I215 HydrophobicContact CE1-CD1 3.56Å; F211-I215 HydrophobicContact CE1-CG1 4.44Å; F211-I215 HydrophobicContact CE2-CD1 4.28Å; F211-I215 HydrophobicContact CE2-CG1 4.32Å; F211-I215 HydrophobicContact CG-CD1 4.47Å; F211-I215 HydrophobicContact CZ-CD1 3.75Å; F211-I215 HydrophobicContact CZ-CG1 4.23Å; F211-I215 WeakPolarHBondContact O-CG1 3.39Å; F211-I215 PolarHBondContact O-N 3.08Å; A212-I215 PolarHBondContact O-N 3.37Å; I215-D217 PolarHBondContact O-N 3.46Å; I215-A219 HydrophobicContact CG2-CB 4.28Å; I215-A219 WeakPolarHBondContact O-CA 3.5Å; I215-A219 WeakPolarHBondContact O-CB 3.21Å; I215-A219 PolarHBondContact O-N 2.87Å; I215-H220 PolarHBondContact O-N 2.79Å; I215-H220 VanDerWaalsContact O-N 3.1Å
216	R	78.7	Confident	75.1	Confident	61 Å²	61	36.9 Å²	36.9	23%	0.23	18%	0.177	C	C	.	.	I	π-helix	trans	-56.4	-52.4	177	-177	-165.4	66.9	-160.7	-4.7	111.5	I189 A212 R213 E214 H220 H221 G222 A224 I226	I189-R216 HydrophobicContact CD1-CB 3.78Å; A212-R216 WeakPolarHBondContact O-CB 3.35Å; A212-R216 PolarHBondContact O-N 3.31Å; R213-R216 WeakPolarHBondContact O-CB 3.24Å; R213-R216 PolarHBondContact O-N 2.91Å; E214-R216 VanDerWaalsContact C-N 3.3Å; E214-R216 PolarHBondContact O-N 2.85Å; R216-H220 CarbonylContact O-C 3.56Å; R216-H220 WeakPolarHBondContact O-CA 3.29Å; R216-H220 WeakPolarHBondContact O-CB 3.26Å; R216-H220 PolarHBondContact O-N 2.91Å; R216-H221 PolarHBondContact O-N 3.03Å; R216-H221 VanDerWaalsContact O-N 3.14Å; R216-G222 WeakPolarHBondContact O-CA 3.39Å; R216-G222 PolarHBondContact O-N 2.8Å; R216-A224 HydrophobicContact CB-CB 4.42Å; R216-A224 WeakPolarHBondContact CD-O 3.3Å; R216-A224 HydrophobicContact CG-CB 4.05Å; R216-A224 VanDerWaalsContact CG-O 3.28Å; R216-A224 WeakPolarHBondContact CG-O 3.5Å; R216-I226 HydrophobicContact CB-CD1 4.28Å
217	D	71.3	Confident	75.9	Confident	76 Å²	76	37.6 Å²	37.6	41%	0.406	18%	0.179	S	C	.	.	I	π-helix	trans	-75.6	-41.4	-169.4	-67.4	-12.9	0	0	0	112.1	R213 E214 I215	R213-D217 WeakPolarHBondContact O-CB 3.22Å; R213-D217 VanDerWaalsContact O-CG 3.26Å; R213-D217 PolarHBondContact O-N 2.77Å; E214-D217 PolarHBondContact O-N 3.02Å; I215-D217 PolarHBondContact O-N 3.46Å
218	F	65.2	Low	76.7	Confident	134 Å²	134	37.6 Å²	37.6	59%	0.588	18%	0.179	S	C	*	.	I	π-helix	trans	-94	-38	-174.9	-65.8	-74.6	0	0	0	113.9	E214	E214-F218 HydrophobicContact CB-CD2 4.15Å; E214-F218 WeakPolarHBondContact O-CB 3.44Å; E214-F218 WeakPolarHBondContact O-CD2 3.42Å; E214-F218 PolarHBondContact O-N 3.3Å
219	A	67.1	Low	77.2	Confident	21 Å²	21	37.8 Å²	37.8	17%	0.174	18%	0.181	C	C	.	.	I	π-helix	trans	-91.5	-37.9	-179.3	0	0	0	0	0	112.3	L148 I215	L148-A219 HydrophobicContact CD1-CB 4.26Å; L148-A219 WeakPolarHBondContact CD1-O 3.44Å; L148-A219 HydrophobicContact CD2-CB 4.13Å; I215-A219 HydrophobicContact CG2-CB 4.28Å; I215-A219 WeakPolarHBondContact O-CA 3.5Å; I215-A219 WeakPolarHBondContact O-CB 3.21Å; I215-A219 PolarHBondContact O-N 2.87Å
220	H	75.1	Confident	77.4	Confident	23 Å²	23	41.3 Å²	41.3	11%	0.106	20%	0.197	C	C	.	.	S	Bend	trans	-109.2	14	-174.4	-55.8	-51.2	0	0	0	114.1	D184 L186 I215 R216 G222 K223 A224	D184-H220 IonicContact OD1-CD2 2.68Å; D184-H220 IonicContact OD1-CE1 2.68Å; D184-H220 PolarHBondContact OD1-CE1 2.9Å; D184-H220 IonicContact OD1-NE2 2.74Å; D184-H220 PolarHBondContact OD1-NE2 2.96Å; D184-H220 IonicContact OD2-CE1 3.7Å; D184-H220 IonicContact OD2-NE2 2.65Å; L186-H220 PolarHBondContact O-CD2 3.4Å; I215-H220 PolarHBondContact O-N 2.79Å; I215-H220 VanDerWaalsContact O-N 3.1Å; R216-H220 CarbonylContact O-C 3.56Å; R216-H220 WeakPolarHBondContact O-CA 3.29Å; R216-H220 WeakPolarHBondContact O-CB 3.26Å; R216-H220 PolarHBondContact O-N 2.91Å; H220-G222 PolarHBondContact O-N 3.46Å; H220-G222 VanDerWaalsContact O-N 3.16Å; H220-K223 WeakPolarHBondContact O-CB 3.48Å; H220-K223 PolarHBondContact O-N 2.84Å; H220-A224 HydrophobicContact CB-CB 3.82Å
221	H	72.5	Confident	77.9	Confident	149 Å²	149	41 Å²	41	69%	0.69	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	33.4	175.6	-49.9	84.3	0	0	0	113.8	R216 K223	R216-H221 PolarHBondContact O-N 3.03Å; R216-H221 VanDerWaalsContact O-N 3.14Å; H221-K223 VanDerWaalsContact C-N 3.3Å; H221-K223 PolarHBondContact O-N 3.21Å
222	G	70	Confident	77.9	Confident	19 Å²	19	44.4 Å²	44.4	20%	0.196	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-1	-179.5	0	0	0	0	0	115.1	R216 H220	R216-G222 WeakPolarHBondContact O-CA 3.39Å; R216-G222 PolarHBondContact O-N 2.8Å; H220-G222 PolarHBondContact O-N 3.46Å; H220-G222 VanDerWaalsContact O-N 3.16Å
223	K	77.2	Confident	77.9	Confident	154 Å²	154	47.7 Å²	47.7	67%	0.67	25%	0.254	S	S	*	.			trans	-89.2	-15.3	-168.6	-64.4	-176	176.6	-177.1	0	115.3	H220 H221	H220-K223 WeakPolarHBondContact O-CB 3.48Å; H220-K223 PolarHBondContact O-N 2.84Å; H221-K223 VanDerWaalsContact C-N 3.3Å; H221-K223 PolarHBondContact O-N 3.21Å
224	A	81.5	Confident	77.8	Confident	5 Å²	5	51.4 Å²	51.4	4%	0.041	28%	0.277	C	S	.	.			trans	-78.6	146.1	-177.8	0	0	0	0	0	112.3	L186 E187 I189 R216 H220	L186-A224 WeakPolarHBondContact O-CB 3.34Å; E187-A224 CarbonylContact O-C 3.49Å; E187-A224 WeakPolarHBondContact O-CA 3.43Å; I189-A224 HydrophobicContact CD1-CB 3.9Å; I189-A224 HydrophobicContact CG1-CB 4Å; R216-A224 HydrophobicContact CB-CB 4.42Å; R216-A224 WeakPolarHBondContact CD-O 3.3Å; R216-A224 HydrophobicContact CG-CB 4.05Å; R216-A224 VanDerWaalsContact CG-O 3.28Å; R216-A224 WeakPolarHBondContact CG-O 3.5Å; H220-A224 HydrophobicContact CB-CB 3.82Å
225	L	86	Confident	78.4	Confident	16 Å²	16	53 Å²	53	8%	0.084	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.3	175.4	-61.8	176.9	0	0	0	110.4	E187 N188 I189 D483 Q484	E187-L225 PolarHBondContact O-N 3.05Å; N188-L225 CarbonylContact C-O 3.44Å; N188-L225 WeakPolarHBondContact CA-O 3.39Å; I189-L225 PolarHBondContact N-O 3.17Å; L225-D483 HydrophobicContact CD2-CB 3.64Å; L225-Q484 HydrophobicContact CD1-CG 3.81Å
226	I	85.3	Confident	79.1	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111.9	-178.7	-59	171.2	0	0	0	110	I189 V191 A212 R213 R216 V480	I189-I226 HydrophobicContact CB-CG1 4.38Å; I189-I226 HydrophobicContact CD1-CG1 4.35Å; I189-I226 CarbonylContact O-C 3.51Å; I189-I226 WeakPolarHBondContact O-CA 3.28Å; V191-I226 HydrophobicContact CG2-CG2 4.22Å; A212-I226 HydrophobicContact CB-CD1 4.09Å; A212-I226 HydrophobicContact CB-CG1 4.22Å; A212-I226 HydrophobicContact CB-CG2 3.78Å; R213-I226 HydrophobicContact CB-CD1 4.22Å; R213-I226 HydrophobicContact CG-CD1 3.54Å; R216-I226 HydrophobicContact CB-CD1 4.28Å; I226-V480 WeakPolarHBondContact O-CG2 3.22Å
227	H	88.7	Confident	79.5	Confident	22 Å²	22	53.5 Å²	53.5	10%	0.102	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.4	179.8	-58.9	-96.8	0	0	0	110.3	N188 I189 Y190 V191 L229 V480	N188-H227 PolarHBondContact OD1-NE2 2.81Å; I189-H227 PolarHBondContact O-N 3.13Å; Y190-H227 CarbonylContact C-O 3.04Å; Y190-H227 WeakPolarHBondContact CA-O 3.38Å; Y190-H227 HydrophobicContact CD1-CB 3.56Å; Y190-H227 AromaticContact CD1-CD2 3.96Å; Y190-H227 AromaticContact CD1-CG 3.85Å; Y190-H227 HydrophobicContact CE1-CB 4.01Å; Y190-H227 AromaticContact CE1-CD2 3.72Å; Y190-H227 AromaticContact CE1-CG 3.78Å; Y190-H227 HydrophobicContact CG-CB 4.41Å; V191-H227 PolarHBondContact N-O 2.91Å; H227-L229 HydrophobicContact CB-CD2 4.3Å; H227-V480 WeakPolarHBondContact CE1-CG1 3.33Å
228	I	87.4	Confident	80.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.1	175.4	-52.4	167.7	0	0	0	109.2	I209 N235 I473 E476 N477	I209-I228 HydrophobicContact CD1-CD1 3.49Å; I209-I228 VanDerWaalsContact CD1-CD1 3.49Å; I209-I228 HydrophobicContact CD1-CG1 4.23Å; I209-I228 HydrophobicContact CG1-CD1 3.79Å; I209-I228 HydrophobicContact CG1-CG1 4.08Å; I228-N235 PolarHBondContact O-ND2 2.73Å; I228-I473 HydrophobicContact CB-CG2 4.11Å; I228-I473 HydrophobicContact CD1-CG1 4.36Å; I228-I473 HydrophobicContact CG2-CB 4.44Å; I228-I473 HydrophobicContact CG2-CD1 4.24Å; I228-I473 HydrophobicContact CG2-CG1 4Å; I228-I473 HydrophobicContact CG2-CG2 3.81Å; I228-E476 HydrophobicContact CD1-CB 3.66Å; I228-E476 HydrophobicContact CD1-CG 3.93Å; I228-N477 PolarHBondContact N-OD1 2.96Å; I228-N477 PolarHBondContact O-ND2 3.16Å; I228-N477 PolarHBondContact O-OD1 2.81Å
229	L	88.6	Confident	81.6	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.4	-171.3	-51.6	-178.4	0	0	0	110.5	Y190 V191 W192 C193 H227 N235 F239	Y190-L229 HydrophobicContact CD1-CD1 3.82Å; Y190-L229 HydrophobicContact CD1-CG 4.45Å; Y190-L229 HydrophobicContact CG-CD1 4.33Å; V191-L229 PolarHBondContact O-N 2.82Å; W192-L229 HydrophobicContact CB-CB 4.42Å; C193-L229 PolarHBondContact N-O 3.41Å; C193-L229 PolarHBondContact SG-O 3.34Å; H227-L229 HydrophobicContact CB-CD2 4.3Å; L229-N235 HydrophobicContact CD2-CB 4.12Å; L229-N235 WeakPolarHBondContact CD2-O 3.42Å; L229-F239 HydrophobicContact CD1-CB 3.31Å; L229-F239 HydrophobicContact CD1-CD1 4.34Å; L229-F239 HydrophobicContact CD1-CD2 4.09Å; L229-F239 HydrophobicContact CD1-CG 3.69Å
230	E	84.5	Confident	82.8	Confident	74 Å²	74	48.8 Å²	48.8	35%	0.346	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.4	178.4	-65.8	-178.3	143.2	0	0	109.6	G232 V233 C236	E230-G232 PolarHBondContact O-N 2.86Å; E230-V233 HydrophobicContact CB-CB 4.48Å; E230-V233 HydrophobicContact CB-CG2 3.82Å; E230-V233 PolarHBondContact O-N 2.85Å; E230-V233 VanDerWaalsContact O-N 3.1Å; E230-C236 PolarHBondContact O-SG 2.93Å; E230-C236 VanDerWaalsContact O-SG 3.34Å
231	A	84.1	Confident	83.6	Confident	21 Å²	21	51.7 Å²	51.7	17%	0.174	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	120.6	179.5	0	0	0	0	0	112	W192 C193 R195	W192-A231 HydrophobicContact CH2-CB 4.34Å; W192-A231 HydrophobicContact CZ2-CB 3.6Å; C193-A231 WeakPolarHBondContact O-CB 3.44Å; C193-A231 PolarHBondContact O-N 3.42Å; R195-A231 HydrophobicContact CB-CB 3.94Å
232	G	75.9	Confident	84.4	Confident	72 Å²	72	46.9 Å²	46.9	74%	0.742	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-1.6	179.7	0	0	0	0	0	114.9	E230	E230-G232 PolarHBondContact O-N 2.86Å
233	V	80.1	Confident	85.3	Confident	68 Å²	68	46.5 Å²	46.5	41%	0.412	25%	0.249	S	C	.	.	S	Bend	trans	-90.3	144.9	170.3	-176.7	0	0	0	0	109.9	E230 N235 C236	E230-V233 HydrophobicContact CB-CB 4.48Å; E230-V233 HydrophobicContact CB-CG2 3.82Å; E230-V233 PolarHBondContact O-N 2.85Å; E230-V233 VanDerWaalsContact O-N 3.1Å; V233-N235 WeakPolarHBondContact CB-OD1 3.31Å; V233-N235 HydrophobicContact CG1-CB 4.44Å; V233-N235 WeakPolarHBondContact CG1-OD1 3.35Å; V233-N235 PolarHBondContact O-N 3.12Å; V233-N235 PolarHBondContact O-OD1 2.8Å; V233-C236 PolarHBondContact O-N 2.96Å
234	D	75.7	Confident	85.7	Confident	116 Å²	116	42.8 Å²	42.8	62%	0.62	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-67.2	-1.7	-174.6	-159.7	36.8	0	0	0	114.4	C236 K237	D234-C236 VanDerWaalsContact C-N 3.31Å; D234-C236 PolarHBondContact O-N 3.27Å; D234-K237 WeakPolarHBondContact OD1-CE 3.4Å; D234-K237 IonicContact OD1-NZ 2.71Å; D234-K237 PolarHBondContact OD1-NZ 2.68Å; D234-K237 IonicContact OD2-NZ 2.91Å; D234-K237 PolarHBondContact OD2-NZ 3.29Å
235	N	78.7	Confident	86.1	Confident	63 Å²	63	43.6 Å²	43.6	34%	0.337	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-82.4	-0	178.3	65.8	-12.3	0	0	0	114.1	I228 L229 V233	I228-N235 PolarHBondContact O-ND2 2.73Å; L229-N235 HydrophobicContact CD2-CB 4.12Å; L229-N235 WeakPolarHBondContact CD2-O 3.42Å; V233-N235 WeakPolarHBondContact CB-OD1 3.31Å; V233-N235 HydrophobicContact CG1-CB 4.44Å; V233-N235 WeakPolarHBondContact CG1-OD1 3.35Å; V233-N235 PolarHBondContact O-N 3.12Å; V233-N235 PolarHBondContact O-OD1 2.8Å
236	C	86.5	Confident	86.3	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.041	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-85.2	-7.6	-176.8	-63.6	0	0	0	0	115.2	E230 V233 D234 H238 F239 F240	E230-C236 PolarHBondContact O-SG 2.93Å; E230-C236 VanDerWaalsContact O-SG 3.34Å; V233-C236 PolarHBondContact O-N 2.96Å; D234-C236 VanDerWaalsContact C-N 3.31Å; D234-C236 PolarHBondContact O-N 3.27Å; C236-H238 PolarHBondContact O-N 3.09Å; C236-F239 WeakPolarHBondContact O-CB 3.46Å; C236-F239 PolarHBondContact O-N 3.04Å; C236-F239 VanDerWaalsContact O-N 3.16Å; C236-F240 HydrophobicContact CB-CD2 3.91Å; C236-F240 HydrophobicContact CB-CE2 3.41Å; C236-F240 VanDerWaalsContact CB-CE2 3.41Å; C236-F240 HydrophobicContact CB-CZ 4.06Å; C236-F240 VanDerWaalsContact O-CD2 3.27Å; C236-F240 WeakPolarHBondContact O-CD2 3.25Å; C236-F240 PolarHBondContact O-N 2.87Å
237	K	88.7	Confident	86.5	Confident	73 Å²	73	48.1 Å²	48.1	32%	0.317	29%	0.293	S	S	.	.	H	α-helix	trans	-53.7	-55.4	-172.2	-72.4	175.1	-180	150	0	113.2	D234 F239 F240 E241 P247	D234-K237 WeakPolarHBondContact OD1-CE 3.4Å; D234-K237 IonicContact OD1-NZ 2.71Å; D234-K237 PolarHBondContact OD1-NZ 2.68Å; D234-K237 IonicContact OD2-NZ 2.91Å; D234-K237 PolarHBondContact OD2-NZ 3.29Å; K237-F239 VanDerWaalsContact C-N 3.28Å; K237-F239 PolarHBondContact O-N 3.11Å; K237-F240 PolarHBondContact O-N 3.16Å; K237-E241 WeakPolarHBondContact O-CG 3.14Å; K237-E241 PolarHBondContact O-N 3.38Å; K237-P247 HydrophobicContact CB-CB 4.11Å; K237-P247 HydrophobicContact CG-CB 4.06Å
238	H	88.8	Confident	86.4	Confident	119 Å²	119	52.8 Å²	52.8	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-63.5	-34.7	-179.2	-70.8	-48.9	0	0	0	112.7	C236 E241 Q242	C236-H238 PolarHBondContact O-N 3.09Å; H238-E241 IonicContact CE1-OE2 2.77Å; H238-E241 IonicContact CG-OE2 3.49Å; H238-E241 IonicContact ND1-OE2 3.56Å; H238-E241 PolarHBondContact ND1-OE2 3.13Å; H238-E241 PolarHBondContact O-N 2.95Å; H238-Q242 VanDerWaalsContact O-CG 3.24Å; H238-Q242 WeakPolarHBondContact O-CG 3.37Å; H238-Q242 PolarHBondContact O-N 3.43Å
239	F	91.9	Very high	86.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-45.1	175	165.4	-97.5	0	0	0	112	L175 L183 Y190 W192 L229 C236 K237 Q242 L243	L175-F239 HydrophobicContact CD1-CE1 3.72Å; L175-F239 HydrophobicContact CD1-CZ 4.06Å; L175-F239 HydrophobicContact CD2-CZ 4.08Å; L183-F239 HydrophobicContact CB-CD2 4.09Å; L183-F239 HydrophobicContact CB-CE2 3.77Å; L183-F239 HydrophobicContact CD2-CD2 3.62Å; L183-F239 HydrophobicContact CD2-CE2 3.88Å; L183-F239 HydrophobicContact CG-CE2 4.5Å; Y190-F239 HydrophobicContact CD1-CB 4.21Å; Y190-F239 HydrophobicContact CD2-CD2 4.48Å; Y190-F239 HydrophobicContact CG-CB 4.31Å; Y190-F239 HydrophobicContact CG-CD2 4.05Å; W192-F239 HydrophobicContact CB-CD1 4.47Å; W192-F239 HydrophobicContact CB-CD2 4.45Å; W192-F239 HydrophobicContact CB-CE1 3.87Å; W192-F239 HydrophobicContact CB-CE2 3.84Å; W192-F239 HydrophobicContact CB-CZ 3.51Å; W192-F239 AromaticContact CD1-CD1 3.95Å; W192-F239 AromaticContact CD1-CE1 3.71Å; W192-F239 HydrophobicContact CD2-CE1 4.17Å; W192-F239 HydrophobicContact CD2-CZ 4.36Å; W192-F239 HydrophobicContact CG-CD1 4.26Å; W192-F239 AromaticContact CG-CE1 3.63Å; W192-F239 HydrophobicContact CG-CE1 3.63Å; W192-F239 AromaticContact CG-CZ 3.77Å; W192-F239 HydrophobicContact CG-CZ 3.77Å; L229-F239 HydrophobicContact CD1-CB 3.31Å; L229-F239 HydrophobicContact CD1-CD1 4.34Å; L229-F239 HydrophobicContact CD1-CD2 4.09Å; L229-F239 HydrophobicContact CD1-CG 3.69Å; C236-F239 WeakPolarHBondContact O-CB 3.46Å; C236-F239 PolarHBondContact O-N 3.04Å; C236-F239 VanDerWaalsContact O-N 3.16Å; K237-F239 VanDerWaalsContact C-N 3.28Å; K237-F239 PolarHBondContact O-N 3.11Å; F239-Q242 WeakPolarHBondContact O-CB 3.31Å; F239-Q242 PolarHBondContact O-N 3.05Å; F239-L243 HydrophobicContact CD1-CD1 4.31Å; F239-L243 HydrophobicContact CE1-CD1 3.73Å; F239-L243 HydrophobicContact CE2-CD1 4.13Å; F239-L243 HydrophobicContact CZ-CD1 3.64Å; F239-L243 WeakPolarHBondContact O-CG 3Å; F239-L243 PolarHBondContact O-N 3.23Å
240	F	92.5	Very high	86.4	Confident	13 Å²	13	60.7 Å²	60.7	6%	0.057	36%	0.36	C	S	.	.	H	α-helix	trans	-67	-37	176.4	-64.9	-50.2	0	0	0	112.6	L175 C236 K237 Q242 L243 G244 A245 S246 Y249 V251	L175-F240 HydrophobicContact CD1-CD1 4.42Å; L175-F240 HydrophobicContact CD1-CE1 3.89Å; C236-F240 HydrophobicContact CB-CD2 3.91Å; C236-F240 HydrophobicContact CB-CE2 3.41Å; C236-F240 VanDerWaalsContact CB-CE2 3.41Å; C236-F240 HydrophobicContact CB-CZ 4.06Å; C236-F240 VanDerWaalsContact O-CD2 3.27Å; C236-F240 WeakPolarHBondContact O-CD2 3.25Å; C236-F240 PolarHBondContact O-N 2.87Å; K237-F240 PolarHBondContact O-N 3.16Å; F240-Q242 VanDerWaalsContact C-N 3.33Å; F240-Q242 PolarHBondContact O-N 3Å; F240-L243 CarbonylContact O-C 3.41Å; F240-L243 PolarHBondContact O-N 3.06Å; F240-L243 VanDerWaalsContact O-N 3.13Å; F240-G244 PolarHBondContact O-N 3.41Å; F240-A245 HydrophobicContact CB-CB 4.28Å; F240-A245 PolarHBondContact O-N 3.31Å; F240-S246 WeakPolarHBondContact CB-O 3.33Å; F240-Y249 AromaticContact CD1-CD1 3.96Å; F240-Y249 HydrophobicContact CD1-CD1 3.96Å; F240-Y249 HydrophobicContact CD1-CG 4.47Å; F240-Y249 AromaticContact CE1-CD1 3.87Å; F240-Y249 HydrophobicContact CE1-CD1 3.87Å; F240-Y249 VanDerWaalsContact CE2-O 3.26Å; F240-Y249 WeakPolarHBondContact CE2-O 3.44Å; F240-Y249 HydrophobicContact CZ-CD1 4.44Å; F240-V251 HydrophobicContact CE1-CG2 4.25Å; F240-V251 HydrophobicContact CZ-CG2 4.48Å
241	E	90.6	Very high	86.6	Confident	84 Å²	84	57.8 Å²	57.8	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-41.7	171.7	-69.3	169.9	167.7	0	0	111.7	K237 H238 L243 G244 P247	K237-E241 WeakPolarHBondContact O-CG 3.14Å; K237-E241 PolarHBondContact O-N 3.38Å; H238-E241 IonicContact CE1-OE2 2.77Å; H238-E241 IonicContact CG-OE2 3.49Å; H238-E241 IonicContact ND1-OE2 3.56Å; H238-E241 PolarHBondContact ND1-OE2 3.13Å; H238-E241 PolarHBondContact O-N 2.95Å; E241-L243 PolarHBondContact O-N 3.15Å; E241-G244 PolarHBondContact O-N 2.92Å; E241-P247 HydrophobicContact CG-CB 4.48Å; E241-P247 HydrophobicContact CG-CG 3.9Å; E241-P247 WeakPolarHBondContact OE1-CG 3.42Å
242	Q	89.3	Confident	86.7	Confident	48 Å²	48	62.1 Å²	62.1	22%	0.224	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-27.5	176.5	-68.1	-44	-63.4	0	0	112.6	K152 L183 A185 Y190 H238 F239 F240	K152-Q242 HydrophobicContact CD-CB 4.36Å; L183-Q242 HydrophobicContact CD2-CB 3.58Å; L183-Q242 HydrophobicContact CD2-CG 4.3Å; A185-Q242 HydrophobicContact CB-CG 4.25Å; Y190-Q242 HydrophobicContact CE2-CG 3.81Å; H238-Q242 VanDerWaalsContact O-CG 3.24Å; H238-Q242 WeakPolarHBondContact O-CG 3.37Å; H238-Q242 PolarHBondContact O-N 3.43Å; F239-Q242 WeakPolarHBondContact O-CB 3.31Å; F239-Q242 PolarHBondContact O-N 3.05Å; F240-Q242 VanDerWaalsContact C-N 3.33Å; F240-Q242 PolarHBondContact O-N 3Å
243	L	89.6	Confident	87.2	Confident	11 Å²	11	63.9 Å²	63.9	6%	0.058	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.8	176.2	-63.7	177.9	0	0	0	113.9	L154 L170 A172 L175 L183 F239 F240 E241 A245	L154-L243 HydrophobicContact CD1-CD2 4.33Å; L154-L243 HydrophobicContact CD2-CD2 4.03Å; L170-L243 HydrophobicContact CD1-CD2 3.77Å; L170-L243 HydrophobicContact CG-CD2 4.26Å; A172-L243 HydrophobicContact CB-CB 4.37Å; A172-L243 HydrophobicContact CB-CD1 4.38Å; L175-L243 HydrophobicContact CD1-CD1 3.85Å; L175-L243 HydrophobicContact CD2-CD1 4.48Å; L175-L243 HydrophobicContact CG-CD1 4.38Å; L183-L243 HydrophobicContact CD1-CD2 4.1Å; L183-L243 HydrophobicContact CD2-CD2 3.98Å; L183-L243 HydrophobicContact CD2-CG 4.12Å; F239-L243 HydrophobicContact CD1-CD1 4.31Å; F239-L243 HydrophobicContact CE1-CD1 3.73Å; F239-L243 HydrophobicContact CE2-CD1 4.13Å; F239-L243 HydrophobicContact CZ-CD1 3.64Å; F239-L243 WeakPolarHBondContact O-CG 3Å; F239-L243 PolarHBondContact O-N 3.23Å; F240-L243 CarbonylContact O-C 3.41Å; F240-L243 PolarHBondContact O-N 3.06Å; F240-L243 VanDerWaalsContact O-N 3.13Å; E241-L243 PolarHBondContact O-N 3.15Å; L243-A245 VanDerWaalsContact C-N 3.33Å
244	G	86.1	Confident	87	Confident	76 Å²	76	65.2 Å²	65.2	78%	0.784	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	16.5	-178.5	0	0	0	0	0	114.8	F240 E241	F240-G244 PolarHBondContact O-N 3.41Å; E241-G244 PolarHBondContact O-N 2.92Å
245	A	89.7	Confident	86.6	Confident	23 Å²	23	61.8 Å²	61.8	19%	0.19	35%	0.349	C	S	.	.	S	Bend	trans	-98.7	169.3	177	0	0	0	0	0	112.1	A172 F240 L243 Y249	A172-A245 HydrophobicContact CB-CB 3.56Å; F240-A245 HydrophobicContact CB-CB 4.28Å; F240-A245 PolarHBondContact O-N 3.31Å; L243-A245 VanDerWaalsContact C-N 3.33Å; A245-Y249 HydrophobicContact CB-CD2 4.04Å; A245-Y249 HydrophobicContact CB-CG 3.97Å
246	S	90.4	Very high	85.5	Confident	70 Å²	70	63.6 Å²	63.6	49%	0.49	36%	0.362	S	S	.	.			trans	-61.2	143	171.9	-178.6	0	0	0	0	110.6	F240 N248 Y249	F240-S246 WeakPolarHBondContact CB-O 3.33Å; S246-N248 PolarHBondContact O-N 3Å; S246-Y249 WeakPolarHBondContact O-CB 3.37Å; S246-Y249 PolarHBondContact O-N 2.99Å
247	P	88	Confident	83.6	Confident	46 Å²	46	73.4 Å²	73.4	30%	0.299	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.4	175.3	-25.9	33.7	0	0	0	113.8	K237 E241	K237-P247 HydrophobicContact CB-CB 4.11Å; K237-P247 HydrophobicContact CG-CB 4.06Å; E241-P247 HydrophobicContact CG-CB 4.48Å; E241-P247 HydrophobicContact CG-CG 3.9Å; E241-P247 WeakPolarHBondContact OE1-CG 3.42Å
248	N	86.9	Confident	81.7	Confident	120 Å²	120	76.5 Å²	76.5	64%	0.642	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	23.3	178.9	-58.5	-34.5	0	0	0	112.6	S246	S246-N248 PolarHBondContact O-N 3Å
249	Y	89.1	Confident	79.7	Confident	71 Å²	71	76.2 Å²	76.2	28%	0.278	42%	0.423	S	S	.	.			trans	-61.1	138.4	179.2	-176.4	-96.8	0	0	0	111.5	A172 F240 A245 S246 V251	A172-Y249 HydrophobicContact CB-CD1 3.85Å; A172-Y249 HydrophobicContact CB-CE1 3.53Å; A172-Y249 HydrophobicContact CB-CE2 4.24Å; A172-Y249 HydrophobicContact CB-CG 4.31Å; A172-Y249 PolarHBondContact O-OH 2.94Å; F240-Y249 AromaticContact CD1-CD1 3.96Å; F240-Y249 HydrophobicContact CD1-CD1 3.96Å; F240-Y249 HydrophobicContact CD1-CG 4.47Å; F240-Y249 AromaticContact CE1-CD1 3.87Å; F240-Y249 HydrophobicContact CE1-CD1 3.87Å; F240-Y249 VanDerWaalsContact CE2-O 3.26Å; F240-Y249 WeakPolarHBondContact CE2-O 3.44Å; F240-Y249 HydrophobicContact CZ-CD1 4.44Å; A245-Y249 HydrophobicContact CB-CD2 4.04Å; A245-Y249 HydrophobicContact CB-CG 3.97Å; S246-Y249 WeakPolarHBondContact O-CB 3.37Å; S246-Y249 PolarHBondContact O-N 2.99Å; Y249-V251 HydrophobicContact CD1-CG2 4.25Å; Y249-V251 HydrophobicContact CE1-CG2 3.97Å
250	V	88.3	Confident	77.7	Confident	100 Å²	100	78.9 Å²	78.9	61%	0.606	44%	0.437	S	S	*	.			trans	-117.1	119.6	179.8	-179.1	0	0	0	0	108.9	T252	V250-T252 PolarHBondContact O-N 3.24Å
251	V	88.4	Confident	75.4	Confident	13 Å²	13	80.1 Å²	80.1	8%	0.079	45%	0.445	C	S	.	.			trans	-72.8	117.6	174.8	-177.8	0	0	0	0	109	L175 N177 W192 F240 Y249	L175-V251 HydrophobicContact CB-CG1 3.98Å; L175-V251 HydrophobicContact CB-CG2 3.81Å; L175-V251 HydrophobicContact CD1-CG2 3.82Å; L175-V251 HydrophobicContact CG-CG2 4.49Å; N177-V251 PolarHBondContact ND2-O 2.6Å; W192-V251 HydrophobicContact CH2-CB 4.01Å; W192-V251 HydrophobicContact CH2-CG1 4.06Å; W192-V251 HydrophobicContact CH2-CG2 3.71Å; W192-V251 HydrophobicContact CZ2-CB 4.2Å; W192-V251 HydrophobicContact CZ2-CG2 3.67Å; F240-V251 HydrophobicContact CE1-CG2 4.25Å; F240-V251 HydrophobicContact CZ-CG2 4.48Å; Y249-V251 HydrophobicContact CD1-CG2 4.25Å; Y249-V251 HydrophobicContact CE1-CG2 3.97Å
252	T	86.5	Confident	73.1	Confident	112 Å²	112	79 Å²	79	69%	0.687	44%	0.444	S	S	*	.			trans	-104.5	-17.9	-178.4	54.7	0	0	0	0	113.6	V250 T254	V250-T252 PolarHBondContact O-N 3.24Å; T252-T254 PolarHBondContact O-N 2.7Å
253	K	85.6	Confident	70.8	Confident	110 Å²	110	80.9 Å²	80.9	48%	0.478	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-69.7	124	179.5	-64.3	-177.9	-179.3	-178.1	0	109.7	E173 N176 N177	E173-K253 WeakPolarHBondContact O-CE 3.37Å; E173-K253 PolarHBondContact O-NZ 3.43Å; N176-K253 CarbonylContact C-O 3.53Å; N176-K253 VanDerWaalsContact CA-O 3.3Å; N176-K253 WeakPolarHBondContact CA-O 3.34Å; N176-K253 HydrophobicContact CB-CB 4.02Å; N177-K253 PolarHBondContact N-O 2.96Å
254	T	76.6	Confident	68.4	Low	95 Å²	95	85.1 Å²	85.1	58%	0.583	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-89.2	160.8	167.1	56.2	0	0	0	0	109.6	T252 T256	T252-T254 PolarHBondContact O-N 2.7Å; T254-T256 PolarHBondContact O-N 3.38Å
255	D	66.7	Low	66.3	Low	45 Å²	45	88 Å²	88	24%	0.241	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-57.4	141.2	173.3	-159.2	4.7	0	0	0	110.1	K158 K257	K158-D255 IonicContact NZ-OD1 3.89Å; K158-D255 PolarHBondContact NZ-OD1 3.49Å; K158-D255 IonicContact NZ-OD2 3.4Å; K158-D255 PolarHBondContact NZ-OD2 2.72Å; K158-D255 VanDerWaalsContact NZ-OD2 3.09Å; D255-K257 PolarHBondContact O-N 3.22Å
256	T	55.6	Low	63.8	Low	100 Å²	100	93.5 Å²	93.5	61%	0.613	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-68	130.2	177.9	40.7	0	0	0	0	108.6	T254 E258	T254-T256 PolarHBondContact O-N 3.38Å; T256-E258 PolarHBondContact O-N 3.37Å
257	K	46.4	Very low	61.2	Low	212 Å²	212	95.1 Å²	95.1	92%	0.922	48%	0.481	S	S	*	.			trans	-63.9	30.2	-178.2	-65.9	-177.6	174.2	-179.9	0	115.2	D255 N259	D255-K257 PolarHBondContact O-N 3.22Å; K257-N259 PolarHBondContact O-N 2.87Å; K257-N259 VanDerWaalsContact O-N 3.15Å
258	E	48.7	Very low	58.4	Low	139 Å²	139	98.2 Å²	98.2	65%	0.65	50%	0.495	S	S	*	.			trans	-75.5	101.8	161.5	-74.9	-176.9	167.1	0	0	106.2	T256 D260	T256-E258 PolarHBondContact O-N 3.37Å; E258-D260 VanDerWaalsContact C-N 3.29Å; E258-D260 PolarHBondContact O-N 3.34Å
259	N	47.5	Very low	56	Low	113 Å²	113	101 Å²	101	60%	0.604	50%	0.502	S	S	*	.			trans	-59.6	99.9	166.2	-99.3	-19.8	0	0	0	106.3	K257 V261 V262 H263	K257-N259 PolarHBondContact O-N 2.87Å; K257-N259 VanDerWaalsContact O-N 3.15Å; N259-V261 PolarHBondContact O-N 2.89Å; N259-V262 HydrophobicContact CB-CB 3.8Å; N259-V262 HydrophobicContact CB-CG2 3.61Å; N259-V262 PolarHBondContact O-N 3.14Å; N259-H263 PolarHBondContact O-N 3.13Å; N259-H263 VanDerWaalsContact O-N 3.1Å
260	D	48.4	Very low	53.8	Low	55 Å²	55	104.1 Å²	104.1	29%	0.294	52%	0.522	S	S	.	.	H	α-helix	trans	-45.7	-36.5	177.5	-72	-19.4	0	0	0	111	E258 E264	E258-D260 VanDerWaalsContact C-N 3.29Å; E258-D260 PolarHBondContact O-N 3.34Å; D260-E264 WeakPolarHBondContact O-CB 3.37Å; D260-E264 VanDerWaalsContact O-CG 3.26Å; D260-E264 WeakPolarHBondContact O-CG 3.36Å; D260-E264 PolarHBondContact O-N 2.85Å
261	V	44	Very low	52	Low	39 Å²	39	101.1 Å²	101.1	24%	0.236	50%	0.504	C	S	.	.	H	α-helix	trans	-72.5	-29.3	179.6	-176.4	0	0	0	0	113.7	N259 R265	N259-V261 PolarHBondContact O-N 2.89Å; V261-R265 VanDerWaalsContact O-CB 3.29Å; V261-R265 WeakPolarHBondContact O-CB 3.39Å; V261-R265 WeakPolarHBondContact O-CG 3.23Å; V261-R265 PolarHBondContact O-N 3.29Å; V261-R265 VanDerWaalsContact O-N 3.13Å
262	V	43.8	Very low	50.7	Low	60 Å²	60	104.2 Å²	104.2	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-81.5	-39.7	177.5	175.6	0	0	0	0	110.2	N259 E264 R265 E266	N259-V262 HydrophobicContact CB-CB 3.8Å; N259-V262 HydrophobicContact CB-CG2 3.61Å; N259-V262 PolarHBondContact O-N 3.14Å; V262-E264 VanDerWaalsContact C-N 3.3Å; V262-E264 PolarHBondContact O-N 3.08Å; V262-R265 PolarHBondContact O-N 3.22Å; V262-R265 VanDerWaalsContact O-N 3.15Å; V262-E266 HydrophobicContact CG1-CG 4.16Å; V262-E266 WeakPolarHBondContact O-CB 3.34Å; V262-E266 WeakPolarHBondContact O-CG 3.36Å; V262-E266 PolarHBondContact O-N 2.9Å
263	H	39.5	Very low	49.7	Very low	89 Å²	89	98.9 Å²	98.9	41%	0.412	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-37.8	172.2	-171.9	77	0	0	0	112	N259	N259-H263 PolarHBondContact O-N 3.13Å; N259-H263 VanDerWaalsContact O-N 3.1Å
264	E	41	Very low	49	Very low	100 Å²	100	94.4 Å²	94.4	47%	0.467	47%	0.465	S	S	.	.	H	α-helix	trans	-70.3	-31.1	173.1	-75.9	177.9	177.5	0	0	113.2	R161 D260 V262	R161-E264 IonicContact NH1-OE2 3.83Å; D260-E264 WeakPolarHBondContact O-CB 3.37Å; D260-E264 VanDerWaalsContact O-CG 3.26Å; D260-E264 WeakPolarHBondContact O-CG 3.36Å; D260-E264 PolarHBondContact O-N 2.85Å; V262-E264 VanDerWaalsContact C-N 3.3Å; V262-E264 PolarHBondContact O-N 3.08Å
265	R	40.2	Very low	48.8	Very low	135 Å²	135	94.7 Å²	94.7	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-83.1	-31.3	-178.7	-82.1	176.1	172.7	-179.3	-5.3	114.1	V261 V262 Q267 E410	V261-R265 VanDerWaalsContact O-CB 3.29Å; V261-R265 WeakPolarHBondContact O-CB 3.39Å; V261-R265 WeakPolarHBondContact O-CG 3.23Å; V261-R265 PolarHBondContact O-N 3.29Å; V261-R265 VanDerWaalsContact O-N 3.13Å; V262-R265 PolarHBondContact O-N 3.22Å; V262-R265 VanDerWaalsContact O-N 3.15Å; R265-Q267 VanDerWaalsContact C-N 3.29Å; R265-Q267 PolarHBondContact O-N 3.27Å; R265-E410 IonicContact NH2-OE1 3.05Å; R265-E410 PolarHBondContact NH2-OE1 2.81Å; R265-E410 VanDerWaalsContact NH2-OE1 3.16Å
266	E	37.6	Very low	49	Very low	139 Å²	139	93.3 Å²	93.3	65%	0.65	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.5	-176	-75.3	177.2	166	0	0	114.2	V262	V262-E266 HydrophobicContact CG1-CG 4.16Å; V262-E266 WeakPolarHBondContact O-CB 3.34Å; V262-E266 WeakPolarHBondContact O-CG 3.36Å; V262-E266 PolarHBondContact O-N 2.9Å
267	Q	36	Very low	49.6	Very low	105 Å²	105	89.8 Å²	89.8	49%	0.491	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.9	177.7	-66.7	-161.8	5.7	0	0	115	R265 F269	R265-Q267 VanDerWaalsContact C-N 3.29Å; R265-Q267 PolarHBondContact O-N 3.27Å; Q267-F269 PolarHBondContact O-N 3.15Å
268	N	30	Very low	50.5	Low	111 Å²	111	83 Å²	83	59%	0.594	40%	0.401	S	S	*	.			trans	-89.2	80.3	177.9	-80.9	-24.5	0	0	0	111.8
269	F	36.1	Very low	51.1	Low	178 Å²	178	82.4 Å²	82.4	78%	0.781	41%	0.407	S	S	*	.			trans	-138.7	131.3	169.8	-76.8	-82.3	0	0	0	112.9	Q267	Q267-F269 PolarHBondContact O-N 3.15Å
270	L	42.9	Very low	51.6	Low	136 Å²	136	81.5 Å²	81.5	71%	0.712	41%	0.406	S	S	*	.			trans	46.4	94.7	166.1	-63.6	168.9	0	0	0	117.7	K272	L270-K272 PolarHBondContact O-N 2.97Å
271	T	50.7	Low	52.1	Low	37 Å²	37	82.8 Å²	82.8	23%	0.227	43%	0.432	C	S	.	.			trans	-44.4	128.4	153.6	-83.8	0	0	0	0	112.3	L291 F304	T271-L291 HydrophobicContact CG2-CD2 4.31Å; T271-F304 HydrophobicContact CG2-CE1 4.42Å; T271-F304 HydrophobicContact CG2-CE2 3.23Å; T271-F304 HydrophobicContact CG2-CZ 3.13Å
272	K	60.4	Low	53.1	Low	78 Å²	78	82.7 Å²	82.7	34%	0.339	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.5	175.1	-69.4	177.1	172	-127.9	0	112	L270 F274 E287 F304 G305	L270-K272 PolarHBondContact O-N 2.97Å; K272-F274 HydrophobicContact CB-CD2 4.35Å; K272-F274 HydrophobicContact CB-CE2 3.59Å; K272-F274 HydrophobicContact CB-CZ 4.21Å; K272-F274 HydrophobicContact CD-CE2 4.25Å; K272-F274 HydrophobicContact CD-CZ 4.13Å; K272-E287 VanDerWaalsContact CD-OE1 3.25Å; K272-E287 WeakPolarHBondContact CD-OE1 3.37Å; K272-E287 WeakPolarHBondContact CE-OE1 3.36Å; K272-E287 IonicContact NZ-OE1 3.39Å; K272-E287 PolarHBondContact NZ-OE1 3.41Å; K272-E287 IonicContact NZ-OE2 3.73Å; K272-F304 VanDerWaalsContact O-CD2 3.27Å; K272-F304 WeakPolarHBondContact O-CD2 3.44Å; K272-G305 PolarHBondContact O-N 3.16Å
273	L	66	Low	54.3	Low	1 Å²	1	82.6 Å²	82.6	1%	0.005	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.5	173.4	-174.9	69.7	0	0	0	109.9	E287 I288 L293 D297 A302 H303 F304 F360	L273-E287 CarbonylContact O-C 3.51Å; L273-E287 WeakPolarHBondContact O-CA 3.5Å; L273-I288 HydrophobicContact CB-CB 4.16Å; L273-I288 HydrophobicContact CD2-CB 3.99Å; L273-I288 HydrophobicContact CD2-CD1 3.59Å; L273-I288 HydrophobicContact CD2-CG1 4.33Å; L273-I288 HydrophobicContact CD2-CG2 4.13Å; L273-I288 HydrophobicContact CG-CB 4.19Å; L273-I288 HydrophobicContact CG-CD1 4.03Å; L273-I288 PolarHBondContact O-N 2.93Å; L273-L293 HydrophobicContact CB-CD1 3.82Å; L273-L293 HydrophobicContact CB-CD2 3.9Å; L273-L293 HydrophobicContact CD2-CD1 4.25Å; L273-L293 HydrophobicContact CD2-CD2 3.58Å; L273-L293 HydrophobicContact CG-CD1 4.46Å; L273-L293 HydrophobicContact CG-CD2 4.36Å; L273-D297 HydrophobicContact CD2-CB 4.17Å; L273-A302 HydrophobicContact CD1-CB 4.29Å; L273-H303 WeakPolarHBondContact CD1-O 3.2Å; L273-F304 HydrophobicContact CB-CD2 3.92Å; L273-F304 HydrophobicContact CD1-CB 3.62Å; L273-F304 HydrophobicContact CD1-CD2 3.81Å; L273-F304 HydrophobicContact CD1-CG 4.18Å; L273-F304 HydrophobicContact CG-CD2 4.49Å; L273-F360 HydrophobicContact CD1-CE1 4.45Å; L273-F360 HydrophobicContact CD1-CZ 4.15Å; L273-F360 HydrophobicContact CD2-CE1 4.37Å
274	F	70.2	Confident	55.7	Low	16 Å²	16	83.3 Å²	83.3	7%	0.07	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.6	176.3	-64.9	-95	0	0	0	110	K272 F285 K286 E287 H303 F332 H336	K272-F274 HydrophobicContact CB-CD2 4.35Å; K272-F274 HydrophobicContact CB-CE2 3.59Å; K272-F274 HydrophobicContact CB-CZ 4.21Å; K272-F274 HydrophobicContact CD-CE2 4.25Å; K272-F274 HydrophobicContact CD-CZ 4.13Å; F274-F285 HydrophobicContact CD1-CB 4.37Å; F274-K286 CarbonylContact C-O 3.55Å; F274-K286 WeakPolarHBondContact CA-O 3.02Å; F274-E287 HydrophobicContact CD1-CB 3.95Å; F274-E287 HydrophobicContact CD1-CG 4.34Å; F274-E287 HydrophobicContact CE1-CB 3.81Å; F274-E287 HydrophobicContact CE1-CG 3.96Å; F274-E287 HydrophobicContact CZ-CG 4.21Å; F274-H303 PolarHBondContact N-O 2.68Å; F274-H303 PolarHBondContact O-N 3.48Å; F274-F332 HydrophobicContact CB-CE2 4.3Å; F274-F332 AromaticContact CD1-CE2 3.96Å; F274-F332 HydrophobicContact CD1-CE2 3.96Å; F274-F332 AromaticContact CD2-CE2 3.72Å; F274-F332 HydrophobicContact CD2-CE2 3.72Å; F274-F332 AromaticContact CD2-CZ 3.61Å; F274-F332 HydrophobicContact CD2-CZ 3.61Å; F274-F332 HydrophobicContact CE1-CE2 4.16Å; F274-F332 HydrophobicContact CE1-CZ 4.48Å; F274-F332 AromaticContact CE2-CE2 3.95Å; F274-F332 HydrophobicContact CE2-CE2 3.95Å; F274-F332 AromaticContact CE2-CZ 3.55Å; F274-F332 HydrophobicContact CE2-CZ 3.55Å; F274-F332 AromaticContact CG-CE2 3.73Å; F274-F332 HydrophobicContact CG-CE2 3.73Å; F274-F332 HydrophobicContact CG-CZ 4.12Å; F274-F332 HydrophobicContact CZ-CE2 4.16Å; F274-F332 HydrophobicContact CZ-CZ 4.01Å; F274-H336 AromaticContact CE1-NE2 3.74Å
275	R	72.3	Confident	57.2	Low	101 Å²	101	81.1 Å²	81.1	38%	0.381	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.4	166	-176.3	-175.9	176.4	163.1	-6.9	109.8	F285 K286 I288 D299	R275-F285 WeakPolarHBondContact O-CA 2.79Å; R275-K286 HydrophobicContact CB-CB 4.48Å; R275-K286 PolarHBondContact N-O 3.04Å; R275-K286 PolarHBondContact O-N 2.98Å; R275-I288 HydrophobicContact CB-CD1 4.28Å; R275-D299 WeakPolarHBondContact CD-OD2 3.36Å; R275-D299 IonicContact CZ-OD1 3.42Å; R275-D299 IonicContact CZ-OD2 3.89Å; R275-D299 IonicContact NE-OD1 2.91Å; R275-D299 PolarHBondContact NE-OD1 3.48Å; R275-D299 IonicContact NE-OD2 3.77Å; R275-D299 PolarHBondContact NE-OD2 2.83Å; R275-D299 IonicContact NH1-OD2 2.77Å; R275-D299 PolarHBondContact NH1-OD2 3.26Å; R275-D299 IonicContact NH2-OD2 3.74Å
276	V	71.3	Confident	58.9	Low	15 Å²	15	81.7 Å²	81.7	9%	0.091	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.5	171.7	-178.5	0	0	0	0	110	I283 Q284 F285 N301 H303 T328	V276-I283 HydrophobicContact CG1-CG2 3.75Å; V276-Q284 WeakPolarHBondContact CA-O 3.33Å; V276-F285 HydrophobicContact CG2-CD1 3.62Å; V276-F285 HydrophobicContact CG2-CE1 3.66Å; V276-N301 PolarHBondContact N-O 3.06Å; V276-N301 WeakPolarHBondContact O-CB 3.46Å; V276-H303 WeakPolarHBondContact CG2-CD2 3.11Å; V276-T328 HydrophobicContact CG1-CG2 3.88Å; V276-T328 HydrophobicContact CG2-CG2 4.2Å
277	S	67.7	Low	60.6	Low	27 Å²	27	78.1 Å²	78.1	19%	0.189	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	145.2	169.5	66.1	0	0	0	0	111	Q284	S277-Q284 PolarHBondContact N-O 3.36Å; S277-Q284 VanDerWaalsContact N-O 3.15Å; S277-Q284 PolarHBondContact O-N 3.19Å
278	D	66.9	Low	62.2	Low	68 Å²	68	75 Å²	75	36%	0.364	40%	0.404	S	S	.	.			trans	-105.2	7.4	176.9	69.7	-9.8	0	0	0	113.1	T280 G281	D278-T280 PolarHBondContact O-N 3.03Å; D278-G281 PolarHBondContact O-N 2.76Å
279	V	61.2	Low	63.6	Low	127 Å²	127	76 Å²	76	77%	0.77	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-21.6	-171.1	-178.1	0	0	0	0	113.6
280	T	56.8	Low	64.8	Low	94 Å²	94	71.2 Å²	71.2	58%	0.577	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	7.2	-179.8	59.7	0	0	0	0	114.4	D278 G282 Q284	D278-T280 PolarHBondContact O-N 3.03Å; T280-G282 PolarHBondContact O-N 2.95Å; T280-G282 PolarHBondContact OG1-O 3.38Å; T280-Q284 PolarHBondContact OG1-NE2 2.75Å; T280-Q284 VanDerWaalsContact OG1-NE2 3.08Å
281	G	58.7	Low	65.3	Low	82 Å²	82	70.6 Å²	70.6	85%	0.845	39%	0.385	S	S	*	.	S	Bend	trans	81.6	-3.4	-173.9	0	0	0	0	0	114.2	D278	D278-G281 PolarHBondContact O-N 2.76Å
282	G	65	Low	65.5	Low	37 Å²	37	72.5 Å²	72.5	38%	0.381	40%	0.398	S	S	.	.	S	Bend	trans	-131.8	152.1	170.2	0	0	0	0	0	111	T280 Q284	T280-G282 PolarHBondContact O-N 2.95Å; T280-G282 PolarHBondContact OG1-O 3.38Å; G282-Q284 PolarHBondContact O-N 3.46Å
283	I	69	Low	65.6	Low	59 Å²	59	68.9 Å²	68.9	30%	0.303	38%	0.383	S	S	.	.			trans	-70.1	121.2	178	-62.5	170.2	0	0	0	108.6	V276 F285 T328	V276-I283 HydrophobicContact CG1-CG2 3.75Å; I283-F285 HydrophobicContact CG2-CE1 4.03Å; I283-F285 HydrophobicContact CG2-CE2 4.02Å; I283-F285 HydrophobicContact CG2-CZ 3.65Å; I283-T328 HydrophobicContact CD1-CG2 4.39Å; I283-T328 WeakPolarHBondContact CD1-OG1 3.38Å; I283-T328 HydrophobicContact CG2-CG2 3.96Å
284	Q	69.2	Low	65.6	Low	104 Å²	104	72.6 Å²	72.6	49%	0.486	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.9	173	-63.8	-169.2	1	0	0	111.1	V276 S277 T280 G282	V276-Q284 WeakPolarHBondContact CA-O 3.33Å; S277-Q284 PolarHBondContact N-O 3.36Å; S277-Q284 VanDerWaalsContact N-O 3.15Å; S277-Q284 PolarHBondContact O-N 3.19Å; T280-Q284 PolarHBondContact OG1-NE2 2.75Å; T280-Q284 VanDerWaalsContact OG1-NE2 3.08Å; G282-Q284 PolarHBondContact O-N 3.46Å
285	F	73.7	Confident	65.6	Low	53 Å²	53	76.7 Å²	76.7	23%	0.232	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.7	174.3	-56.8	-75.8	0	0	0	109.7	F274 R275 V276 I283 T328 F332	F274-F285 HydrophobicContact CD1-CB 4.37Å; R275-F285 WeakPolarHBondContact O-CA 2.79Å; V276-F285 HydrophobicContact CG2-CD1 3.62Å; V276-F285 HydrophobicContact CG2-CE1 3.66Å; I283-F285 HydrophobicContact CG2-CE1 4.03Å; I283-F285 HydrophobicContact CG2-CE2 4.02Å; I283-F285 HydrophobicContact CG2-CZ 3.65Å; F285-T328 HydrophobicContact CE1-CG2 3.95Å; F285-T328 HydrophobicContact CZ-CG2 4.16Å; F285-F332 AromaticContact CD1-CD2 3.53Å; F285-F332 HydrophobicContact CD1-CD2 3.53Å; F285-F332 HydrophobicContact CD1-CE2 4.2Å; F285-F332 HydrophobicContact CD2-CD2 4.4Å; F285-F332 HydrophobicContact CE1-CB 3.82Å; F285-F332 AromaticContact CE1-CD2 3.57Å; F285-F332 HydrophobicContact CE1-CD2 3.57Å; F285-F332 HydrophobicContact CE1-CG 4.15Å; F285-F332 HydrophobicContact CE2-CB 4.45Å; F285-F332 HydrophobicContact CE2-CD2 4.42Å; F285-F332 AromaticContact CG-CD2 3.98Å; F285-F332 HydrophobicContact CG-CD2 3.98Å; F285-F332 HydrophobicContact CZ-CB 3.72Å; F285-F332 HydrophobicContact CZ-CD2 4.04Å; F285-F332 HydrophobicContact CZ-CG 4.39Å
286	K	75.9	Confident	65.7	Low	147 Å²	147	76 Å²	76	64%	0.639	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.1	174.7	-178.2	-179.4	178.1	-178.2	0	109.6	F274 R275	F274-K286 CarbonylContact C-O 3.55Å; F274-K286 WeakPolarHBondContact CA-O 3.02Å; R275-K286 HydrophobicContact CB-CB 4.48Å; R275-K286 PolarHBondContact N-O 3.04Å; R275-K286 PolarHBondContact O-N 2.98Å
287	E	72.6	Confident	65.6	Low	64 Å²	64	76.6 Å²	76.6	30%	0.299	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.5	176.2	-166.6	176.6	-164.3	0	0	110.8	K272 L273 F274 N289	K272-E287 VanDerWaalsContact CD-OE1 3.25Å; K272-E287 WeakPolarHBondContact CD-OE1 3.37Å; K272-E287 WeakPolarHBondContact CE-OE1 3.36Å; K272-E287 IonicContact NZ-OE1 3.39Å; K272-E287 PolarHBondContact NZ-OE1 3.41Å; K272-E287 IonicContact NZ-OE2 3.73Å; L273-E287 CarbonylContact O-C 3.51Å; L273-E287 WeakPolarHBondContact O-CA 3.5Å; F274-E287 HydrophobicContact CD1-CB 3.95Å; F274-E287 HydrophobicContact CD1-CG 4.34Å; F274-E287 HydrophobicContact CE1-CB 3.81Å; F274-E287 HydrophobicContact CE1-CG 3.96Å; F274-E287 HydrophobicContact CZ-CG 4.21Å; E287-N289 VanDerWaalsContact CG-OD1 3.27Å; E287-N289 WeakPolarHBondContact CG-OD1 3.27Å; E287-N289 PolarHBondContact OE1-OD1 3.46Å
288	I	69.2	Low	65.7	Low	39 Å²	39	76.2 Å²	76.2	20%	0.2	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	96.2	171.7	-62.5	174	0	0	0	106.8	L273 R275 K290 L293	L273-I288 HydrophobicContact CB-CB 4.16Å; L273-I288 HydrophobicContact CD2-CB 3.99Å; L273-I288 HydrophobicContact CD2-CD1 3.59Å; L273-I288 HydrophobicContact CD2-CG1 4.33Å; L273-I288 HydrophobicContact CD2-CG2 4.13Å; L273-I288 HydrophobicContact CG-CB 4.19Å; L273-I288 HydrophobicContact CG-CD1 4.03Å; L273-I288 PolarHBondContact O-N 2.93Å; R275-I288 HydrophobicContact CB-CD1 4.28Å; I288-K290 HydrophobicContact CG2-CB 4.14Å; I288-K290 PolarHBondContact O-N 2.9Å; I288-L293 HydrophobicContact CG2-CD2 4.4Å
289	N	60.3	Low	65.5	Low	134 Å²	134	75 Å²	75	72%	0.717	42%	0.418	S	S	*	.			trans	-83.4	57.4	-179.7	-72.5	-39.5	0	0	0	111.7	E287	E287-N289 VanDerWaalsContact CG-OD1 3.27Å; E287-N289 WeakPolarHBondContact CG-OD1 3.27Å; E287-N289 PolarHBondContact OE1-OD1 3.46Å
290	K	59.9	Low	64.9	Low	76 Å²	76	69.6 Å²	69.6	33%	0.33	39%	0.386	S	S	.	.			trans	-125.5	127.4	176.7	-174.7	-176.1	167.4	-154.8	0	109.2	I288 L293 E294 D297	I288-K290 HydrophobicContact CG2-CB 4.14Å; I288-K290 PolarHBondContact O-N 2.9Å; K290-L293 WeakPolarHBondContact O-CD2 3.33Å; K290-E294 WeakPolarHBondContact CE-OE1 3.43Å; K290-E294 IonicContact NZ-OE1 3.72Å; K290-E294 PolarHBondContact NZ-OE1 2.95Å; K290-E294 IonicContact NZ-OE2 3.65Å; K290-D297 IonicContact NZ-OD1 2.8Å; K290-D297 PolarHBondContact NZ-OD1 3.38Å; K290-D297 VanDerWaalsContact NZ-OD1 3.12Å; K290-D297 IonicContact NZ-OD2 2.93Å; K290-D297 PolarHBondContact NZ-OD2 2.74Å
291	L	53.6	Low	64.5	Low	124 Å²	124	66.4 Å²	66.4	65%	0.649	37%	0.365	S	S	*	.	S	Bend	trans	-133.3	139.7	170.6	-72.8	171.9	0	0	0	108.6	T271 L293	T271-L291 HydrophobicContact CG2-CD2 4.31Å; L291-L293 HydrophobicContact CD2-CG 4.3Å
292	P	54.8	Low	63.7	Low	77 Å²	77	62.5 Å²	62.5	50%	0.5	33%	0.325	S	S	.	.	S	Bend	cis	-67.4	150.4	-7.6	30.7	-34.9	0	0	0	111.3	L361	P292-L361 HydrophobicContact CB-CD1 3.78Å; P292-L361 HydrophobicContact CB-CG 3.96Å; P292-L361 HydrophobicContact CG-CD1 3.4Å; P292-L361 VanDerWaalsContact CG-CD1 3.4Å; P292-L361 HydrophobicContact CG-CG 4.16Å
293	L	63.9	Low	63	Low	2 Å²	2	61.9 Å²	61.9	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	137.4	172.8	-66.8	170.7	0	0	0	109.5	L273 I288 K290 L291 F304 F360 L361	L273-L293 HydrophobicContact CB-CD1 3.82Å; L273-L293 HydrophobicContact CB-CD2 3.9Å; L273-L293 HydrophobicContact CD2-CD1 4.25Å; L273-L293 HydrophobicContact CD2-CD2 3.58Å; L273-L293 HydrophobicContact CG-CD1 4.46Å; L273-L293 HydrophobicContact CG-CD2 4.36Å; I288-L293 HydrophobicContact CG2-CD2 4.4Å; K290-L293 WeakPolarHBondContact O-CD2 3.33Å; L291-L293 HydrophobicContact CD2-CG 4.3Å; L293-F304 HydrophobicContact CD1-CD2 3.59Å; L293-F304 HydrophobicContact CD1-CE2 3.25Å; L293-F304 HydrophobicContact CD1-CZ 4.26Å; L293-F360 HydrophobicContact CB-CD1 3.54Å; L293-F360 HydrophobicContact CB-CE1 3.84Å; L293-F360 HydrophobicContact CB-CG 4.29Å; L293-F360 HydrophobicContact CD1-CD1 4.48Å; L293-F360 HydrophobicContact CD1-CE1 4.06Å; L293-F360 HydrophobicContact CD1-CZ 4.37Å; L293-F360 HydrophobicContact CG-CE1 4.49Å; L293-F360 CarbonylContact O-C 3.58Å; L293-F360 VanDerWaalsContact O-CA 3.29Å; L293-F360 WeakPolarHBondContact O-CA 3.18Å; L293-L361 PolarHBondContact O-N 2.95Å
294	E	65.7	Low	61.8	Low	78 Å²	78	59.1 Å²	59.1	36%	0.364	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	155.5	174	-69.2	168.4	-139.8	0	0	110.2	K290 S296 D297 F360	K290-E294 WeakPolarHBondContact CE-OE1 3.43Å; K290-E294 IonicContact NZ-OE1 3.72Å; K290-E294 PolarHBondContact NZ-OE1 2.95Å; K290-E294 IonicContact NZ-OE2 3.65Å; E294-S296 WeakPolarHBondContact CB-OG 3.24Å; E294-S296 PolarHBondContact O-N 3.47Å; E294-S296 VanDerWaalsContact O-N 3.09Å; E294-S296 PolarHBondContact OE2-OG 2.8Å; E294-D297 PolarHBondContact N-OD2 3.46Å; E294-D297 WeakPolarHBondContact O-CB 3.43Å; E294-D297 PolarHBondContact O-N 3.36Å; E294-F360 WeakPolarHBondContact O-CD1 3.5Å
295	R	70.7	Confident	60.4	Low	102 Å²	102	55.2 Å²	55.2	39%	0.385	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-53.7	-31.4	172.2	-178.4	-179	-177.2	-144.6	1.9	112.5	D297 L298 L361 W362 P363	R295-D297 PolarHBondContact O-N 2.83Å; R295-L298 WeakPolarHBondContact O-CB 3.36Å; R295-L298 PolarHBondContact O-N 3.43Å; R295-L361 PolarHBondContact N-O 2.88Å; R295-W362 HydrophobicContact CB-CD2 4.48Å; R295-W362 HydrophobicContact CB-CE3 4.06Å; R295-W362 HydrophobicContact CB-CZ3 4.24Å; R295-W362 HydrophobicContact CG-CD2 4.36Å; R295-W362 HydrophobicContact CG-CE3 4.01Å; R295-W362 HydrophobicContact CG-CH2 3.94Å; R295-W362 HydrophobicContact CG-CZ2 4.29Å; R295-W362 HydrophobicContact CG-CZ3 3.79Å; R295-P363 HydrophobicContact CB-CG 4.4Å
296	S	73	Confident	59.2	Low	87 Å²	87	55.6 Å²	55.6	61%	0.608	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-65.6	-21.8	176.8	49.6	0	0	0	0	113.6	E294 L298	E294-S296 WeakPolarHBondContact CB-OG 3.24Å; E294-S296 PolarHBondContact O-N 3.47Å; E294-S296 VanDerWaalsContact O-N 3.09Å; E294-S296 PolarHBondContact OE2-OG 2.8Å; S296-L298 PolarHBondContact O-N 3.11Å
297	D	70.2	Confident	57.9	Low	27 Å²	27	53.4 Å²	53.4	14%	0.144	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-76.2	-12.2	176.9	-58.7	-41.5	0	0	0	111.7	L273 K290 E294 R295 D299	L273-D297 HydrophobicContact CD2-CB 4.17Å; K290-D297 IonicContact NZ-OD1 2.8Å; K290-D297 PolarHBondContact NZ-OD1 3.38Å; K290-D297 VanDerWaalsContact NZ-OD1 3.12Å; K290-D297 IonicContact NZ-OD2 2.93Å; K290-D297 PolarHBondContact NZ-OD2 2.74Å; E294-D297 PolarHBondContact N-OD2 3.46Å; E294-D297 WeakPolarHBondContact O-CB 3.43Å; E294-D297 PolarHBondContact O-N 3.36Å; R295-D297 PolarHBondContact O-N 2.83Å; D297-D299 PolarHBondContact O-N 2.77Å; D297-D299 VanDerWaalsContact O-N 3.13Å
298	L	69.3	Low	57.3	Low	20 Å²	20	50.9 Å²	50.9	11%	0.105	28%	0.279	C	S	.	.			trans	-78.4	88.4	166.7	-62.4	171	0	0	0	109.4	R295 S296 A302 W312 F356 F360 W362	R295-L298 WeakPolarHBondContact O-CB 3.36Å; R295-L298 PolarHBondContact O-N 3.43Å; S296-L298 PolarHBondContact O-N 3.11Å; L298-A302 HydrophobicContact CD2-CB 3.99Å; L298-W312 HydrophobicContact CB-CH2 4.17Å; L298-W312 HydrophobicContact CB-CZ2 4.16Å; L298-W312 HydrophobicContact CB-CZ3 4.36Å; L298-W312 HydrophobicContact CD1-CZ2 4.35Å; L298-W312 HydrophobicContact CD2-CD2 4.21Å; L298-W312 HydrophobicContact CD2-CE3 4.48Å; L298-W312 HydrophobicContact CD2-CG 4.27Å; L298-F356 HydrophobicContact CD1-CE1 3.79Å; L298-F356 HydrophobicContact CD1-CZ 4.03Å; L298-F356 HydrophobicContact CD2-CE1 4.48Å; L298-F356 HydrophobicContact CD2-CZ 3.89Å; L298-F360 HydrophobicContact CD1-CD1 4.45Å; L298-F360 HydrophobicContact CD1-CE1 4.16Å; L298-F360 HydrophobicContact CD1-CE2 4.48Å; L298-F360 HydrophobicContact CD1-CZ 4.2Å; L298-F360 HydrophobicContact CD2-CE1 3.69Å; L298-F360 HydrophobicContact CD2-CE2 4.4Å; L298-F360 HydrophobicContact CD2-CZ 3.53Å; L298-F360 HydrophobicContact CG-CD1 4.32Å; L298-F360 HydrophobicContact CG-CE1 3.73Å; L298-F360 HydrophobicContact CG-CZ 3.99Å; L298-W362 HydrophobicContact CD1-CH2 4.48Å; L298-W362 HydrophobicContact CD1-CZ3 4.02Å
299	D	62.9	Low	57.4	Low	42 Å²	42	49.6 Å²	49.6	23%	0.225	27%	0.272	C	S	.	.			trans	-78.1	164.5	157.7	70.5	40.3	0	0	0	110.2	R275 D297 N301 A302 W312	R275-D299 WeakPolarHBondContact CD-OD2 3.36Å; R275-D299 IonicContact CZ-OD1 3.42Å; R275-D299 IonicContact CZ-OD2 3.89Å; R275-D299 IonicContact NE-OD1 2.91Å; R275-D299 PolarHBondContact NE-OD1 3.48Å; R275-D299 IonicContact NE-OD2 3.77Å; R275-D299 PolarHBondContact NE-OD2 2.83Å; R275-D299 IonicContact NH1-OD2 2.77Å; R275-D299 PolarHBondContact NH1-OD2 3.26Å; R275-D299 IonicContact NH2-OD2 3.74Å; D297-D299 PolarHBondContact O-N 2.77Å; D297-D299 VanDerWaalsContact O-N 3.13Å; D299-N301 PolarHBondContact O-N 3.27Å; D299-N301 PolarHBondContact OD1-N 2.97Å; D299-A302 PolarHBondContact O-N 2.68Å; D299-A302 VanDerWaalsContact O-N 3.14Å; D299-W312 WeakPolarHBondContact O-CZ3 3.47Å
300	S	49.3	Very low	58	Low	14 Å²	14	43.3 Å²	43.3	10%	0.098	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-6.7	-169.3	-57.2	0	0	0	0	115.6	G314 R316	S300-G314 VanDerWaalsContact O-CA 3.31Å; S300-G314 WeakPolarHBondContact O-CA 3.38Å; S300-G314 PolarHBondContact O-N 3.11Å; S300-R316 PolarHBondContact OG-NE 3.22Å; S300-R316 VanDerWaalsContact OG-NE 3.07Å; S300-R316 PolarHBondContact OG-NH2 3.38Å
301	N	48.2	Very low	59.1	Low	27 Å²	27	39.7 Å²	39.7	14%	0.144	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	32.9	-178.2	-57.2	-1.8	0	0	0	114.5	V276 D299 E321	V276-N301 PolarHBondContact N-O 3.06Å; V276-N301 WeakPolarHBondContact O-CB 3.46Å; D299-N301 PolarHBondContact O-N 3.27Å; D299-N301 PolarHBondContact OD1-N 2.97Å; N301-E321 PolarHBondContact ND2-OE1 3.1Å
302	A	42	Very low	60.4	Low	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.2	179.9	0	0	0	0	0	114.4	L273 L298 D299 W312	L273-A302 HydrophobicContact CD1-CB 4.29Å; L298-A302 HydrophobicContact CD2-CB 3.99Å; D299-A302 PolarHBondContact O-N 2.68Å; D299-A302 VanDerWaalsContact O-N 3.14Å; A302-W312 CarbonylContact O-C 3.44Å; A302-W312 WeakPolarHBondContact O-CA 3.49Å; A302-W312 VanDerWaalsContact O-CB 3.28Å; A302-W312 WeakPolarHBondContact O-CB 3.47Å; A302-W312 PolarHBondContact O-N 3.26Å
303	H	50.6	Low	61.8	Low	23 Å²	23	30.9 Å²	30.9	11%	0.106	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.4	176.7	-60.4	-17	0	0	0	110.4	L273 F274 V276 F310 V311 W312	L273-H303 WeakPolarHBondContact CD1-O 3.2Å; F274-H303 PolarHBondContact N-O 2.68Å; F274-H303 PolarHBondContact O-N 3.48Å; V276-H303 WeakPolarHBondContact CG2-CD2 3.11Å; H303-F310 CarbonylContact C-O 3.53Å; H303-F310 WeakPolarHBondContact CA-O 3.4Å; H303-F310 WeakPolarHBondContact CB-O 3.25Å; H303-V311 WeakPolarHBondContact CE1-CG1 3.46Å; H303-V311 WeakPolarHBondContact ND1-CA 3.43Å; H303-V311 WeakPolarHBondContact ND1-CG1 3.24Å; H303-V311 WeakPolarHBondContact NE2-CG1 3.31Å; H303-W312 PolarHBondContact CE1-O 2.71Å; H303-W312 PolarHBondContact ND1-N 3.2Å; H303-W312 PolarHBondContact ND1-O 3.46Å
304	F	44.1	Very low	62.6	Low	2 Å²	2	30.9 Å²	30.9	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.5	-165.4	178.8	-100.9	0	0	0	112.8	T271 K272 L273 L293 R306 F310 F356 A359 F360	T271-F304 HydrophobicContact CG2-CE1 4.42Å; T271-F304 HydrophobicContact CG2-CE2 3.23Å; T271-F304 HydrophobicContact CG2-CZ 3.13Å; K272-F304 VanDerWaalsContact O-CD2 3.27Å; K272-F304 WeakPolarHBondContact O-CD2 3.44Å; L273-F304 HydrophobicContact CB-CD2 3.92Å; L273-F304 HydrophobicContact CD1-CB 3.62Å; L273-F304 HydrophobicContact CD1-CD2 3.81Å; L273-F304 HydrophobicContact CD1-CG 4.18Å; L273-F304 HydrophobicContact CG-CD2 4.49Å; L293-F304 HydrophobicContact CD1-CD2 3.59Å; L293-F304 HydrophobicContact CD1-CE2 3.25Å; L293-F304 HydrophobicContact CD1-CZ 4.26Å; F304-R306 HydrophobicContact CE1-CB 3.73Å; F304-R306 HydrophobicContact CZ-CB 4.44Å; F304-F310 HydrophobicContact CB-CB 4.46Å; F304-F310 HydrophobicContact CD1-CD2 4.24Å; F304-F310 PolarHBondContact N-O 3.25Å; F304-F310 CarbonylContact O-C 3.58Å; F304-F310 VanDerWaalsContact O-CA 3.27Å; F304-F310 WeakPolarHBondContact O-CA 3.21Å; F304-F310 VanDerWaalsContact O-CB 3.28Å; F304-F310 WeakPolarHBondContact O-CB 3.39Å; F304-F310 PolarHBondContact O-N 3.2Å; F304-F310 VanDerWaalsContact O-O 3.07Å; F304-F356 HydrophobicContact CB-CE2 4.34Å; F304-A359 HydrophobicContact CD1-CB 3.78Å; F304-A359 HydrophobicContact CE1-CB 3.11Å; F304-A359 HydrophobicContact CE2-CB 4.13Å; F304-A359 HydrophobicContact CZ-CB 3.31Å; F304-F360 HydrophobicContact CB-CZ 4.41Å; F304-F360 HydrophobicContact CD2-CZ 4.41Å; F304-F360 HydrophobicContact CG-CE2 4.46Å; F304-F360 HydrophobicContact CG-CZ 4.32Å
305	G	39	Very low	63.2	Low	22 Å²	22	34.1 Å²	34.1	23%	0.227	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.7	178.8	0	0	0	0	0	115.2	K272 A308	K272-G305 PolarHBondContact O-N 3.16Å; G305-A308 WeakPolarHBondContact CA-O 3.25Å
306	R	48.2	Very low	63.6	Low	61 Å²	61	38.9 Å²	38.9	23%	0.23	20%	0.203	C	C	.	.	S	Bend	trans	-152.4	96.5	173.6	-162.1	-173.8	-179	-163.8	-0	109.8	F304 A308 F310 L355 S358	F304-R306 HydrophobicContact CE1-CB 3.73Å; F304-R306 HydrophobicContact CZ-CB 4.44Å; R306-A308 CarbonylContact C-O 3.56Å; R306-A308 PolarHBondContact N-O 2.95Å; R306-A308 PolarHBondContact O-N 3.37Å; R306-F310 HydrophobicContact CB-CE2 4.32Å; R306-L355 PolarHBondContact NH1-O 3.12Å; R306-S358 PolarHBondContact NH1-O 3.42Å; R306-S358 PolarHBondContact NH1-OG 3.42Å
307	S	49.5	Very low	63.7	Low	101 Å²	101	35.3 Å²	35.3	71%	0.706	18%	0.177	S	C	*	.	S	Bend	trans	57	-21.2	-171.9	-36.4	0	0	0	0	116.2
308	A	58.4	Low	64.1	Low	11 Å²	11	37.4 Å²	37.4	9%	0.091	19%	0.191	C	C	.	.	S	Bend	trans	-139.7	155.9	174.6	0	0	0	0	0	106.6	G305 R306 N343 I345	G305-A308 WeakPolarHBondContact CA-O 3.25Å; R306-A308 CarbonylContact C-O 3.56Å; R306-A308 PolarHBondContact N-O 2.95Å; R306-A308 PolarHBondContact O-N 3.37Å; A308-N343 CarbonylContact C-O 3.54Å; A308-N343 VanDerWaalsContact CA-O 3.25Å; A308-N343 WeakPolarHBondContact CA-O 3.24Å; A308-N343 HydrophobicContact CB-CB 3.89Å; A308-N343 WeakPolarHBondContact CB-O 3.45Å; A308-I345 HydrophobicContact CB-CD1 3.89Å; A308-I345 HydrophobicContact CB-CG1 4.34Å
309	I	70.9	Confident	64.4	Low	12 Å²	12	41.6 Å²	41.6	6%	0.062	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.4	178.6	-62.9	174.7	0	0	0	108.4	F332 L333 Y338 V342 N343 V344 I345	I309-F332 HydrophobicContact CD1-CD1 3.77Å; I309-F332 HydrophobicContact CD1-CE1 3.8Å; I309-L333 HydrophobicContact CD1-CD2 3.3Å; I309-L333 HydrophobicContact CD1-CG 4Å; I309-Y338 HydrophobicContact CD1-CD2 4.29Å; I309-V342 HydrophobicContact CD1-CG1 4.14Å; I309-V342 HydrophobicContact CG1-CG1 3.96Å; I309-N343 PolarHBondContact N-O 3.3Å; I309-V344 HydrophobicContact CB-CG2 4.39Å; I309-V344 CarbonylContact O-C 3.55Å; I309-V344 VanDerWaalsContact O-CA 3.24Å; I309-V344 WeakPolarHBondContact O-CA 3.5Å; I309-I345 PolarHBondContact O-N 3.23Å
310	F	73.5	Confident	65.1	Low	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.1	169.9	-62.9	-94	0	0	0	111.1	H303 F304 R306 I345 V347 P353 L355 F356	H303-F310 CarbonylContact C-O 3.53Å; H303-F310 WeakPolarHBondContact CA-O 3.4Å; H303-F310 WeakPolarHBondContact CB-O 3.25Å; F304-F310 HydrophobicContact CB-CB 4.46Å; F304-F310 HydrophobicContact CD1-CD2 4.24Å; F304-F310 PolarHBondContact N-O 3.25Å; F304-F310 CarbonylContact O-C 3.58Å; F304-F310 VanDerWaalsContact O-CA 3.27Å; F304-F310 WeakPolarHBondContact O-CA 3.21Å; F304-F310 VanDerWaalsContact O-CB 3.28Å; F304-F310 WeakPolarHBondContact O-CB 3.39Å; F304-F310 PolarHBondContact O-N 3.2Å; F304-F310 VanDerWaalsContact O-O 3.07Å; R306-F310 HydrophobicContact CB-CE2 4.32Å; F310-I345 CarbonylContact C-O 3.56Å; F310-I345 VanDerWaalsContact CA-O 3.23Å; F310-I345 WeakPolarHBondContact CA-O 3.5Å; F310-I345 HydrophobicContact CD1-CB 3.7Å; F310-I345 HydrophobicContact CD1-CD1 4.18Å; F310-I345 HydrophobicContact CD1-CG1 4.48Å; F310-I345 HydrophobicContact CD1-CG2 3.76Å; F310-I345 HydrophobicContact CE1-CB 3.93Å; F310-I345 HydrophobicContact CE1-CD1 3.55Å; F310-I345 HydrophobicContact CE1-CG1 4.3Å; F310-I345 HydrophobicContact CE1-CG2 3.82Å; F310-I345 HydrophobicContact CE2-CD1 4.39Å; F310-I345 HydrophobicContact CG-CB 4.37Å; F310-I345 HydrophobicContact CZ-CD1 3.66Å; F310-V347 HydrophobicContact CD1-CG2 3.85Å; F310-P353 HydrophobicContact CE1-CG 4.37Å; F310-L355 HydrophobicContact CZ-CB 4.29Å; F310-L355 HydrophobicContact CZ-CD2 3.8Å; F310-L355 HydrophobicContact CZ-CG 3.8Å; F310-F356 HydrophobicContact CB-CD2 3.61Å; F310-F356 HydrophobicContact CB-CE2 3.86Å; F310-F356 HydrophobicContact CD1-CB 4.04Å; F310-F356 AromaticContact CD1-CD2 3.68Å; F310-F356 HydrophobicContact CD1-CD2 3.68Å; F310-F356 HydrophobicContact CD1-CG 4.36Å; F310-F356 HydrophobicContact CE1-CB 4.04Å; F310-F356 HydrophobicContact CE1-CD2 4.48Å; F310-F356 AromaticContact CG-CD2 3.69Å; F310-F356 HydrophobicContact CG-CD2 3.69Å; F310-F356 HydrophobicContact CG-CE2 4.42Å
311	V	82.9	Confident	66.5	Low	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	100.2	171.6	174.4	0	0	0	0	106.9	H303 I313 V325 A329 V344 I345 R346 V347	H303-V311 WeakPolarHBondContact CE1-CG1 3.46Å; H303-V311 WeakPolarHBondContact ND1-CA 3.43Å; H303-V311 WeakPolarHBondContact ND1-CG1 3.24Å; H303-V311 WeakPolarHBondContact NE2-CG1 3.31Å; V311-I313 HydrophobicContact CG1-CD1 3.72Å; V311-I313 HydrophobicContact CG1-CG1 4.41Å; V311-V325 HydrophobicContact CB-CG1 4.21Å; V311-V325 HydrophobicContact CG1-CB 4.38Å; V311-V325 HydrophobicContact CG1-CG1 3.51Å; V311-V325 HydrophobicContact CG1-CG2 4.14Å; V311-V325 HydrophobicContact CG2-CG1 4.49Å; V311-A329 HydrophobicContact CG2-CB 4.12Å; V311-V344 HydrophobicContact CG2-CG1 3.79Å; V311-I345 PolarHBondContact N-O 3.43Å; V311-R346 CarbonylContact O-C 3.47Å; V311-R346 WeakPolarHBondContact O-CA 3.49Å; V311-V347 PolarHBondContact O-N 3.43Å
312	W	82.2	Confident	67.9	Low	9 Å²	9	46.1 Å²	46.1	3%	0.034	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.1	177.8	-175.5	99.3	0	0	0	111.1	L298 D299 A302 H303 V347 E349 E352 F356	L298-W312 HydrophobicContact CB-CH2 4.17Å; L298-W312 HydrophobicContact CB-CZ2 4.16Å; L298-W312 HydrophobicContact CB-CZ3 4.36Å; L298-W312 HydrophobicContact CD1-CZ2 4.35Å; L298-W312 HydrophobicContact CD2-CD2 4.21Å; L298-W312 HydrophobicContact CD2-CE3 4.48Å; L298-W312 HydrophobicContact CD2-CG 4.27Å; D299-W312 WeakPolarHBondContact O-CZ3 3.47Å; A302-W312 CarbonylContact O-C 3.44Å; A302-W312 WeakPolarHBondContact O-CA 3.49Å; A302-W312 VanDerWaalsContact O-CB 3.28Å; A302-W312 WeakPolarHBondContact O-CB 3.47Å; A302-W312 PolarHBondContact O-N 3.26Å; H303-W312 PolarHBondContact CE1-O 2.71Å; H303-W312 PolarHBondContact ND1-N 3.2Å; H303-W312 PolarHBondContact ND1-O 3.46Å; W312-V347 CarbonylContact C-O 3.55Å; W312-V347 VanDerWaalsContact CA-O 3.26Å; W312-V347 WeakPolarHBondContact CA-O 3.32Å; W312-E349 HydrophobicContact CH2-CB 3.89Å; W312-E349 HydrophobicContact CH2-CG 3.9Å; W312-E349 HydrophobicContact CZ2-CB 3.43Å; W312-E349 VanDerWaalsContact CZ2-CB 3.43Å; W312-E349 HydrophobicContact CZ2-CG 3.46Å; W312-E349 VanDerWaalsContact CZ2-CG 3.46Å; W312-E352 PolarHBondContact NE1-OE1 3.37Å; W312-F356 HydrophobicContact CB-CE2 3.8Å; W312-F356 HydrophobicContact CB-CZ 3.64Å; W312-F356 AromaticContact CD1-CE1 3.54Å; W312-F356 AromaticContact CD1-CZ 3.26Å; W312-F356 HydrophobicContact CG-CE1 4.32Å; W312-F356 HydrophobicContact CG-CE2 4.24Å; W312-F356 AromaticContact CG-CZ 3.63Å; W312-F356 HydrophobicContact CG-CZ 3.63Å
313	I	82.7	Confident	69.7	Low	7 Å²	7	54.5 Å²	54.5	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.1	-172.8	-55.6	-60.1	0	0	0	109.3	V311 C317 K322 V325 R346 V347 N348 E349	V311-I313 HydrophobicContact CG1-CD1 3.72Å; V311-I313 HydrophobicContact CG1-CG1 4.41Å; I313-C317 HydrophobicContact CG2-CB 3.94Å; I313-K322 HydrophobicContact CG2-CG 3.9Å; I313-V325 HydrophobicContact CD1-CG2 3.33Å; I313-V325 HydrophobicContact CG1-CG2 4.21Å; I313-R346 HydrophobicContact CG1-CG 3.93Å; I313-V347 PolarHBondContact N-O 2.97Å; I313-N348 WeakPolarHBondContact CB-OD1 3.31Å; I313-E349 WeakPolarHBondContact O-CB 3.48Å; I313-E349 PolarHBondContact O-N 3.23Å
314	G	81.1	Confident	71.2	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.021	28%	0.277	C	S	.	.			trans	-71.7	155	177.2	0	0	0	0	0	113	S300 R316 C317 E349	S300-G314 VanDerWaalsContact O-CA 3.31Å; S300-G314 WeakPolarHBondContact O-CA 3.38Å; S300-G314 PolarHBondContact O-N 3.11Å; G314-R316 PolarHBondContact O-N 3.2Å; G314-R316 VanDerWaalsContact O-N 3.1Å; G314-C317 WeakPolarHBondContact O-CB 3.38Å; G314-C317 PolarHBondContact O-N 3.3Å; G314-E349 WeakPolarHBondContact CA-OE2 3.06Å
315	K	78.8	Confident	73.2	Confident	146 Å²	146	54.9 Å²	54.9	64%	0.635	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.9	176.3	-76.3	179.1	172.5	172.2	0	114.1	E349 N350	K315-E349 WeakPolarHBondContact CB-OE2 3.39Å; K315-E349 HydrophobicContact CG-CB 4.2Å; K315-E349 HydrophobicContact CG-CG 4.25Å; K315-E349 PolarHBondContact N-OE2 3.11Å; K315-N350 WeakPolarHBondContact CE-ND2 3.34Å; K315-N350 PolarHBondContact NZ-ND2 2.97Å
316	R	77.8	Confident	75.4	Confident	202 Å²	202	55.1 Å²	55.1	76%	0.762	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-1	179.2	-65.4	-175.7	-68.9	-109.6	-2.9	114.1	S300 G314	S300-R316 PolarHBondContact OG-NE 3.22Å; S300-R316 VanDerWaalsContact OG-NE 3.07Å; S300-R316 PolarHBondContact OG-NH2 3.38Å; G314-R316 PolarHBondContact O-N 3.2Å; G314-R316 VanDerWaalsContact O-N 3.1Å
317	C	76.6	Confident	77.2	Confident	11 Å²	11	58.8 Å²	58.8	7%	0.074	29%	0.29	C	S	.	.			trans	-62.1	133.6	174.4	-162.9	0	0	0	0	109.7	I313 G314 E321 K322	I313-C317 HydrophobicContact CG2-CB 3.94Å; G314-C317 WeakPolarHBondContact O-CB 3.38Å; G314-C317 PolarHBondContact O-N 3.3Å; C317-E321 WeakPolarHBondContact SG-CB 3.37Å; C317-K322 HydrophobicContact CB-CG 4.35Å; C317-K322 VanDerWaalsContact O-CE 3.3Å; C317-K322 WeakPolarHBondContact O-CE 3.36Å
318	T	78.3	Confident	78.8	Confident	71 Å²	71	54.4 Å²	54.4	44%	0.436	26%	0.259	S	S	.	.			trans	-68.8	156.4	179.4	64.2	0	0	0	0	111.1	S320 E321 K322	T318-S320 PolarHBondContact O-N 2.87Å; T318-E321 PolarHBondContact N-OE2 2.74Å; T318-E321 PolarHBondContact O-N 3.41Å; T318-E321 VanDerWaalsContact O-N 3.12Å; T318-E321 VanDerWaalsContact OG1-CG 3.28Å; T318-E321 WeakPolarHBondContact OG1-CG 3.44Å; T318-E321 PolarHBondContact OG1-N 3.3Å; T318-E321 VanDerWaalsContact OG1-N 3.17Å; T318-E321 PolarHBondContact OG1-OE2 3.25Å; T318-K322 WeakPolarHBondContact O-CG 3.29Å; T318-K322 PolarHBondContact O-N 3.16Å
319	D	75.9	Confident	80	Confident	109 Å²	109	54.1 Å²	54.1	58%	0.583	26%	0.256	S	S	*	.	H	α-helix	trans	-62	-26.7	176.5	-65.4	-22.2	0	0	0	112.4	K322 R323	D319-K322 IonicContact OD1-NZ 3.12Å; D319-R323 WeakPolarHBondContact O-CB 3.32Å; D319-R323 VanDerWaalsContact O-CG 3.25Å; D319-R323 WeakPolarHBondContact O-CG 3.19Å; D319-R323 PolarHBondContact O-N 2.65Å; D319-R323 VanDerWaalsContact O-N 3.12Å
320	S	76.8	Confident	80.6	Confident	83 Å²	83	58.4 Å²	58.4	58%	0.58	27%	0.274	S	S	*	.	H	α-helix	trans	-65.7	-49.9	172.5	-176.4	0	0	0	0	111.4	T318 K322 R323 A324	T318-S320 PolarHBondContact O-N 2.87Å; S320-K322 PolarHBondContact O-N 2.75Å; S320-R323 PolarHBondContact O-N 3.06Å; S320-A324 VanDerWaalsContact O-CB 3.32Å; S320-A324 WeakPolarHBondContact O-CB 3.38Å; S320-A324 PolarHBondContact O-N 3.15Å
321	E	77.9	Confident	81.2	Confident	32 Å²	32	61.2 Å²	61.2	15%	0.15	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-43.1	177.5	-72.7	166.7	124.4	0	0	111.4	N301 C317 T318 R323 A324 V325	N301-E321 PolarHBondContact ND2-OE1 3.1Å; C317-E321 WeakPolarHBondContact SG-CB 3.37Å; T318-E321 PolarHBondContact N-OE2 2.74Å; T318-E321 PolarHBondContact O-N 3.41Å; T318-E321 VanDerWaalsContact O-N 3.12Å; T318-E321 VanDerWaalsContact OG1-CG 3.28Å; T318-E321 WeakPolarHBondContact OG1-CG 3.44Å; T318-E321 PolarHBondContact OG1-N 3.3Å; T318-E321 VanDerWaalsContact OG1-N 3.17Å; T318-E321 PolarHBondContact OG1-OE2 3.25Å; E321-R323 VanDerWaalsContact C-N 3.33Å; E321-R323 PolarHBondContact O-N 3.08Å; E321-A324 PolarHBondContact O-N 2.79Å; E321-A324 VanDerWaalsContact O-N 3.11Å; E321-V325 WeakPolarHBondContact O-CG2 3.25Å; E321-V325 PolarHBondContact O-N 2.76Å
322	K	78	Confident	81.2	Confident	62 Å²	62	61.9 Å²	61.9	27%	0.27	29%	0.292	S	S	.	.	H	α-helix	trans	-57.8	-42.3	176	-69.5	177.2	-172.3	164.5	0	112.6	I313 C317 T318 D319 S320 V325	I313-K322 HydrophobicContact CG2-CG 3.9Å; C317-K322 HydrophobicContact CB-CG 4.35Å; C317-K322 VanDerWaalsContact O-CE 3.3Å; C317-K322 WeakPolarHBondContact O-CE 3.36Å; T318-K322 WeakPolarHBondContact O-CG 3.29Å; T318-K322 PolarHBondContact O-N 3.16Å; D319-K322 IonicContact OD1-NZ 3.12Å; S320-K322 PolarHBondContact O-N 2.75Å; K322-V325 VanDerWaalsContact O-CG2 3.25Å; K322-V325 WeakPolarHBondContact O-CG2 3.46Å
323	R	79.7	Confident	81	Confident	176 Å²	176	61.9 Å²	61.9	66%	0.664	29%	0.293	S	S	*	.	H	α-helix	trans	-74	-27.4	177.4	-70.3	173	-170	-100.2	-4.9	112.6	L79 D319 S320 E321	L79-R323 HydrophobicContact CD1-CG 4.49Å; D319-R323 WeakPolarHBondContact O-CB 3.32Å; D319-R323 VanDerWaalsContact O-CG 3.25Å; D319-R323 WeakPolarHBondContact O-CG 3.19Å; D319-R323 PolarHBondContact O-N 2.65Å; D319-R323 VanDerWaalsContact O-N 3.12Å; S320-R323 PolarHBondContact O-N 3.06Å; E321-R323 VanDerWaalsContact C-N 3.33Å; E321-R323 PolarHBondContact O-N 3.08Å
324	A	83.5	Confident	81	Confident	30 Å²	30	66 Å²	66	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-81.7	-10.5	-179.8	0	0	0	0	0	114	S320 E321 W326 K327 T328	S320-A324 VanDerWaalsContact O-CB 3.32Å; S320-A324 WeakPolarHBondContact O-CB 3.38Å; S320-A324 PolarHBondContact O-N 3.15Å; E321-A324 PolarHBondContact O-N 2.79Å; E321-A324 VanDerWaalsContact O-N 3.11Å; A324-W326 VanDerWaalsContact C-N 3.34Å; A324-W326 PolarHBondContact O-N 2.81Å; A324-W326 VanDerWaalsContact O-N 3.16Å; A324-K327 WeakPolarHBondContact O-CA 3.44Å; A324-K327 WeakPolarHBondContact O-CB 3.42Å; A324-K327 PolarHBondContact O-N 2.65Å; A324-T328 PolarHBondContact O-N 3.3Å; A324-T328 PolarHBondContact O-OG1 2.68Å
325	V	84.5	Confident	81.1	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-42.9	-52.8	-176.4	162.9	0	0	0	0	114.1	V311 I313 E321 K322 K327 T328 A329 R346	V311-V325 HydrophobicContact CB-CG1 4.21Å; V311-V325 HydrophobicContact CG1-CB 4.38Å; V311-V325 HydrophobicContact CG1-CG1 3.51Å; V311-V325 HydrophobicContact CG1-CG2 4.14Å; V311-V325 HydrophobicContact CG2-CG1 4.49Å; I313-V325 HydrophobicContact CD1-CG2 3.33Å; I313-V325 HydrophobicContact CG1-CG2 4.21Å; E321-V325 WeakPolarHBondContact O-CG2 3.25Å; E321-V325 PolarHBondContact O-N 2.76Å; K322-V325 VanDerWaalsContact O-CG2 3.25Å; K322-V325 WeakPolarHBondContact O-CG2 3.46Å; V325-K327 VanDerWaalsContact C-N 3.3Å; V325-K327 PolarHBondContact O-N 3.3Å; V325-T328 WeakPolarHBondContact O-CB 3.29Å; V325-T328 PolarHBondContact O-N 3.16Å; V325-A329 WeakPolarHBondContact O-CB 3.49Å; V325-A329 PolarHBondContact O-N 3.45Å; V325-R346 HydrophobicContact CG1-CB 4.42Å; V325-R346 HydrophobicContact CG1-CG 4.25Å
326	W	86.2	Confident	81	Confident	28 Å²	28	66.7 Å²	66.7	11%	0.106	33%	0.33	C	S	.	.	H	α-helix	trans	-70	-30.3	-175.1	-63.5	116.6	0	0	0	112.7	F60 A75 Q91 R93 A324 K330 V344 R346	F60-W326 HydrophobicContact CD1-CZ2 4.48Å; F60-W326 HydrophobicContact CE1-CD2 4.25Å; F60-W326 AromaticContact CE1-CE2 3.7Å; F60-W326 HydrophobicContact CE1-CE3 4.34Å; F60-W326 AromaticContact CE1-CH2 3.41Å; F60-W326 HydrophobicContact CE1-CH2 3.41Å; F60-W326 VanDerWaalsContact CE1-CH2 3.41Å; F60-W326 AromaticContact CE1-CZ2 3.29Å; F60-W326 HydrophobicContact CE1-CZ2 3.29Å; F60-W326 AromaticContact CE1-CZ3 3.95Å; F60-W326 HydrophobicContact CE1-CZ3 3.95Å; F60-W326 AromaticContact CZ-CD2 3.75Å; F60-W326 HydrophobicContact CZ-CD2 3.75Å; F60-W326 AromaticContact CZ-CE2 3.7Å; F60-W326 AromaticContact CZ-CE3 3.66Å; F60-W326 HydrophobicContact CZ-CE3 3.66Å; F60-W326 AromaticContact CZ-CH2 3.54Å; F60-W326 HydrophobicContact CZ-CH2 3.54Å; F60-W326 AromaticContact CZ-CZ2 3.63Å; F60-W326 HydrophobicContact CZ-CZ2 3.63Å; F60-W326 AromaticContact CZ-CZ3 3.54Å; F60-W326 HydrophobicContact CZ-CZ3 3.54Å; A75-W326 HydrophobicContact CB-CB 4.28Å; A75-W326 HydrophobicContact CB-CG 3.98Å; Q91-W326 HydrophobicContact CB-CH2 4.49Å; Q91-W326 HydrophobicContact CB-CZ2 4.03Å; R93-W326 HydrophobicContact CB-CH2 4.27Å; R93-W326 HydrophobicContact CB-CZ3 3.8Å; A324-W326 VanDerWaalsContact C-N 3.34Å; A324-W326 PolarHBondContact O-N 2.81Å; A324-W326 VanDerWaalsContact O-N 3.16Å; W326-K330 WeakPolarHBondContact O-CB 3.4Å; W326-K330 PolarHBondContact O-N 2.86Å; W326-K330 VanDerWaalsContact O-N 3.13Å; W326-V344 HydrophobicContact CE3-CG1 4.16Å; W326-V344 HydrophobicContact CH2-CG1 4.5Å; W326-V344 HydrophobicContact CZ3-CB 3.86Å; W326-V344 HydrophobicContact CZ3-CG1 3.57Å; W326-R346 HydrophobicContact CH2-CB 4.02Å; W326-R346 HydrophobicContact CZ2-CB 3.93Å
327	K	85.1	Confident	80.8	Confident	138 Å²	138	64 Å²	64	60%	0.6	33%	0.331	S	S	*	.	H	α-helix	trans	-68.4	-50.1	171.4	-176.8	-175.4	174	-172.3	0	110.1	A324 V325 A329 K330 D331	A324-K327 WeakPolarHBondContact O-CA 3.44Å; A324-K327 WeakPolarHBondContact O-CB 3.42Å; A324-K327 PolarHBondContact O-N 2.65Å; V325-K327 VanDerWaalsContact C-N 3.3Å; V325-K327 PolarHBondContact O-N 3.3Å; K327-A329 VanDerWaalsContact C-N 3.31Å; K327-A329 PolarHBondContact O-N 3.49Å; K327-K330 WeakPolarHBondContact O-CB 3.32Å; K327-K330 PolarHBondContact O-N 3.39Å; K327-K330 VanDerWaalsContact O-N 3.14Å; K327-D331 VanDerWaalsContact O-CG 3.3Å; K327-D331 PolarHBondContact O-N 2.95Å
328	T	84.9	Confident	80.4	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.055	35%	0.345	C	S	.	.	H	α-helix	trans	-54.8	-45.4	176.5	-57.6	0	0	0	0	112	V276 I283 F285 A324 V325 D331 F332	V276-T328 HydrophobicContact CG1-CG2 3.88Å; V276-T328 HydrophobicContact CG2-CG2 4.2Å; I283-T328 HydrophobicContact CD1-CG2 4.39Å; I283-T328 WeakPolarHBondContact CD1-OG1 3.38Å; I283-T328 HydrophobicContact CG2-CG2 3.96Å; F285-T328 HydrophobicContact CE1-CG2 3.95Å; F285-T328 HydrophobicContact CZ-CG2 4.16Å; A324-T328 PolarHBondContact O-N 3.3Å; A324-T328 PolarHBondContact O-OG1 2.68Å; V325-T328 WeakPolarHBondContact O-CB 3.29Å; V325-T328 PolarHBondContact O-N 3.16Å; T328-D331 PolarHBondContact O-N 2.76Å; T328-F332 WeakPolarHBondContact O-CB 3.36Å; T328-F332 PolarHBondContact O-N 2.8Å
329	A	83.7	Confident	79.8	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-40.1	178.5	0	0	0	0	0	112.5	V311 V325 K327 F332 L333 V344	V311-A329 HydrophobicContact CG2-CB 4.12Å; V325-A329 WeakPolarHBondContact O-CB 3.49Å; V325-A329 PolarHBondContact O-N 3.45Å; K327-A329 VanDerWaalsContact C-N 3.31Å; K327-A329 PolarHBondContact O-N 3.49Å; A329-F332 PolarHBondContact O-N 3.21Å; A329-L333 WeakPolarHBondContact O-CG 3.27Å; A329-L333 PolarHBondContact O-N 3.47Å; A329-V344 HydrophobicContact CB-CG1 3.64Å; A329-V344 HydrophobicContact CB-CG2 4.35Å
330	K	83.1	Confident	79.6	Confident	102 Å²	102	65.2 Å²	65.2	44%	0.443	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-42.9	174.6	-174.4	-178.7	178.9	-178.1	0	111.8	W326 K327 F332 L333 T334	W326-K330 WeakPolarHBondContact O-CB 3.4Å; W326-K330 PolarHBondContact O-N 2.86Å; W326-K330 VanDerWaalsContact O-N 3.13Å; K327-K330 WeakPolarHBondContact O-CB 3.32Å; K327-K330 PolarHBondContact O-N 3.39Å; K327-K330 VanDerWaalsContact O-N 3.14Å; K330-F332 VanDerWaalsContact C-N 3.33Å; K330-L333 PolarHBondContact O-N 2.88Å; K330-T334 PolarHBondContact O-N 2.99Å; K330-T334 PolarHBondContact O-OG1 3.42Å
331	D	84.7	Confident	79.2	Confident	60 Å²	60	65.4 Å²	65.4	32%	0.321	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-39.5	177.1	-67	-15.7	0	0	0	110.5	K327 T328 T334 T335	K327-D331 VanDerWaalsContact O-CG 3.3Å; K327-D331 PolarHBondContact O-N 2.95Å; T328-D331 PolarHBondContact O-N 2.76Å; D331-T334 PolarHBondContact O-N 3.12Å; D331-T335 VanDerWaalsContact O-CB 3.28Å; D331-T335 WeakPolarHBondContact O-CB 3.26Å; D331-T335 PolarHBondContact O-N 2.85Å; D331-T335 PolarHBondContact O-OG1 3.2Å
332	F	83.4	Confident	78.6	Confident	15 Å²	15	64.7 Å²	64.7	7%	0.066	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-49.3	174.7	-178.9	-91.1	0	0	0	112.3	F274 F285 I309 T328 A329 K330 T334 T335 H336 Y338	F274-F332 HydrophobicContact CB-CE2 4.3Å; F274-F332 AromaticContact CD1-CE2 3.96Å; F274-F332 HydrophobicContact CD1-CE2 3.96Å; F274-F332 AromaticContact CD2-CE2 3.72Å; F274-F332 HydrophobicContact CD2-CE2 3.72Å; F274-F332 AromaticContact CD2-CZ 3.61Å; F274-F332 HydrophobicContact CD2-CZ 3.61Å; F274-F332 HydrophobicContact CE1-CE2 4.16Å; F274-F332 HydrophobicContact CE1-CZ 4.48Å; F274-F332 AromaticContact CE2-CE2 3.95Å; F274-F332 HydrophobicContact CE2-CE2 3.95Å; F274-F332 AromaticContact CE2-CZ 3.55Å; F274-F332 HydrophobicContact CE2-CZ 3.55Å; F274-F332 AromaticContact CG-CE2 3.73Å; F274-F332 HydrophobicContact CG-CE2 3.73Å; F274-F332 HydrophobicContact CG-CZ 4.12Å; F274-F332 HydrophobicContact CZ-CE2 4.16Å; F274-F332 HydrophobicContact CZ-CZ 4.01Å; F285-F332 AromaticContact CD1-CD2 3.53Å; F285-F332 HydrophobicContact CD1-CD2 3.53Å; F285-F332 HydrophobicContact CD1-CE2 4.2Å; F285-F332 HydrophobicContact CD2-CD2 4.4Å; F285-F332 HydrophobicContact CE1-CB 3.82Å; F285-F332 AromaticContact CE1-CD2 3.57Å; F285-F332 HydrophobicContact CE1-CD2 3.57Å; F285-F332 HydrophobicContact CE1-CG 4.15Å; F285-F332 HydrophobicContact CE2-CB 4.45Å; F285-F332 HydrophobicContact CE2-CD2 4.42Å; F285-F332 AromaticContact CG-CD2 3.98Å; F285-F332 HydrophobicContact CG-CD2 3.98Å; F285-F332 HydrophobicContact CZ-CB 3.72Å; F285-F332 HydrophobicContact CZ-CD2 4.04Å; F285-F332 HydrophobicContact CZ-CG 4.39Å; I309-F332 HydrophobicContact CD1-CD1 3.77Å; I309-F332 HydrophobicContact CD1-CE1 3.8Å; T328-F332 WeakPolarHBondContact O-CB 3.36Å; T328-F332 PolarHBondContact O-N 2.8Å; A329-F332 PolarHBondContact O-N 3.21Å; K330-F332 VanDerWaalsContact C-N 3.33Å; F332-T334 VanDerWaalsContact C-N 3.3Å; F332-T334 PolarHBondContact O-N 3.31Å; F332-T335 PolarHBondContact O-N 3.33Å; F332-H336 AromaticContact CD2-CE1 3.43Å; F332-H336 VanDerWaalsContact CD2-CE1 3.43Å; F332-H336 WeakPolarHBondContact CD2-CE1 3.44Å; F332-H336 AromaticContact CD2-ND1 3.5Å; F332-H336 WeakPolarHBondContact CD2-ND1 3.5Å; F332-H336 AromaticContact CE2-CE1 3.24Å; F332-H336 WeakPolarHBondContact CE2-CE1 3.45Å; F332-H336 AromaticContact CE2-ND1 3.48Å; F332-H336 WeakPolarHBondContact CE2-ND1 3.42Å; F332-H336 AromaticContact CE2-NE2 3.8Å; F332-H336 AromaticContact CG-ND1 3.9Å; F332-H336 AromaticContact CZ-CE1 3.94Å; F332-H336 AromaticContact CZ-ND1 3.84Å; F332-H336 PolarHBondContact O-N 3.45Å; F332-H336 PolarHBondContact O-ND1 2.92Å; F332-Y338 HydrophobicContact CD1-CD2 4.4Å; F332-Y338 AromaticContact CE1-CD2 3.96Å; F332-Y338 HydrophobicContact CE1-CD2 3.96Å; F332-Y338 AromaticContact CE1-CE2 3.65Å; F332-Y338 HydrophobicContact CE1-CE2 3.65Å; F332-Y338 HydrophobicContact CZ-CE2 4.2Å
333	L	78.5	Confident	78	Confident	9 Å²	9	62.7 Å²	62.7	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-54.7	-47.9	176.5	-76.3	170.8	0	0	0	111	I309 A329 K330 N337 Y338 V342 V344	I309-L333 HydrophobicContact CD1-CD2 3.3Å; I309-L333 HydrophobicContact CD1-CG 4Å; A329-L333 WeakPolarHBondContact O-CG 3.27Å; A329-L333 PolarHBondContact O-N 3.47Å; K330-L333 PolarHBondContact O-N 2.88Å; L333-N337 PolarHBondContact O-N 2.86Å; L333-Y338 VanDerWaalsContact CD2-CB 3.44Å; L333-Y338 HydrophobicContact CD2-CD2 4.49Å; L333-Y338 HydrophobicContact CD2-CG 4.21Å; L333-Y338 PolarHBondContact O-N 2.8Å; L333-V342 HydrophobicContact CD2-CB 3.93Å; L333-V342 HydrophobicContact CD2-CG1 4.25Å; L333-V344 HydrophobicContact CD1-CG2 3.98Å
334	T	83.4	Confident	77.9	Confident	95 Å²	95	54.4 Å²	54.4	58%	0.583	28%	0.283	S	S	*	.	H	α-helix	trans	-65.6	-45.1	-179.3	-50.6	0	0	0	0	111.6	K330 D331 F332 H336 N337	K330-T334 PolarHBondContact O-N 2.99Å; K330-T334 PolarHBondContact O-OG1 3.42Å; D331-T334 PolarHBondContact O-N 3.12Å; F332-T334 VanDerWaalsContact C-N 3.3Å; F332-T334 PolarHBondContact O-N 3.31Å; T334-H336 VanDerWaalsContact C-N 3.33Å; T334-H336 PolarHBondContact O-N 3.25Å; T334-N337 PolarHBondContact O-N 3.18Å
335	T	82.7	Confident	77.6	Confident	94 Å²	94	53.8 Å²	53.8	58%	0.577	28%	0.276	S	S	*	.	H	α-helix	trans	-66	-34.2	-176.8	-58	0	0	0	0	112.5	D331 F332	D331-T335 VanDerWaalsContact O-CB 3.28Å; D331-T335 WeakPolarHBondContact O-CB 3.26Å; D331-T335 PolarHBondContact O-N 2.85Å; D331-T335 PolarHBondContact O-OG1 3.2Å; F332-T335 PolarHBondContact O-N 3.33Å
336	H	76	Confident	77.6	Confident	67 Å²	67	54 Å²	54	31%	0.31	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	9.9	-177.6	-64.2	81.3	0	0	0	113.4	F274 F332 T334 Y338	F274-H336 AromaticContact CE1-NE2 3.74Å; F332-H336 AromaticContact CD2-CE1 3.43Å; F332-H336 VanDerWaalsContact CD2-CE1 3.43Å; F332-H336 WeakPolarHBondContact CD2-CE1 3.44Å; F332-H336 AromaticContact CD2-ND1 3.5Å; F332-H336 WeakPolarHBondContact CD2-ND1 3.5Å; F332-H336 AromaticContact CE2-CE1 3.24Å; F332-H336 WeakPolarHBondContact CE2-CE1 3.45Å; F332-H336 AromaticContact CE2-ND1 3.48Å; F332-H336 WeakPolarHBondContact CE2-ND1 3.42Å; F332-H336 AromaticContact CE2-NE2 3.8Å; F332-H336 AromaticContact CG-ND1 3.9Å; F332-H336 AromaticContact CZ-CE1 3.94Å; F332-H336 AromaticContact CZ-ND1 3.84Å; F332-H336 PolarHBondContact O-N 3.45Å; F332-H336 PolarHBondContact O-ND1 2.92Å; T334-H336 VanDerWaalsContact C-N 3.33Å; T334-H336 PolarHBondContact O-N 3.25Å; H336-Y338 HydrophobicContact CB-CD2 3.55Å; H336-Y338 HydrophobicContact CB-CE2 3.52Å; H336-Y338 PolarHBondContact O-N 3.27Å
337	N	73.7	Confident	77.3	Confident	147 Å²	147	52.7 Å²	52.7	79%	0.786	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	32.5	-177.5	-60.4	-48.6	0	0	0	113.7	L333 T334	L333-N337 PolarHBondContact O-N 2.86Å; T334-N337 PolarHBondContact O-N 3.18Å
338	Y	68.7	Low	77.1	Confident	92 Å²	92	46.9 Å²	46.9	36%	0.361	25%	0.246	S	C	.	.			trans	-74.2	142.5	169.8	-74.9	-69.2	0	0	0	109.8	I309 F332 L333 H336	I309-Y338 HydrophobicContact CD1-CD2 4.29Å; F332-Y338 HydrophobicContact CD1-CD2 4.4Å; F332-Y338 AromaticContact CE1-CD2 3.96Å; F332-Y338 HydrophobicContact CE1-CD2 3.96Å; F332-Y338 AromaticContact CE1-CE2 3.65Å; F332-Y338 HydrophobicContact CE1-CE2 3.65Å; F332-Y338 HydrophobicContact CZ-CE2 4.2Å; L333-Y338 VanDerWaalsContact CD2-CB 3.44Å; L333-Y338 HydrophobicContact CD2-CD2 4.49Å; L333-Y338 HydrophobicContact CD2-CG 4.21Å; L333-Y338 PolarHBondContact O-N 2.8Å; H336-Y338 HydrophobicContact CB-CD2 3.55Å; H336-Y338 HydrophobicContact CB-CE2 3.52Å; H336-Y338 PolarHBondContact O-N 3.27Å
339	P	66	Low	77	Confident	45 Å²	45	49 Å²	49	29%	0.292	26%	0.256	S	S	.	.			trans	-59.7	147.1	174	-22.6	32.1	0	0	0	113.1	W341 V342	P339-W341 HydrophobicContact CB-CD2 3.42Å; P339-W341 VanDerWaalsContact CB-CD2 3.42Å; P339-W341 HydrophobicContact CB-CE3 3.75Å; P339-W341 HydrophobicContact CB-CG 4.09Å; P339-W341 HydrophobicContact CB-CH2 3.62Å; P339-W341 HydrophobicContact CB-CZ2 3.27Å; P339-W341 HydrophobicContact CB-CZ3 3.83Å; P339-W341 HydrophobicContact CG-CH2 4.24Å; P339-W341 HydrophobicContact CG-CZ2 3.67Å; P339-W341 PolarHBondContact O-N 2.82Å; P339-W341 VanDerWaalsContact O-N 3.13Å; P339-V342 HydrophobicContact CB-CG2 4.35Å; P339-V342 HydrophobicContact CG-CG2 4.48Å; P339-V342 WeakPolarHBondContact O-CG2 3.5Å; P339-V342 PolarHBondContact O-N 2.97Å
340	S	70.8	Confident	76.7	Confident	78 Å²	78	52.7 Å²	52.7	55%	0.545	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21	-177.3	61	0	0	0	0	113.7	R93	R93-S340 VanDerWaalsContact CZ-O 3.29Å; R93-S340 PolarHBondContact NH1-O 2.82Å; R93-S340 PolarHBondContact NH2-O 3.1Å
341	W	68.3	Low	76.2	Confident	87 Å²	87	48.9 Å²	48.9	33%	0.33	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5	179.7	56.5	84.6	0	0	0	114.9	V95 Y98 P339 N343	V95-W341 HydrophobicContact CB-CB 4.44Å; V95-W341 HydrophobicContact CG1-CB 4.09Å; Y98-W341 HydrophobicContact CD1-CB 4.29Å; Y98-W341 AromaticContact CD1-CD1 3.43Å; Y98-W341 VanDerWaalsContact CD1-CD1 3.43Å; Y98-W341 HydrophobicContact CD1-CG 4.03Å; Y98-W341 HydrophobicContact CD2-CB 3.35Å; Y98-W341 AromaticContact CD2-CG 3.76Å; Y98-W341 HydrophobicContact CD2-CG 3.76Å; Y98-W341 AromaticContact CE1-CD1 3.35Å; Y98-W341 HydrophobicContact CE1-CD2 4.49Å; Y98-W341 AromaticContact CE1-CG 3.92Å; Y98-W341 HydrophobicContact CE1-CG 3.92Å; Y98-W341 AromaticContact CE1-NE1 3.59Å; Y98-W341 HydrophobicContact CE2-CB 3.64Å; Y98-W341 AromaticContact CE2-CD1 3.93Å; Y98-W341 HydrophobicContact CE2-CD2 4.11Å; Y98-W341 AromaticContact CE2-CG 3.63Å; Y98-W341 HydrophobicContact CE2-CG 3.63Å; Y98-W341 HydrophobicContact CG-CB 3.69Å; Y98-W341 AromaticContact CG-CD1 3.75Å; Y98-W341 AromaticContact CG-CG 3.94Å; Y98-W341 HydrophobicContact CG-CG 3.94Å; Y98-W341 AromaticContact CZ-CD1 3.6Å; Y98-W341 AromaticContact CZ-CG 3.7Å; Y98-W341 AromaticContact CZ-NE1 3.8Å; P339-W341 HydrophobicContact CB-CD2 3.42Å; P339-W341 VanDerWaalsContact CB-CD2 3.42Å; P339-W341 HydrophobicContact CB-CE3 3.75Å; P339-W341 HydrophobicContact CB-CG 4.09Å; P339-W341 HydrophobicContact CB-CH2 3.62Å; P339-W341 HydrophobicContact CB-CZ2 3.27Å; P339-W341 HydrophobicContact CB-CZ3 3.83Å; P339-W341 HydrophobicContact CG-CH2 4.24Å; P339-W341 HydrophobicContact CG-CZ2 3.67Å; P339-W341 PolarHBondContact O-N 2.82Å; P339-W341 VanDerWaalsContact O-N 3.13Å; W341-N343 PolarHBondContact O-N 2.65Å
342	V	65.9	Low	75.8	Confident	17 Å²	17	46.4 Å²	46.4	10%	0.103	25%	0.249	C	C	.	.	S	Bend	trans	-60	125.2	173.8	175.3	0	0	0	0	109.2	R93 I309 L333 P339	R93-V342 PolarHBondContact NH1-O 3.24Å; R93-V342 VanDerWaalsContact NH1-O 3.08Å; I309-V342 HydrophobicContact CD1-CG1 4.14Å; I309-V342 HydrophobicContact CG1-CG1 3.96Å; L333-V342 HydrophobicContact CD2-CB 3.93Å; L333-V342 HydrophobicContact CD2-CG1 4.25Å; P339-V342 HydrophobicContact CB-CG2 4.35Å; P339-V342 HydrophobicContact CG-CG2 4.48Å; P339-V342 WeakPolarHBondContact O-CG2 3.5Å; P339-V342 PolarHBondContact O-N 2.97Å
343	N	64.3	Low	74.9	Confident	21 Å²	21	46.6 Å²	46.6	11%	0.112	25%	0.252	C	S	.	.			trans	-64.2	139.9	179.5	-71.6	-28.1	0	0	0	110.1	R93 Y98 A308 I309 W341	R93-N343 PolarHBondContact O-OD1 3.47Å; Y98-N343 PolarHBondContact O-ND2 3.15Å; Y98-N343 PolarHBondContact O-OD1 2.76Å; A308-N343 CarbonylContact C-O 3.54Å; A308-N343 VanDerWaalsContact CA-O 3.25Å; A308-N343 WeakPolarHBondContact CA-O 3.24Å; A308-N343 HydrophobicContact CB-CB 3.89Å; A308-N343 WeakPolarHBondContact CB-O 3.45Å; I309-N343 PolarHBondContact N-O 3.3Å; W341-N343 PolarHBondContact O-N 2.65Å
344	V	77.6	Confident	74.1	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.4	176.7	-179.7	0	0	0	0	108.2	R93 I309 V311 W326 A329 L333	R93-V344 HydrophobicContact CB-CB 4.11Å; R93-V344 WeakPolarHBondContact CB-O 3.19Å; R93-V344 PolarHBondContact N-O 3.1Å; I309-V344 HydrophobicContact CB-CG2 4.39Å; I309-V344 CarbonylContact O-C 3.55Å; I309-V344 VanDerWaalsContact O-CA 3.24Å; I309-V344 WeakPolarHBondContact O-CA 3.5Å; V311-V344 HydrophobicContact CG2-CG1 3.79Å; W326-V344 HydrophobicContact CE3-CG1 4.16Å; W326-V344 HydrophobicContact CH2-CG1 4.5Å; W326-V344 HydrophobicContact CZ3-CB 3.86Å; W326-V344 HydrophobicContact CZ3-CG1 3.57Å; A329-V344 HydrophobicContact CB-CG1 3.64Å; A329-V344 HydrophobicContact CB-CG2 4.35Å; L333-V344 HydrophobicContact CD1-CG2 3.98Å
345	I	77.6	Confident	72.9	Confident	18 Å²	18	50 Å²	50	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	110.1	-172.8	-56.1	176.3	0	0	0	108.5	V90 Q91 V92 A308 I309 F310 V311 V347	V90-I345 HydrophobicContact CG1-CG2 3.73Å; Q91-I345 CarbonylContact O-C 3.53Å; Q91-I345 VanDerWaalsContact O-CA 3.32Å; Q91-I345 WeakPolarHBondContact O-CA 3.47Å; V92-I345 HydrophobicContact CG1-CG1 4.07Å; V92-I345 HydrophobicContact CG2-CG1 4.44Å; V92-I345 HydrophobicContact CG2-CG2 4.27Å; A308-I345 HydrophobicContact CB-CD1 3.89Å; A308-I345 HydrophobicContact CB-CG1 4.34Å; I309-I345 PolarHBondContact O-N 3.23Å; F310-I345 CarbonylContact C-O 3.56Å; F310-I345 VanDerWaalsContact CA-O 3.23Å; F310-I345 WeakPolarHBondContact CA-O 3.5Å; F310-I345 HydrophobicContact CD1-CB 3.7Å; F310-I345 HydrophobicContact CD1-CD1 4.18Å; F310-I345 HydrophobicContact CD1-CG1 4.48Å; F310-I345 HydrophobicContact CD1-CG2 3.76Å; F310-I345 HydrophobicContact CE1-CB 3.93Å; F310-I345 HydrophobicContact CE1-CD1 3.55Å; F310-I345 HydrophobicContact CE1-CG1 4.3Å; F310-I345 HydrophobicContact CE1-CG2 3.82Å; F310-I345 HydrophobicContact CE2-CD1 4.39Å; F310-I345 HydrophobicContact CG-CB 4.37Å; F310-I345 HydrophobicContact CZ-CD1 3.66Å; V311-I345 PolarHBondContact N-O 3.43Å; I345-V347 HydrophobicContact CG2-CG2 3.89Å
346	R	85.4	Confident	72	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.9	172.4	179.3	-172.5	171.7	-137.6	-10.8	109.2	D82 Q91 V311 I313 V325 W326 N348	D82-R346 IonicContact OD2-CZ 3.47Å; D82-R346 IonicContact OD2-NH1 3.95Å; D82-R346 PolarHBondContact OD2-NH1 3.23Å; D82-R346 IonicContact OD2-NH2 3.97Å; D82-R346 PolarHBondContact OD2-NH2 3.2Å; Q91-R346 HydrophobicContact CB-CB 4.13Å; Q91-R346 PolarHBondContact N-O 2.62Å; Q91-R346 PolarHBondContact O-N 3.23Å; V311-R346 CarbonylContact O-C 3.47Å; V311-R346 WeakPolarHBondContact O-CA 3.49Å; I313-R346 HydrophobicContact CG1-CG 3.93Å; V325-R346 HydrophobicContact CG1-CB 4.42Å; V325-R346 HydrophobicContact CG1-CG 4.25Å; W326-R346 HydrophobicContact CH2-CB 4.02Å; W326-R346 HydrophobicContact CZ2-CB 3.93Å; R346-N348 PolarHBondContact NH2-OD1 3.45Å
347	V	79.8	Confident	71.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.8	-178.1	179.3	0	0	0	0	108.8	F310 V311 W312 I313 I345 E352 P353 F356	F310-V347 HydrophobicContact CD1-CG2 3.85Å; V311-V347 PolarHBondContact O-N 3.43Å; W312-V347 CarbonylContact C-O 3.55Å; W312-V347 VanDerWaalsContact CA-O 3.26Å; W312-V347 WeakPolarHBondContact CA-O 3.32Å; I313-V347 PolarHBondContact N-O 2.97Å; I345-V347 HydrophobicContact CG2-CG2 3.89Å; V347-E352 HydrophobicContact CG1-CB 4.14Å; V347-E352 HydrophobicContact CG1-CG 3.89Å; V347-P353 HydrophobicContact CG2-CG 4.18Å; V347-F356 HydrophobicContact CG2-CD2 4.37Å
348	N	81	Confident	70.8	Confident	16 Å²	16	39.5 Å²	39.5	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	149.6	175.2	-63.3	-47.2	0	0	0	110.6	G87 I313 R346 N350 A351	G87-N348 WeakPolarHBondContact O-CB 3.25Å; G87-N348 PolarHBondContact O-ND2 3.38Å; I313-N348 WeakPolarHBondContact CB-OD1 3.31Å; R346-N348 PolarHBondContact NH2-OD1 3.45Å; N348-N350 PolarHBondContact O-N 3.18Å; N348-A351 HydrophobicContact CB-CB 4.46Å; N348-A351 WeakPolarHBondContact O-CA 3.4Å; N348-A351 WeakPolarHBondContact O-CB 3.19Å; N348-A351 PolarHBondContact O-N 3.37Å
349	E	81.9	Confident	70.3	Confident	55 Å²	55	35.2 Å²	35.2	26%	0.257	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	126.7	178.4	177.1	-176.4	155.3	0	0	112.1	W312 I313 G314 K315 A351	W312-E349 HydrophobicContact CH2-CB 3.89Å; W312-E349 HydrophobicContact CH2-CG 3.9Å; W312-E349 HydrophobicContact CZ2-CB 3.43Å; W312-E349 VanDerWaalsContact CZ2-CB 3.43Å; W312-E349 HydrophobicContact CZ2-CG 3.46Å; W312-E349 VanDerWaalsContact CZ2-CG 3.46Å; I313-E349 WeakPolarHBondContact O-CB 3.48Å; I313-E349 PolarHBondContact O-N 3.23Å; G314-E349 WeakPolarHBondContact CA-OE2 3.06Å; K315-E349 WeakPolarHBondContact CB-OE2 3.39Å; K315-E349 HydrophobicContact CG-CB 4.2Å; K315-E349 HydrophobicContact CG-CG 4.25Å; K315-E349 PolarHBondContact N-OE2 3.11Å; E349-A351 VanDerWaalsContact C-N 3.31Å
350	N	78.4	Confident	70	Confident	81 Å²	81	33.1 Å²	33.1	43%	0.433	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	1.7	-171.1	-43.7	-73.6	0	0	0	116.2	K315 N348 E352	K315-N350 WeakPolarHBondContact CE-ND2 3.34Å; K315-N350 PolarHBondContact NZ-ND2 2.97Å; N348-N350 PolarHBondContact O-N 3.18Å; N350-E352 WeakPolarHBondContact CA-OE2 3.11Å; N350-E352 VanDerWaalsContact N-CD 3.27Å; N350-E352 PolarHBondContact N-OE1 3.38Å; N350-E352 PolarHBondContact N-OE2 3.31Å; N350-E352 VanDerWaalsContact N-OE2 3.09Å
351	A	72.8	Confident	69.5	Low	22 Å²	22	32.5 Å²	32.5	18%	0.182	17%	0.17	C	C	.	.			trans	-108.9	26.8	171.1	0	0	0	0	0	111.5	E88 V90 N348 E349 P353	E88-A351 VanDerWaalsContact O-CB 3.28Å; E88-A351 WeakPolarHBondContact O-CB 3.37Å; V90-A351 WeakPolarHBondContact CG2-O 3.37Å; N348-A351 HydrophobicContact CB-CB 4.46Å; N348-A351 WeakPolarHBondContact O-CA 3.4Å; N348-A351 WeakPolarHBondContact O-CB 3.19Å; N348-A351 PolarHBondContact O-N 3.37Å; E349-A351 VanDerWaalsContact C-N 3.31Å; A351-P353 WeakPolarHBondContact O-CD 3.27Å
352	E	75.3	Confident	69.1	Low	8 Å²	8	29.5 Å²	29.5	4%	0.037	16%	0.158	C	C	.	.			trans	-69.3	123.5	-173.5	-60.5	83.3	178.3	0	0	112.3	W312 V347 N350 F356 R357 W362	W312-E352 PolarHBondContact NE1-OE1 3.37Å; V347-E352 HydrophobicContact CG1-CB 4.14Å; V347-E352 HydrophobicContact CG1-CG 3.89Å; N350-E352 WeakPolarHBondContact CA-OE2 3.11Å; N350-E352 VanDerWaalsContact N-CD 3.27Å; N350-E352 PolarHBondContact N-OE1 3.38Å; N350-E352 PolarHBondContact N-OE2 3.31Å; N350-E352 VanDerWaalsContact N-OE2 3.09Å; E352-F356 HydrophobicContact CB-CD1 3.66Å; E352-F356 HydrophobicContact CB-CE1 4.3Å; E352-F356 HydrophobicContact CB-CG 4.39Å; E352-F356 HydrophobicContact CG-CD1 3.51Å; E352-F356 HydrophobicContact CG-CE1 3.63Å; E352-F356 HydrophobicContact CG-CG 4.46Å; E352-R357 HydrophobicContact CB-CG 3.75Å; E352-R357 PolarHBondContact O-NE 2.93Å; E352-R357 PolarHBondContact O-NH2 2.96Å; E352-W362 HydrophobicContact CB-CH2 4.47Å; E352-W362 HydrophobicContact CG-CH2 3.88Å; E352-W362 HydrophobicContact CG-CZ3 4.42Å
353	P	63.8	Low	68.2	Low	18 Å²	18	33.5 Å²	33.5	12%	0.117	19%	0.185	C	C	.	.			trans	-69.4	157	174.9	28.4	-33.4	0	0	0	110.8	V90 F310 V347 A351 L355 F356 R357	V90-P353 HydrophobicContact CG1-CG 4.5Å; V90-P353 HydrophobicContact CG2-CG 4.38Å; F310-P353 HydrophobicContact CE1-CG 4.37Å; V347-P353 HydrophobicContact CG2-CG 4.18Å; A351-P353 WeakPolarHBondContact O-CD 3.27Å; P353-L355 PolarHBondContact O-N 3.12Å; P353-L355 VanDerWaalsContact O-N 3.14Å; P353-F356 HydrophobicContact CG-CB 3.84Å; P353-F356 WeakPolarHBondContact O-CB 3.32Å; P353-F356 PolarHBondContact O-N 3.49Å; P353-R357 PolarHBondContact O-N 3.23Å
354	P	61.7	Low	67.4	Low	85 Å²	85	37 Å²	37	55%	0.552	21%	0.211	S	C	*	.	H	α-helix	trans	-53.2	-36.3	177.8	-28.5	35.7	0	0	0	113.8	F356 R357 S358	P354-F356 VanDerWaalsContact C-N 3.31Å; P354-F356 PolarHBondContact O-N 3.19Å; P354-R357 PolarHBondContact O-N 2.8Å; P354-S358 VanDerWaalsContact O-CB 3.3Å; P354-S358 WeakPolarHBondContact O-CB 3.37Å; P354-S358 PolarHBondContact O-N 2.91Å; P354-S358 PolarHBondContact O-OG 2.67Å
355	L	58.7	Low	65.8	Low	92 Å²	92	41 Å²	41	48%	0.482	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-33.9	177.4	-172.9	62.4	0	0	0	113	R306 F310 P353 S358	R306-L355 PolarHBondContact NH1-O 3.12Å; F310-L355 HydrophobicContact CZ-CB 4.29Å; F310-L355 HydrophobicContact CZ-CD2 3.8Å; F310-L355 HydrophobicContact CZ-CG 3.8Å; P353-L355 PolarHBondContact O-N 3.12Å; P353-L355 VanDerWaalsContact O-N 3.14Å; L355-S358 WeakPolarHBondContact CA-OG 3.15Å; L355-S358 PolarHBondContact O-OG 3.17Å; L355-S358 VanDerWaalsContact O-OG 3.05Å
356	F	65.2	Low	64.1	Low	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-74.1	-48.8	173.5	179.2	-87.8	0	0	0	110.7	L298 F304 F310 W312 V347 E352 P353 P354 S358 A359 F360	L298-F356 HydrophobicContact CD1-CE1 3.79Å; L298-F356 HydrophobicContact CD1-CZ 4.03Å; L298-F356 HydrophobicContact CD2-CE1 4.48Å; L298-F356 HydrophobicContact CD2-CZ 3.89Å; F304-F356 HydrophobicContact CB-CE2 4.34Å; F310-F356 HydrophobicContact CB-CD2 3.61Å; F310-F356 HydrophobicContact CB-CE2 3.86Å; F310-F356 HydrophobicContact CD1-CB 4.04Å; F310-F356 AromaticContact CD1-CD2 3.68Å; F310-F356 HydrophobicContact CD1-CD2 3.68Å; F310-F356 HydrophobicContact CD1-CG 4.36Å; F310-F356 HydrophobicContact CE1-CB 4.04Å; F310-F356 HydrophobicContact CE1-CD2 4.48Å; F310-F356 AromaticContact CG-CD2 3.69Å; F310-F356 HydrophobicContact CG-CD2 3.69Å; F310-F356 HydrophobicContact CG-CE2 4.42Å; W312-F356 HydrophobicContact CB-CE2 3.8Å; W312-F356 HydrophobicContact CB-CZ 3.64Å; W312-F356 AromaticContact CD1-CE1 3.54Å; W312-F356 AromaticContact CD1-CZ 3.26Å; W312-F356 HydrophobicContact CG-CE1 4.32Å; W312-F356 HydrophobicContact CG-CE2 4.24Å; W312-F356 AromaticContact CG-CZ 3.63Å; W312-F356 HydrophobicContact CG-CZ 3.63Å; V347-F356 HydrophobicContact CG2-CD2 4.37Å; E352-F356 HydrophobicContact CB-CD1 3.66Å; E352-F356 HydrophobicContact CB-CE1 4.3Å; E352-F356 HydrophobicContact CB-CG 4.39Å; E352-F356 HydrophobicContact CG-CD1 3.51Å; E352-F356 HydrophobicContact CG-CE1 3.63Å; E352-F356 HydrophobicContact CG-CG 4.46Å; P353-F356 HydrophobicContact CG-CB 3.84Å; P353-F356 WeakPolarHBondContact O-CB 3.32Å; P353-F356 PolarHBondContact O-N 3.49Å; P354-F356 VanDerWaalsContact C-N 3.31Å; P354-F356 PolarHBondContact O-N 3.19Å; F356-S358 PolarHBondContact O-N 3Å; F356-A359 WeakPolarHBondContact O-CB 3.46Å; F356-A359 PolarHBondContact O-N 3.23Å; F356-F360 HydrophobicContact CD1-CD2 4.28Å; F356-F360 HydrophobicContact CD1-CE2 4.01Å; F356-F360 HydrophobicContact CD2-CE2 4.46Å; F356-F360 HydrophobicContact CE1-CD2 4.01Å; F356-F360 AromaticContact CE1-CE2 3.5Å; F356-F360 HydrophobicContact CE1-CE2 3.5Å; F356-F360 HydrophobicContact CE1-CZ 4.22Å; F356-F360 HydrophobicContact CE2-CE2 4Å; F356-F360 HydrophobicContact CE2-CZ 4.48Å; F356-F360 HydrophobicContact CG-CE2 4.48Å; F356-F360 HydrophobicContact CZ-CD2 4.44Å; F356-F360 AromaticContact CZ-CE2 3.51Å; F356-F360 HydrophobicContact CZ-CE2 3.51Å; F356-F360 AromaticContact CZ-CZ 3.9Å; F356-F360 HydrophobicContact CZ-CZ 3.9Å; F356-F360 WeakPolarHBondContact O-CD2 3.25Å
357	R	65.8	Low	62.2	Low	66 Å²	66	43.9 Å²	43.9	25%	0.249	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-34.6	-179.4	-73.9	-173.7	-109.9	167.9	-12.4	112.5	E352 P353 P354 A359 F360 W362 E365	E352-R357 HydrophobicContact CB-CG 3.75Å; E352-R357 PolarHBondContact O-NE 2.93Å; E352-R357 PolarHBondContact O-NH2 2.96Å; P353-R357 PolarHBondContact O-N 3.23Å; P354-R357 PolarHBondContact O-N 2.8Å; R357-A359 PolarHBondContact O-N 3Å; R357-F360 PolarHBondContact O-N 2.99Å; R357-W362 HydrophobicContact CG-CD2 4.08Å; R357-W362 HydrophobicContact CG-CE3 4.01Å; R357-W362 HydrophobicContact CG-CZ3 4.25Å; R357-E365 IonicContact NH1-OE1 3.16Å; R357-E365 IonicContact NH1-OE2 3.1Å; R357-E365 PolarHBondContact NH1-OE2 2.91Å
358	S	57.3	Low	60.4	Low	20 Å²	20	45.2 Å²	45.2	14%	0.14	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	9	176	57	0	0	0	0	114.6	R306 P354 L355 F356 S367 H369	R306-S358 PolarHBondContact NH1-O 3.42Å; R306-S358 PolarHBondContact NH1-OG 3.42Å; P354-S358 VanDerWaalsContact O-CB 3.3Å; P354-S358 WeakPolarHBondContact O-CB 3.37Å; P354-S358 PolarHBondContact O-N 2.91Å; P354-S358 PolarHBondContact O-OG 2.67Å; L355-S358 WeakPolarHBondContact CA-OG 3.15Å; L355-S358 PolarHBondContact O-OG 3.17Å; L355-S358 VanDerWaalsContact O-OG 3.05Å; F356-S358 PolarHBondContact O-N 3Å; S358-S367 WeakPolarHBondContact CA-OG 3.48Å; S358-S367 VanDerWaalsContact CB-OG 3.27Å; S358-S367 WeakPolarHBondContact CB-OG 3.27Å; S358-H369 PolarHBondContact O-CE1 3.14Å; S358-H369 PolarHBondContact O-ND1 2.87Å; S358-H369 PolarHBondContact O-NE2 3.36Å
359	A	58.9	Low	58.6	Low	2 Å²	2	48.2 Å²	48.2	2%	0.017	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-13.9	162.9	0	0	0	0	0	114	F304 F356 R357 H369	F304-A359 HydrophobicContact CD1-CB 3.78Å; F304-A359 HydrophobicContact CE1-CB 3.11Å; F304-A359 HydrophobicContact CE2-CB 4.13Å; F304-A359 HydrophobicContact CZ-CB 3.31Å; F356-A359 WeakPolarHBondContact O-CB 3.46Å; F356-A359 PolarHBondContact O-N 3.23Å; R357-A359 PolarHBondContact O-N 3Å; A359-H369 VanDerWaalsContact C-NE2 3.34Å; A359-H369 WeakPolarHBondContact CA-NE2 3.2Å; A359-H369 PolarHBondContact O-NE2 2.91Å
360	F	60.4	Low	56.7	Low	1 Å²	1	51.8 Å²	51.8	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	154	-170.7	-60.1	-95.7	0	0	0	110.9	L273 L293 E294 L298 F304 F356 R357 W362	L273-F360 HydrophobicContact CD1-CE1 4.45Å; L273-F360 HydrophobicContact CD1-CZ 4.15Å; L273-F360 HydrophobicContact CD2-CE1 4.37Å; L293-F360 HydrophobicContact CB-CD1 3.54Å; L293-F360 HydrophobicContact CB-CE1 3.84Å; L293-F360 HydrophobicContact CB-CG 4.29Å; L293-F360 HydrophobicContact CD1-CD1 4.48Å; L293-F360 HydrophobicContact CD1-CE1 4.06Å; L293-F360 HydrophobicContact CD1-CZ 4.37Å; L293-F360 HydrophobicContact CG-CE1 4.49Å; L293-F360 CarbonylContact O-C 3.58Å; L293-F360 VanDerWaalsContact O-CA 3.29Å; L293-F360 WeakPolarHBondContact O-CA 3.18Å; E294-F360 WeakPolarHBondContact O-CD1 3.5Å; L298-F360 HydrophobicContact CD1-CD1 4.45Å; L298-F360 HydrophobicContact CD1-CE1 4.16Å; L298-F360 HydrophobicContact CD1-CE2 4.48Å; L298-F360 HydrophobicContact CD1-CZ 4.2Å; L298-F360 HydrophobicContact CD2-CE1 3.69Å; L298-F360 HydrophobicContact CD2-CE2 4.4Å; L298-F360 HydrophobicContact CD2-CZ 3.53Å; L298-F360 HydrophobicContact CG-CD1 4.32Å; L298-F360 HydrophobicContact CG-CE1 3.73Å; L298-F360 HydrophobicContact CG-CZ 3.99Å; F304-F360 HydrophobicContact CB-CZ 4.41Å; F304-F360 HydrophobicContact CD2-CZ 4.41Å; F304-F360 HydrophobicContact CG-CE2 4.46Å; F304-F360 HydrophobicContact CG-CZ 4.32Å; F356-F360 HydrophobicContact CD1-CD2 4.28Å; F356-F360 HydrophobicContact CD1-CE2 4.01Å; F356-F360 HydrophobicContact CD2-CE2 4.46Å; F356-F360 HydrophobicContact CE1-CD2 4.01Å; F356-F360 AromaticContact CE1-CE2 3.5Å; F356-F360 HydrophobicContact CE1-CE2 3.5Å; F356-F360 HydrophobicContact CE1-CZ 4.22Å; F356-F360 HydrophobicContact CE2-CE2 4Å; F356-F360 HydrophobicContact CE2-CZ 4.48Å; F356-F360 HydrophobicContact CG-CE2 4.48Å; F356-F360 HydrophobicContact CZ-CD2 4.44Å; F356-F360 AromaticContact CZ-CE2 3.51Å; F356-F360 HydrophobicContact CZ-CE2 3.51Å; F356-F360 AromaticContact CZ-CZ 3.9Å; F356-F360 HydrophobicContact CZ-CZ 3.9Å; F356-F360 WeakPolarHBondContact O-CD2 3.25Å; R357-F360 PolarHBondContact O-N 2.99Å; F360-W362 HydrophobicContact CB-CE3 4.37Å; F360-W362 PolarHBondContact O-N 3.39Å
361	L	58.5	Low	55	Low	65 Å²	65	49.7 Å²	49.7	34%	0.34	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	92.1	159.5	-67.4	177.4	0	0	0	108.5	P292 L293 R295 P426	P292-L361 HydrophobicContact CB-CD1 3.78Å; P292-L361 HydrophobicContact CB-CG 3.96Å; P292-L361 HydrophobicContact CG-CD1 3.4Å; P292-L361 VanDerWaalsContact CG-CD1 3.4Å; P292-L361 HydrophobicContact CG-CG 4.16Å; L293-L361 PolarHBondContact O-N 2.95Å; R295-L361 PolarHBondContact N-O 2.88Å; L361-P426 HydrophobicContact CD2-CG 4.36Å
362	W	61.7	Low	53.8	Low	24 Å²	24	52.6 Å²	52.6	9%	0.091	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-80.6	134.4	176.9	-150.8	-98.1	0	0	0	110.5	R295 L298 E352 R357 F360 S364 E365	R295-W362 HydrophobicContact CB-CD2 4.48Å; R295-W362 HydrophobicContact CB-CE3 4.06Å; R295-W362 HydrophobicContact CB-CZ3 4.24Å; R295-W362 HydrophobicContact CG-CD2 4.36Å; R295-W362 HydrophobicContact CG-CE3 4.01Å; R295-W362 HydrophobicContact CG-CH2 3.94Å; R295-W362 HydrophobicContact CG-CZ2 4.29Å; R295-W362 HydrophobicContact CG-CZ3 3.79Å; L298-W362 HydrophobicContact CD1-CH2 4.48Å; L298-W362 HydrophobicContact CD1-CZ3 4.02Å; E352-W362 HydrophobicContact CB-CH2 4.47Å; E352-W362 HydrophobicContact CG-CH2 3.88Å; E352-W362 HydrophobicContact CG-CZ3 4.42Å; R357-W362 HydrophobicContact CG-CD2 4.08Å; R357-W362 HydrophobicContact CG-CE3 4.01Å; R357-W362 HydrophobicContact CG-CZ3 4.25Å; F360-W362 HydrophobicContact CB-CE3 4.37Å; F360-W362 PolarHBondContact O-N 3.39Å; W362-S364 PolarHBondContact O-N 3Å; W362-E365 PolarHBondContact O-N 2.86Å
363	P	45.8	Very low	52.5	Low	101 Å²	101	53.4 Å²	53.4	66%	0.656	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	6	-172.5	-24.5	34.2	0	0	0	117.7	R295	R295-P363 HydrophobicContact CB-CG 4.4Å
364	S	48.8	Very low	51.9	Low	94 Å²	94	54.5 Å²	54.5	66%	0.657	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.2	-6.8	177.2	57.7	0	0	0	0	114.9	W362	W362-S364 PolarHBondContact O-N 3Å
365	E	43.9	Very low	51.3	Low	86 Å²	86	53.5 Å²	53.5	40%	0.402	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-146	109.2	-173.7	-73.8	169.2	-179.2	0	0	107.6	R357 W362	R357-E365 IonicContact NH1-OE1 3.16Å; R357-E365 IonicContact NH1-OE2 3.1Å; R357-E365 PolarHBondContact NH1-OE2 2.91Å; W362-E365 PolarHBondContact O-N 2.86Å
366	K	41.7	Very low	50.7	Low	65 Å²	65	50.2 Å²	50.2	28%	0.283	27%	0.271	S	S	.	.			trans	-101.6	105.4	-174.7	-68.3	152.3	-179.1	-107.3	0	108.2	P426 T427	K366-P426 HydrophobicContact CB-CG 4.01Å; K366-P426 HydrophobicContact CD-CB 4.02Å; K366-P426 HydrophobicContact CD-CG 3.39Å; K366-P426 HydrophobicContact CG-CG 3.5Å; K366-P426 VanDerWaalsContact CG-CG 3.5Å; K366-P426 VanDerWaalsContact NZ-CG 3.28Å; K366-P426 PolarHBondContact NZ-O 3.26Å; K366-T427 HydrophobicContact CD-CG2 3.66Å
367	S	44.4	Very low	49.5	Very low	20 Å²	20	57.8 Å²	57.8	14%	0.14	31%	0.311	C	S	.	.			trans	-113.8	133.3	177.1	53.2	0	0	0	0	111	S358 H369	S358-S367 WeakPolarHBondContact CA-OG 3.48Å; S358-S367 VanDerWaalsContact CB-OG 3.27Å; S358-S367 WeakPolarHBondContact CB-OG 3.27Å; S367-H369 PolarHBondContact O-ND1 3.04Å
368	F	42.2	Very low	48.5	Very low	28 Å²	28	57.8 Å²	57.8	12%	0.123	33%	0.332	C	S	.	.			trans	-87.5	155.1	179.9	-93.8	-107	0	0	0	112.6	V373 E420 Y421 H424 N425	F368-V373 HydrophobicContact CB-CG2 4.38Å; F368-E420 WeakPolarHBondContact CE1-O 3.41Å; F368-E420 WeakPolarHBondContact CZ-O 3.23Å; F368-Y421 HydrophobicContact CB-CD2 3.32Å; F368-Y421 HydrophobicContact CB-CE2 3.62Å; F368-Y421 HydrophobicContact CB-CG 4.41Å; F368-Y421 HydrophobicContact CD1-CD2 4.29Å; F368-Y421 AromaticContact CD2-CD2 3.45Å; F368-Y421 HydrophobicContact CD2-CD2 3.45Å; F368-Y421 VanDerWaalsContact CD2-CD2 3.45Å; F368-Y421 AromaticContact CD2-CE2 3.56Å; F368-Y421 HydrophobicContact CD2-CE2 3.56Å; F368-Y421 HydrophobicContact CD2-CG 4.04Å; F368-Y421 WeakPolarHBondContact CD2-O 3.42Å; F368-Y421 HydrophobicContact CE2-CD2 4.21Å; F368-Y421 HydrophobicContact CE2-CE2 4.45Å; F368-Y421 HydrophobicContact CE2-CG 4.37Å; F368-Y421 WeakPolarHBondContact CE2-O 3.31Å; F368-Y421 AromaticContact CG-CD2 3.44Å; F368-Y421 HydrophobicContact CG-CD2 3.44Å; F368-Y421 VanDerWaalsContact CG-CD2 3.44Å; F368-Y421 AromaticContact CG-CE2 3.88Å; F368-Y421 HydrophobicContact CG-CE2 3.88Å; F368-Y421 HydrophobicContact CG-CG 4.17Å; F368-Y421 WeakPolarHBondContact CZ-O 3.49Å; F368-H424 HydrophobicContact CE1-CB 3.36Å; F368-H424 AromaticContact CE1-CG 3.69Å; F368-H424 AromaticContact CE1-ND1 3.52Å; F368-H424 HydrophobicContact CE2-CB 4.07Å; F368-H424 HydrophobicContact CZ-CB 3.13Å; F368-H424 AromaticContact CZ-CG 3.9Å; F368-H424 AromaticContact CZ-ND1 3.97Å; F368-N425 HydrophobicContact CE2-CB 4.11Å; F368-N425 VanDerWaalsContact CE2-N 3.28Å; F368-N425 VanDerWaalsContact CZ-N 3.32Å
369	H	42.9	Very low	48.3	Very low	80 Å²	80	56.9 Å²	56.9	37%	0.37	33%	0.325	S	S	.	.	S	Bend	trans	-107.1	4.8	-164.9	-80.7	58	0	0	0	115.8	S358 A359 S367	S358-H369 PolarHBondContact O-CE1 3.14Å; S358-H369 PolarHBondContact O-ND1 2.87Å; S358-H369 PolarHBondContact O-NE2 3.36Å; A359-H369 VanDerWaalsContact C-NE2 3.34Å; A359-H369 WeakPolarHBondContact CA-NE2 3.2Å; A359-H369 PolarHBondContact O-NE2 2.91Å; S367-H369 PolarHBondContact O-ND1 3.04Å
370	E	41.7	Very low	48.2	Very low	130 Å²	130	60.3 Å²	60.3	61%	0.607	34%	0.343	S	S	*	.	S	Bend	trans	-116.1	10.4	-170.1	-73.2	175.4	156.9	0	0	114.9
371	M	43.4	Very low	48.2	Very low	36 Å²	36	60.9 Å²	60.9	18%	0.177	35%	0.346	C	S	.	.	S	Bend	trans	-152.1	166.3	171.6	-87.6	179	-64	0	0	111.3	V373 I391 N417	M371-V373 HydrophobicContact CB-CG2 3.81Å; M371-V373 HydrophobicContact CE-CG2 4.29Å; M371-V373 PolarHBondContact O-N 3.13Å; M371-I391 HydrophobicContact CE-CD1 3.1Å; M371-I391 HydrophobicContact CE-CG1 3.89Å; M371-I391 HydrophobicContact SD-CD1 3.37Å; M371-I391 WeakPolarHBondContact SD-CD1 3.45Å; M371-I391 HydrophobicContact SD-CG1 3.64Å; M371-N417 HydrophobicContact CE-CB 3.2Å; M371-N417 WeakPolarHBondContact CE-O 3.38Å; M371-N417 HydrophobicContact CG-CB 3.74Å; M371-N417 HydrophobicContact SD-CB 3.1Å; M371-N417 WeakPolarHBondContact SD-CB 3.19Å
372	N	48.2	Very low	48.3	Very low	83 Å²	83	61.7 Å²	61.7	44%	0.444	35%	0.348	S	S	.	.			trans	-63.1	70.4	158.3	-70.9	-23.6	0	0	0	109.8	V374 M390 I391	N372-V374 PolarHBondContact O-N 3.34Å; N372-M390 HydrophobicContact CB-CE 3.89Å; N372-M390 HydrophobicContact CB-SD 3.56Å; N372-M390 VanDerWaalsContact CB-SD 3.56Å; N372-I391 PolarHBondContact O-N 2.96Å
373	V	48.4	Very low	48.5	Very low	25 Å²	25	62.7 Å²	62.7	15%	0.152	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	111.1	171.3	-173	0	0	0	0	106.6	F368 M371 I391 Y421	F368-V373 HydrophobicContact CB-CG2 4.38Å; M371-V373 HydrophobicContact CB-CG2 3.81Å; M371-V373 HydrophobicContact CE-CG2 4.29Å; M371-V373 PolarHBondContact O-N 3.13Å; V373-I391 HydrophobicContact CB-CB 4.48Å; V373-I391 HydrophobicContact CG1-CB 4.3Å; V373-I391 HydrophobicContact CG1-CG2 4.04Å; V373-I391 HydrophobicContact CG2-CB 4.25Å; V373-Y421 HydrophobicContact CB-CD2 4.34Å; V373-Y421 HydrophobicContact CB-CE2 4.07Å; V373-Y421 HydrophobicContact CG1-CD2 3.84Å; V373-Y421 HydrophobicContact CG1-CE2 3.23Å; V373-Y421 HydrophobicContact CG2-CD2 3.66Å; V373-Y421 HydrophobicContact CG2-CE2 3.89Å
374	V	49.6	Very low	49.7	Very low	41 Å²	41	58.4 Å²	58.4	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.4	173.8	-151.8	0	0	0	0	107.6	N372 V379 M390 I391	N372-V374 PolarHBondContact O-N 3.34Å; V374-V379 HydrophobicContact CB-CG1 4.45Å; V374-V379 HydrophobicContact CB-CG2 3.84Å; V374-V379 HydrophobicContact CG1-CB 4.29Å; V374-V379 HydrophobicContact CG1-CG1 4.15Å; V374-V379 HydrophobicContact CG1-CG2 3.37Å; V374-M390 HydrophobicContact CG2-CE 3.8Å; V374-I391 PolarHBondContact N-O 3.25Å
375	V	49.4	Very low	50.6	Low	64 Å²	64	58.1 Å²	58.1	39%	0.388	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	130.8	174.9	-179.7	0	0	0	0	107.6	D377 V379	V375-D377 PolarHBondContact O-N 3.1Å; V375-V379 WeakPolarHBondContact O-CG2 3.42Å
376	A	47.3	Very low	51.9	Low	24 Å²	24	56.4 Å²	56.4	20%	0.198	30%	0.304	C	S	.	.	S	Bend	trans	-51.5	-27.5	-171.3	0	0	0	0	0	114.7	G378 V379 L392 D393 T394	A376-G378 VanDerWaalsContact C-N 3.31Å; A376-G378 PolarHBondContact O-N 2.98Å; A376-V379 PolarHBondContact O-N 3.49Å; A376-L392 HydrophobicContact CB-CD1 3.7Å; A376-L392 HydrophobicContact CB-CG 4.44Å; A376-D393 PolarHBondContact N-O 3.17Å; A376-T394 HydrophobicContact CB-CG2 4.29Å
377	D	40.2	Very low	52.8	Low	158 Å²	158	55.1 Å²	55.1	85%	0.845	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	78.9	-178.2	-138.8	5.4	0	0	0	111.4	V375	V375-D377 PolarHBondContact O-N 3.1Å
378	G	43.2	Very low	54	Low	66 Å²	66	55.3 Å²	55.3	68%	0.68	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	128.6	1.7	179.6	0	0	0	0	0	115.5	A376	A376-G378 VanDerWaalsContact C-N 3.31Å; A376-G378 PolarHBondContact O-N 2.98Å
379	V	54.7	Low	55.7	Low	2 Å²	2	54.7 Å²	54.7	1%	0.012	30%	0.298	C	S	.	.			trans	-77.4	127.4	178.7	-164.2	0	0	0	0	110.1	V374 V375 A376 D383 L392 F452	V374-V379 HydrophobicContact CB-CG1 4.45Å; V374-V379 HydrophobicContact CB-CG2 3.84Å; V374-V379 HydrophobicContact CG1-CB 4.29Å; V374-V379 HydrophobicContact CG1-CG1 4.15Å; V374-V379 HydrophobicContact CG1-CG2 3.37Å; V375-V379 WeakPolarHBondContact O-CG2 3.42Å; A376-V379 PolarHBondContact O-N 3.49Å; V379-D383 HydrophobicContact CG1-CB 4.05Å; V379-L392 HydrophobicContact CB-CD1 4.47Å; V379-L392 HydrophobicContact CG2-CD1 3.92Å; V379-F452 HydrophobicContact CB-CE1 4.24Å; V379-F452 HydrophobicContact CG1-CD1 4.34Å; V379-F452 HydrophobicContact CG1-CE1 3.64Å; V379-F452 HydrophobicContact CG1-CZ 4.41Å
380	I	56.8	Low	57.5	Low	74 Å²	74	51.2 Å²	51.2	38%	0.379	28%	0.282	S	S	.	.			trans	-104.7	155.6	169.3	56	171.5	0	0	0	109.6	Q382 D383	I380-Q382 HydrophobicContact CD1-CB 3.79Å; I380-Q382 HydrophobicContact CD1-CG 4.05Å; I380-Q382 HydrophobicContact CG1-CB 3.99Å; I380-Q382 HydrophobicContact CG1-CG 4.49Å; I380-Q382 PolarHBondContact O-N 3.39Å; I380-D383 VanDerWaalsContact CG1-OD2 3.26Å; I380-D383 WeakPolarHBondContact CG1-OD2 3.28Å; I380-D383 PolarHBondContact N-OD2 3.47Å; I380-D383 WeakPolarHBondContact O-CB 3.35Å; I380-D383 PolarHBondContact O-N 3.33Å
381	L	60.5	Low	59.3	Low	12 Å²	12	45.1 Å²	45.1	6%	0.063	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-50.7	-26.8	177	177.5	65.3	0	0	0	112.2	D383 L384 W455 D456 K459	L381-D383 VanDerWaalsContact C-N 3.27Å; L381-D383 PolarHBondContact O-N 2.96Å; L381-L384 HydrophobicContact CD1-CD1 4.24Å; L381-L384 PolarHBondContact O-N 3.31Å; L381-W455 HydrophobicContact CD1-CD2 4.01Å; L381-W455 HydrophobicContact CD1-CE3 3.64Å; L381-W455 HydrophobicContact CD1-CH2 3.4Å; L381-W455 VanDerWaalsContact CD1-CH2 3.4Å; L381-W455 HydrophobicContact CD1-CZ2 3.82Å; L381-W455 HydrophobicContact CD1-CZ3 3.33Å; L381-D456 HydrophobicContact CD2-CB 4.17Å; L381-K459 HydrophobicContact CD1-CD 3.92Å; L381-K459 HydrophobicContact CD2-CB 4.13Å; L381-K459 HydrophobicContact CD2-CD 3.55Å; L381-K459 HydrophobicContact CD2-CG 4.41Å; L381-K459 HydrophobicContact CG-CD 3.45Å; L381-K459 VanDerWaalsContact CG-CD 3.45Å; L381-K459 PolarHBondContact O-NZ 3.43Å
382	Q	60.6	Low	61.1	Low	82 Å²	82	43.8 Å²	43.8	38%	0.383	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-70.9	-18.2	-179.7	-56	175.6	19.6	0	0	113.9	I380 L384	I380-Q382 HydrophobicContact CD1-CB 3.79Å; I380-Q382 HydrophobicContact CD1-CG 4.05Å; I380-Q382 HydrophobicContact CG1-CB 3.99Å; I380-Q382 HydrophobicContact CG1-CG 4.49Å; I380-Q382 PolarHBondContact O-N 3.39Å; Q382-L384 VanDerWaalsContact C-N 3.26Å
383	D	64.3	Low	62.4	Low	46 Å²	46	40.2 Å²	40.2	25%	0.246	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-82.1	-6.9	178.5	-54.7	-34.7	0	0	0	112.1	V379 I380 L381 Y385 M390	V379-D383 HydrophobicContact CG1-CB 4.05Å; I380-D383 VanDerWaalsContact CG1-OD2 3.26Å; I380-D383 WeakPolarHBondContact CG1-OD2 3.28Å; I380-D383 PolarHBondContact N-OD2 3.47Å; I380-D383 WeakPolarHBondContact O-CB 3.35Å; I380-D383 PolarHBondContact O-N 3.33Å; L381-D383 VanDerWaalsContact C-N 3.27Å; L381-D383 PolarHBondContact O-N 2.96Å; D383-Y385 WeakPolarHBondContact O-CD2 3.42Å; D383-Y385 WeakPolarHBondContact O-CE2 3.38Å; D383-M390 WeakPolarHBondContact O-CE 3.44Å
384	L	71.9	Confident	63.4	Low	10 Å²	10	40.4 Å²	40.4	5%	0.052	23%	0.229	C	C	.	.			trans	-85.9	112.5	172.8	-59.9	-178.8	0	0	0	110.2	L381 Q382 M390 W401 F448 F452 W455 K459 W460	L381-L384 HydrophobicContact CD1-CD1 4.24Å; L381-L384 PolarHBondContact O-N 3.31Å; Q382-L384 VanDerWaalsContact C-N 3.26Å; L384-M390 HydrophobicContact CD2-CB 4.33Å; L384-M390 HydrophobicContact CD2-CG 4.37Å; L384-W401 HydrophobicContact CB-CD2 4.36Å; L384-W401 HydrophobicContact CB-CE3 4.31Å; L384-W401 HydrophobicContact CB-CH2 4.06Å; L384-W401 HydrophobicContact CB-CZ2 4.09Å; L384-W401 HydrophobicContact CB-CZ3 4.19Å; L384-W401 HydrophobicContact CD1-CD2 4.2Å; L384-W401 HydrophobicContact CD1-CG 4.31Å; L384-W401 HydrophobicContact CD1-CZ2 4.36Å; L384-W401 HydrophobicContact CD2-CB 4.43Å; L384-W401 HydrophobicContact CD2-CD2 4.09Å; L384-W401 HydrophobicContact CD2-CE3 4.26Å; L384-W401 HydrophobicContact CD2-CG 4.18Å; L384-W401 HydrophobicContact CG-CD2 4.46Å; L384-F448 HydrophobicContact CD1-CE1 3.84Å; L384-F448 HydrophobicContact CD1-CZ 3.92Å; L384-F448 HydrophobicContact CD2-CZ 4.38Å; L384-F452 HydrophobicContact CD1-CE1 4.07Å; L384-F452 HydrophobicContact CD1-CZ 3.82Å; L384-F452 HydrophobicContact CD2-CZ 4.34Å; L384-F452 HydrophobicContact CG-CE1 4.23Å; L384-F452 HydrophobicContact CG-CZ 4.28Å; L384-W455 HydrophobicContact CD1-CH2 3.71Å; L384-W455 HydrophobicContact CD1-CZ3 3.86Å; L384-K459 PolarHBondContact O-NZ 3.44Å; L384-W460 HydrophobicContact CB-CZ2 4.36Å
385	Y	67.2	Low	64.2	Low	89 Å²	89	44 Å²	44	35%	0.349	25%	0.246	S	C	.	.			trans	-98.8	122.4	-177.9	-59.5	-71.4	0	0	0	112	D383 D387 D388 M390 W401	D383-Y385 WeakPolarHBondContact O-CD2 3.42Å; D383-Y385 WeakPolarHBondContact O-CE2 3.38Å; Y385-D387 PolarHBondContact O-N 3.08Å; Y385-D388 PolarHBondContact O-N 2.94Å; Y385-M390 HydrophobicContact CD2-CE 3.87Å; Y385-M390 HydrophobicContact CD2-SD 4.22Å; Y385-M390 HydrophobicContact CE2-CE 4.14Å; Y385-W401 WeakPolarHBondContact O-CZ3 3.27Å
386	E	71.1	Confident	65.1	Low	50 Å²	50	46.4 Å²	46.4	23%	0.234	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.4	-176.9	-55.8	-169.9	-135.3	0	0	114.1	G403 K404 Y405 A406 Q441 W460	E386-G403 CarbonylContact O-C 3.57Å; E386-G403 WeakPolarHBondContact O-CA 3.21Å; E386-K404 PolarHBondContact O-N 3.34Å; E386-Y405 HydrophobicContact CB-CD2 3.73Å; E386-Y405 HydrophobicContact CB-CE2 4.2Å; E386-Y405 CarbonylContact O-C 3.59Å; E386-Y405 WeakPolarHBondContact O-CA 3.13Å; E386-Y405 PolarHBondContact O-N 3.2Å; E386-Y405 WeakPolarHBondContact OE2-CE2 2.88Å; E386-A406 PolarHBondContact O-N 3.14Å; E386-Q441 PolarHBondContact OE2-NE2 2.96Å; E386-W460 HydrophobicContact CG-CE3 3.96Å; E386-W460 HydrophobicContact CG-CH2 3.88Å; E386-W460 HydrophobicContact CG-CZ3 3.3Å; E386-W460 WeakPolarHBondContact OE1-CZ3 3.25Å
387	D	62	Low	66.5	Low	37 Å²	37	47.1 Å²	47.1	20%	0.198	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	8.6	-179.5	59.4	-20.1	0	0	0	114.8	R161 Y385 A406	R161-D387 IonicContact CZ-OD2 2.72Å; R161-D387 VanDerWaalsContact CZ-OD2 3.27Å; R161-D387 IonicContact NE-OD1 3.19Å; R161-D387 IonicContact NE-OD2 3.24Å; R161-D387 PolarHBondContact NE-OD2 2.86Å; R161-D387 IonicContact NH2-OD1 3.61Å; R161-D387 IonicContact NH2-OD2 3.78Å; R161-D387 PolarHBondContact NH2-OD2 3.3Å; Y385-D387 PolarHBondContact O-N 3.08Å; D387-A406 WeakPolarHBondContact O-CA 3.32Å
388	D	69	Low	68.5	Low	25 Å²	25	39.6 Å²	39.6	13%	0.134	22%	0.216	C	C	.	.	S	Bend	trans	-123.3	167.7	176.8	-77.7	-39.8	0	0	0	112.6	Y385 M390 G403	Y385-D388 PolarHBondContact O-N 2.94Å; D388-M390 HydrophobicContact CB-SD 3.98Å; D388-G403 WeakPolarHBondContact O-CA 3.23Å; D388-G403 PolarHBondContact O-N 3.25Å
389	V	77.6	Confident	70.5	Confident	15 Å²	15	36.5 Å²	36.5	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.9	162.8	177.9	0	0	0	0	108.7	I400 W401 I402 A406 E410 K411 A414	V389-I400 HydrophobicContact CG1-CG2 3.46Å; V389-I400 VanDerWaalsContact CG1-CG2 3.46Å; V389-W401 WeakPolarHBondContact CA-O 2.99Å; V389-I402 HydrophobicContact CG1-CG1 4.31Å; V389-I402 HydrophobicContact CG2-CG1 4.25Å; V389-I402 HydrophobicContact CG2-CG2 4.42Å; V389-A406 HydrophobicContact CG2-CB 3.93Å; V389-E410 HydrophobicContact CB-CB 4.43Å; V389-E410 HydrophobicContact CG2-CB 3.85Å; V389-K411 HydrophobicContact CG2-CG 4.45Å; V389-A414 HydrophobicContact CG1-CB 3.79Å
390	M	80.5	Confident	72.1	Confident	7 Å²	7	36.4 Å²	36.4	3%	0.034	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.5	-175.4	-53.5	-63.9	-84.4	0	0	110.4	N372 V374 D383 L384 Y385 D388 I400 W401	N372-M390 HydrophobicContact CB-CE 3.89Å; N372-M390 HydrophobicContact CB-SD 3.56Å; N372-M390 VanDerWaalsContact CB-SD 3.56Å; V374-M390 HydrophobicContact CG2-CE 3.8Å; D383-M390 WeakPolarHBondContact O-CE 3.44Å; L384-M390 HydrophobicContact CD2-CB 4.33Å; L384-M390 HydrophobicContact CD2-CG 4.37Å; Y385-M390 HydrophobicContact CD2-CE 3.87Å; Y385-M390 HydrophobicContact CD2-SD 4.22Å; Y385-M390 HydrophobicContact CE2-CE 4.14Å; D388-M390 HydrophobicContact CB-SD 3.98Å; M390-I400 CarbonylContact O-C 3.56Å; M390-I400 WeakPolarHBondContact O-CA 3.28Å; M390-W401 HydrophobicContact CB-CB 4.49Å; M390-W401 HydrophobicContact CG-CE3 4.25Å; M390-W401 PolarHBondContact N-O 3.04Å; M390-W401 PolarHBondContact O-N 2.91Å
391	I	80.6	Confident	73.6	Confident	1 Å²	1	33 Å²	33	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.6	171.1	-63.3	-152.4	0	0	0	110.2	M371 N372 V373 V374 I398 F399 I400 A418	M371-I391 HydrophobicContact CE-CD1 3.1Å; M371-I391 HydrophobicContact CE-CG1 3.89Å; M371-I391 HydrophobicContact SD-CD1 3.37Å; M371-I391 WeakPolarHBondContact SD-CD1 3.45Å; M371-I391 HydrophobicContact SD-CG1 3.64Å; N372-I391 PolarHBondContact O-N 2.96Å; V373-I391 HydrophobicContact CB-CB 4.48Å; V373-I391 HydrophobicContact CG1-CB 4.3Å; V373-I391 HydrophobicContact CG1-CG2 4.04Å; V373-I391 HydrophobicContact CG2-CB 4.25Å; V374-I391 PolarHBondContact N-O 3.25Å; I391-I398 HydrophobicContact CG2-CG2 3.8Å; I391-F399 WeakPolarHBondContact CA-O 3.14Å; I391-I400 HydrophobicContact CD1-CG1 4.37Å; I391-A418 VanDerWaalsContact CD1-CA 3.49Å; I391-A418 HydrophobicContact CD1-CB 3.47Å; I391-A418 VanDerWaalsContact CD1-CB 3.47Å
392	L	79.3	Confident	74.9	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	110.5	173.9	178.5	72.8	0	0	0	109.1	A376 V379 T394 F399 F448 C451 F452	A376-L392 HydrophobicContact CB-CD1 3.7Å; A376-L392 HydrophobicContact CB-CG 4.44Å; V379-L392 HydrophobicContact CB-CD1 4.47Å; V379-L392 HydrophobicContact CG2-CD1 3.92Å; L392-T394 HydrophobicContact CD2-CG2 4.43Å; L392-T394 HydrophobicContact CG-CG2 4.27Å; L392-F399 HydrophobicContact CB-CB 4.18Å; L392-F399 HydrophobicContact CD2-CD2 4.05Å; L392-F399 HydrophobicContact CG-CD2 4.49Å; L392-F399 PolarHBondContact N-O 2.99Å; L392-F399 PolarHBondContact O-N 3.19Å; L392-F448 HydrophobicContact CB-CE2 4.47Å; L392-F448 HydrophobicContact CD2-CD2 4.02Å; L392-F448 HydrophobicContact CD2-CE2 3.68Å; L392-F448 HydrophobicContact CD2-CZ 4.32Å; L392-C451 HydrophobicContact CD2-CB 3.75Å; L392-F452 HydrophobicContact CD2-CE2 4.04Å; L392-F452 HydrophobicContact CD2-CZ 4.13Å
393	D	76.8	Confident	75.7	Confident	8 Å²	8	29 Å²	29	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.4	172.8	-178.1	10.1	0	0	0	109.8	A376 L395 Y421 R429	A376-D393 PolarHBondContact N-O 3.17Å; D393-L395 WeakPolarHBondContact OD1-CA 3.5Å; D393-L395 PolarHBondContact OD1-N 3.37Å; D393-Y421 HydrophobicContact CB-CE1 3.91Å; D393-Y421 VanDerWaalsContact CB-OH 3.31Å; D393-Y421 WeakPolarHBondContact CB-OH 3.09Å; D393-Y421 PolarHBondContact OD2-OH 3.19Å; D393-R429 IonicContact OD1-NH1 3.9Å; D393-R429 PolarHBondContact OD1-NH1 3.47Å; D393-R429 VanDerWaalsContact OD1-NH1 3.16Å; D393-R429 IonicContact OD2-CZ 3.95Å; D393-R429 IonicContact OD2-NH1 3.69Å; D393-R429 PolarHBondContact OD2-NH1 2.97Å; D393-R429 VanDerWaalsContact OD2-NH1 3.1Å; D393-R429 IonicContact OD2-NH2 3.89Å
394	T	69.6	Low	76.3	Confident	29 Å²	29	32.5 Å²	32.5	18%	0.178	16%	0.16	C	C	.	.			trans	-102.2	10.8	177.6	61.7	0	0	0	0	113.4	A376 L392 D396 Q397 F399 C451	A376-T394 HydrophobicContact CB-CG2 4.29Å; L392-T394 HydrophobicContact CD2-CG2 4.43Å; L392-T394 HydrophobicContact CG-CG2 4.27Å; T394-D396 WeakPolarHBondContact CB-OD1 3.41Å; T394-D396 PolarHBondContact O-N 2.93Å; T394-D396 VanDerWaalsContact O-N 3.16Å; T394-D396 PolarHBondContact OG1-OD1 3.37Å; T394-Q397 PolarHBondContact N-O 3.36Å; T394-Q397 PolarHBondContact OG1-N 3.09Å; T394-Q397 PolarHBondContact OG1-O 2.78Å; T394-F399 HydrophobicContact CG2-CD2 4.04Å; T394-F399 HydrophobicContact CG2-CE2 3.86Å; T394-C451 HydrophobicContact CG2-CB 4.49Å; T394-C451 WeakPolarHBondContact CG2-SG 3.47Å
395	L	65.6	Low	76.3	Confident	117 Å²	117	38 Å²	38	61%	0.613	18%	0.181	S	C	*	.	S	Bend	trans	78	-47.5	-172	-49.2	173.6	0	0	0	114.6	D393 R429	D393-L395 WeakPolarHBondContact OD1-CA 3.5Å; D393-L395 PolarHBondContact OD1-N 3.37Å; L395-R429 PolarHBondContact O-NH1 2.93Å; L395-R429 VanDerWaalsContact O-NH1 3.14Å
396	D	68.3	Low	76.4	Confident	115 Å²	115	34 Å²	34	62%	0.615	17%	0.166	S	C	*	.	S	Bend	trans	-91.1	-24.4	-178.4	64.3	-24	0	0	0	113.9	T394	T394-D396 WeakPolarHBondContact CB-OD1 3.41Å; T394-D396 PolarHBondContact O-N 2.93Å; T394-D396 VanDerWaalsContact O-N 3.16Å; T394-D396 PolarHBondContact OG1-OD1 3.37Å
397	Q	77.1	Confident	76.2	Confident	38 Å²	38	33.2 Å²	33.2	18%	0.178	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.7	-178	-169	170.9	-2.7	0	0	109.7	T394 F399 N435 T437	T394-Q397 PolarHBondContact N-O 3.36Å; T394-Q397 PolarHBondContact OG1-N 3.09Å; T394-Q397 PolarHBondContact OG1-O 2.78Å; Q397-F399 HydrophobicContact CB-CE2 4.45Å; Q397-F399 HydrophobicContact CG-CE2 4.34Å; Q397-F399 HydrophobicContact CG-CZ 4.24Å; Q397-N435 HydrophobicContact CG-CB 4.13Å; Q397-N435 VanDerWaalsContact CG-O 3.23Å; Q397-N435 WeakPolarHBondContact CG-O 3.43Å; Q397-T437 PolarHBondContact NE2-OG1 3.43Å
398	I	81.8	Confident	76.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.2	169.5	-67.8	-175.2	0	0	0	108.8	I391 Y421 L422 I434 N435 I436 T437	I391-I398 HydrophobicContact CG2-CG2 3.8Å; I398-Y421 HydrophobicContact CD1-CD1 3.38Å; I398-Y421 HydrophobicContact CD1-CE1 3.6Å; I398-Y421 HydrophobicContact CG1-CE1 4.47Å; I398-L422 HydrophobicContact CD1-CD1 4.07Å; I398-L422 HydrophobicContact CD1-CD2 3.29Å; I398-L422 HydrophobicContact CD1-CG 3.47Å; I398-L422 VanDerWaalsContact CD1-CG 3.47Å; I398-L422 HydrophobicContact CG1-CD2 4.27Å; I398-I434 HydrophobicContact CG1-CG2 4.15Å; I398-N435 PolarHBondContact N-O 3.46Å; I398-I436 CarbonylContact O-C 3.54Å; I398-I436 WeakPolarHBondContact O-CA 3.43Å; I398-T437 PolarHBondContact O-N 3.43Å
399	F	84.8	Confident	76.7	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.9	168.8	-58.7	-87.1	0	0	0	110.7	I391 L392 T394 Q397 T437 V439 F448	I391-F399 WeakPolarHBondContact CA-O 3.14Å; L392-F399 HydrophobicContact CB-CB 4.18Å; L392-F399 HydrophobicContact CD2-CD2 4.05Å; L392-F399 HydrophobicContact CG-CD2 4.49Å; L392-F399 PolarHBondContact N-O 2.99Å; L392-F399 PolarHBondContact O-N 3.19Å; T394-F399 HydrophobicContact CG2-CD2 4.04Å; T394-F399 HydrophobicContact CG2-CE2 3.86Å; Q397-F399 HydrophobicContact CB-CE2 4.45Å; Q397-F399 HydrophobicContact CG-CE2 4.34Å; Q397-F399 HydrophobicContact CG-CZ 4.24Å; F399-T437 CarbonylContact C-O 3.56Å; F399-T437 VanDerWaalsContact CA-O 3.28Å; F399-T437 WeakPolarHBondContact CA-O 3.12Å; F399-T437 HydrophobicContact CD1-CG2 4.02Å; F399-T437 HydrophobicContact CE1-CG2 4.13Å; F399-V439 HydrophobicContact CB-CG2 4.41Å; F399-V439 HydrophobicContact CD1-CG2 3.67Å; F399-V439 HydrophobicContact CE1-CG2 4.45Å; F399-V439 HydrophobicContact CG-CG2 4.48Å; F399-F448 HydrophobicContact CB-CD2 3.6Å; F399-F448 HydrophobicContact CB-CE2 3.71Å; F399-F448 HydrophobicContact CD1-CB 4.21Å; F399-F448 AromaticContact CD1-CD2 3.69Å; F399-F448 HydrophobicContact CD1-CD2 3.69Å; F399-F448 HydrophobicContact CD1-CG 4.45Å; F399-F448 HydrophobicContact CD2-CD2 4.05Å; F399-F448 HydrophobicContact CE1-CB 4.06Å; F399-F448 HydrophobicContact CE1-CD2 4.32Å; F399-F448 AromaticContact CG-CD2 3.52Å; F399-F448 HydrophobicContact CG-CD2 3.52Å; F399-F448 HydrophobicContact CG-CE2 4.14Å; F399-F448 HydrophobicContact CZ-CB 4.45Å
400	I	89.2	Confident	76.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	107	164.4	-56.2	166.8	0	0	0	106.9	V389 M390 I391 I402 A414 L415 A418 I436 T437 V438 V439	V389-I400 HydrophobicContact CG1-CG2 3.46Å; V389-I400 VanDerWaalsContact CG1-CG2 3.46Å; M390-I400 CarbonylContact O-C 3.56Å; M390-I400 WeakPolarHBondContact O-CA 3.28Å; I391-I400 HydrophobicContact CD1-CG1 4.37Å; I400-I402 HydrophobicContact CG2-CG1 4.21Å; I400-A414 HydrophobicContact CG2-CB 3.97Å; I400-L415 HydrophobicContact CD1-CD1 4.27Å; I400-A418 HydrophobicContact CD1-CB 3.49Å; I400-A418 VanDerWaalsContact CD1-CB 3.49Å; I400-A418 HydrophobicContact CG1-CB 3.79Å; I400-I436 HydrophobicContact CD1-CG2 3.5Å; I400-I436 HydrophobicContact CG1-CG2 3.92Å; I400-T437 PolarHBondContact N-O 3.24Å; I400-V438 HydrophobicContact CB-CG2 4.45Å; I400-V438 HydrophobicContact CD1-CG2 4.19Å; I400-V438 CarbonylContact O-C 3.5Å; I400-V438 WeakPolarHBondContact O-CA 3.49Å; I400-V439 PolarHBondContact O-N 2.64Å
401	W	88.8	Confident	76.2	Confident	1 Å²	1	46 Å²	46	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.4	176.6	-173	93.5	0	0	0	109.5	L384 Y385 V389 M390 V439 Q441 E444 F448 W460	L384-W401 HydrophobicContact CB-CD2 4.36Å; L384-W401 HydrophobicContact CB-CE3 4.31Å; L384-W401 HydrophobicContact CB-CH2 4.06Å; L384-W401 HydrophobicContact CB-CZ2 4.09Å; L384-W401 HydrophobicContact CB-CZ3 4.19Å; L384-W401 HydrophobicContact CD1-CD2 4.2Å; L384-W401 HydrophobicContact CD1-CG 4.31Å; L384-W401 HydrophobicContact CD1-CZ2 4.36Å; L384-W401 HydrophobicContact CD2-CB 4.43Å; L384-W401 HydrophobicContact CD2-CD2 4.09Å; L384-W401 HydrophobicContact CD2-CE3 4.26Å; L384-W401 HydrophobicContact CD2-CG 4.18Å; L384-W401 HydrophobicContact CG-CD2 4.46Å; Y385-W401 WeakPolarHBondContact O-CZ3 3.27Å; V389-W401 WeakPolarHBondContact CA-O 2.99Å; M390-W401 HydrophobicContact CB-CB 4.49Å; M390-W401 HydrophobicContact CG-CE3 4.25Å; M390-W401 PolarHBondContact N-O 3.04Å; M390-W401 PolarHBondContact O-N 2.91Å; W401-V439 CarbonylContact C-O 3.59Å; W401-V439 WeakPolarHBondContact CA-O 3.42Å; W401-Q441 HydrophobicContact CH2-CB 3.98Å; W401-Q441 HydrophobicContact CH2-CG 4.12Å; W401-Q441 HydrophobicContact CZ2-CB 3.54Å; W401-Q441 HydrophobicContact CZ2-CG 3.67Å; W401-E444 PolarHBondContact NE1-OE1 2.88Å; W401-E444 VanDerWaalsContact NE1-OE1 3.08Å; W401-F448 HydrophobicContact CB-CE2 4.01Å; W401-F448 HydrophobicContact CB-CZ 3.8Å; W401-F448 AromaticContact CD1-CE1 3.5Å; W401-F448 VanDerWaalsContact CD1-CE1 3.5Å; W401-F448 AromaticContact CD1-CZ 3.28Å; W401-F448 HydrophobicContact CG-CE1 4.34Å; W401-F448 HydrophobicContact CG-CE2 4.36Å; W401-F448 AromaticContact CG-CZ 3.72Å; W401-F448 HydrophobicContact CG-CZ 3.72Å; W401-W460 HydrophobicContact CH2-CH2 4.14Å; W401-W460 HydrophobicContact CH2-CZ2 4.07Å; W401-W460 HydrophobicContact CZ2-CH2 4.14Å; W401-W460 AromaticContact CZ2-CZ2 3.59Å; W401-W460 HydrophobicContact CZ2-CZ2 3.59Å
402	I	86	Confident	75.9	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.056	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.6	-177.5	-61.8	-178.8	0	0	0	108.9	V389 I400 A406 K411 V438 V439 Q441	V389-I402 HydrophobicContact CG1-CG1 4.31Å; V389-I402 HydrophobicContact CG2-CG1 4.25Å; V389-I402 HydrophobicContact CG2-CG2 4.42Å; I400-I402 HydrophobicContact CG2-CG1 4.21Å; I402-A406 HydrophobicContact CG2-CB 4.3Å; I402-K411 HydrophobicContact CG2-CD 4.27Å; I402-K411 HydrophobicContact CG2-CG 3.87Å; I402-V438 HydrophobicContact CD1-CG1 3.52Å; I402-V438 HydrophobicContact CG1-CG1 4.16Å; I402-V439 PolarHBondContact N-O 3.26Å; I402-Q441 PolarHBondContact O-N 2.94Å
403	G	77.9	Confident	75.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.			trans	-65.4	147.4	172.3	0	0	0	0	0	112.4	E386 D388 Y405 A406	E386-G403 CarbonylContact O-C 3.57Å; E386-G403 WeakPolarHBondContact O-CA 3.21Å; D388-G403 WeakPolarHBondContact O-CA 3.23Å; D388-G403 PolarHBondContact O-N 3.25Å; G403-Y405 PolarHBondContact O-N 3.49Å; G403-A406 VanDerWaalsContact O-CB 3.31Å; G403-A406 WeakPolarHBondContact O-CB 3.21Å; G403-A406 PolarHBondContact O-N 3.37Å; G403-A406 VanDerWaalsContact O-N 3.14Å
404	K	78.3	Confident	75.9	Confident	120 Å²	120	53 Å²	53	52%	0.522	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.9	-178.8	-178.6	178.7	178.8	-171.5	0	113.6	E386 Q441	E386-K404 PolarHBondContact O-N 3.34Å; K404-Q441 HydrophobicContact CB-CB 4.45Å
405	Y	71	Confident	76.4	Confident	126 Å²	126	56.3 Å²	56.3	49%	0.494	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	10.2	-178.5	-51.1	-63.9	0	0	0	113.2	E386 G403	E386-Y405 HydrophobicContact CB-CD2 3.73Å; E386-Y405 HydrophobicContact CB-CE2 4.2Å; E386-Y405 CarbonylContact O-C 3.59Å; E386-Y405 WeakPolarHBondContact O-CA 3.13Å; E386-Y405 PolarHBondContact O-N 3.2Å; E386-Y405 WeakPolarHBondContact OE2-CE2 2.88Å; G403-Y405 PolarHBondContact O-N 3.49Å
406	A	68.2	Low	76.9	Confident	5 Å²	5	57.9 Å²	57.9	4%	0.041	27%	0.271	C	S	.	.			trans	-55.2	142.7	173.7	0	0	0	0	0	110.7	E386 D387 V389 I402 G403 K411	E386-A406 PolarHBondContact O-N 3.14Å; D387-A406 WeakPolarHBondContact O-CA 3.32Å; V389-A406 HydrophobicContact CG2-CB 3.93Å; I402-A406 HydrophobicContact CG2-CB 4.3Å; G403-A406 VanDerWaalsContact O-CB 3.31Å; G403-A406 WeakPolarHBondContact O-CB 3.21Å; G403-A406 PolarHBondContact O-N 3.37Å; G403-A406 VanDerWaalsContact O-N 3.14Å; A406-K411 HydrophobicContact CB-CG 4.28Å; A406-K411 WeakPolarHBondContact O-CE 3.12Å; A406-K411 PolarHBondContact O-NZ 3.07Å
407	S	68.7	Low	77.2	Confident	32 Å²	32	53.8 Å²	53.8	22%	0.224	25%	0.249	C	C	.	.			trans	-67.1	154.7	179.6	66	0	0	0	0	111.5	E409 E410 K411	S407-E409 WeakPolarHBondContact CB-OE2 3.26Å; S407-E409 PolarHBondContact O-N 2.78Å; S407-E410 WeakPolarHBondContact CB-OE2 3.41Å; S407-E410 PolarHBondContact N-OE2 2.71Å; S407-E410 PolarHBondContact O-N 3.21Å; S407-E410 WeakPolarHBondContact OG-CB 3.48Å; S407-E410 WeakPolarHBondContact OG-CG 3.23Å; S407-E410 PolarHBondContact OG-N 2.79Å; S407-E410 PolarHBondContact OG-OE2 3Å; S407-K411 WeakPolarHBondContact O-CG 3.28Å; S407-K411 PolarHBondContact O-N 3.01Å
408	E	72.4	Confident	77.1	Confident	105 Å²	105	52 Å²	52	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-32.4	177	-71.1	-56.9	126.3	0	0	111.1	K411 Q412	E408-K411 PolarHBondContact O-N 2.99Å; E408-K411 IonicContact OE1-NZ 3.65Å; E408-K411 PolarHBondContact OE1-NZ 2.79Å; E408-Q412 WeakPolarHBondContact O-CB 3.23Å; E408-Q412 VanDerWaalsContact O-CG 3.23Å; E408-Q412 WeakPolarHBondContact O-CG 3.41Å; E408-Q412 PolarHBondContact O-N 2.76Å
409	E	68.3	Low	76.8	Confident	138 Å²	138	54.7 Å²	54.7	65%	0.645	26%	0.257	S	S	*	.	H	α-helix	trans	-61.5	-46.1	174.3	-63.2	74.6	-162.4	0	0	111.7	S407 Q412 A413	S407-E409 WeakPolarHBondContact CB-OE2 3.26Å; S407-E409 PolarHBondContact O-N 2.78Å; E409-Q412 PolarHBondContact O-N 2.77Å; E409-A413 VanDerWaalsContact O-CB 3.29Å; E409-A413 WeakPolarHBondContact O-CB 3.3Å; E409-A413 PolarHBondContact O-N 2.65Å
410	E	71.2	Confident	76.2	Confident	46 Å²	46	57.7 Å²	57.7	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-41.7	177.5	-74.6	152.9	174.3	0	0	111.8	R265 V389 S407 Q412 A413 A414	R265-E410 IonicContact NH2-OE1 3.05Å; R265-E410 PolarHBondContact NH2-OE1 2.81Å; R265-E410 VanDerWaalsContact NH2-OE1 3.16Å; V389-E410 HydrophobicContact CB-CB 4.43Å; V389-E410 HydrophobicContact CG2-CB 3.85Å; S407-E410 WeakPolarHBondContact CB-OE2 3.41Å; S407-E410 PolarHBondContact N-OE2 2.71Å; S407-E410 PolarHBondContact O-N 3.21Å; S407-E410 WeakPolarHBondContact OG-CB 3.48Å; S407-E410 WeakPolarHBondContact OG-CG 3.23Å; S407-E410 PolarHBondContact OG-N 2.79Å; S407-E410 PolarHBondContact OG-OE2 3Å; E410-Q412 VanDerWaalsContact C-N 3.35Å; E410-Q412 PolarHBondContact O-N 2.75Å; E410-A413 PolarHBondContact O-N 3.32Å; E410-A414 WeakPolarHBondContact O-CB 3.37Å; E410-A414 PolarHBondContact O-N 2.86Å
411	K	77.3	Confident	75.3	Confident	63 Å²	63	57.8 Å²	57.8	27%	0.274	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-40.7	176.5	-69.7	175.2	-165.3	160.5	0	112.3	V389 I402 A406 S407 E408 A414	V389-K411 HydrophobicContact CG2-CG 4.45Å; I402-K411 HydrophobicContact CG2-CD 4.27Å; I402-K411 HydrophobicContact CG2-CG 3.87Å; A406-K411 HydrophobicContact CB-CG 4.28Å; A406-K411 WeakPolarHBondContact O-CE 3.12Å; A406-K411 PolarHBondContact O-NZ 3.07Å; S407-K411 WeakPolarHBondContact O-CG 3.28Å; S407-K411 PolarHBondContact O-N 3.01Å; E408-K411 PolarHBondContact O-N 2.99Å; E408-K411 IonicContact OE1-NZ 3.65Å; E408-K411 PolarHBondContact OE1-NZ 2.79Å; K411-A414 WeakPolarHBondContact O-CB 3.4Å
412	Q	74.1	Confident	74.4	Confident	146 Å²	146	58 Å²	58	68%	0.682	27%	0.273	S	S	*	.	H	α-helix	trans	-70.1	-35.3	176.8	-72.8	176.9	13.8	0	0	112.1	E408 E409 E410	E408-Q412 WeakPolarHBondContact O-CB 3.23Å; E408-Q412 VanDerWaalsContact O-CG 3.23Å; E408-Q412 WeakPolarHBondContact O-CG 3.41Å; E408-Q412 PolarHBondContact O-N 2.76Å; E409-Q412 PolarHBondContact O-N 2.77Å; E410-Q412 VanDerWaalsContact C-N 3.35Å; E410-Q412 PolarHBondContact O-N 2.75Å
413	A	74.5	Confident	73.6	Confident	13 Å²	13	63 Å²	63	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-74.3	-27.4	177.4	0	0	0	0	0	113.1	E409 E410 L415 R416 N417	E409-A413 VanDerWaalsContact O-CB 3.29Å; E409-A413 WeakPolarHBondContact O-CB 3.3Å; E409-A413 PolarHBondContact O-N 2.65Å; E410-A413 PolarHBondContact O-N 3.32Å; A413-L415 PolarHBondContact O-N 3.39Å; A413-R416 PolarHBondContact O-N 3.06Å; A413-R416 VanDerWaalsContact O-N 3.16Å; A413-N417 WeakPolarHBondContact O-CB 3.42Å; A413-N417 PolarHBondContact O-N 2.85Å; A413-N417 PolarHBondContact O-OD1 3.29Å; A413-N417 VanDerWaalsContact O-OD1 3.13Å
414	A	80.4	Confident	72.8	Confident	5 Å²	5	68.5 Å²	68.5	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-42.3	-57.6	-174.2	0	0	0	0	0	114.7	V389 I400 E410 K411 A418	V389-A414 HydrophobicContact CG1-CB 3.79Å; I400-A414 HydrophobicContact CG2-CB 3.97Å; E410-A414 WeakPolarHBondContact O-CB 3.37Å; E410-A414 PolarHBondContact O-N 2.86Å; K411-A414 WeakPolarHBondContact O-CB 3.4Å; A414-A418 WeakPolarHBondContact O-CB 3.48Å; A414-A418 PolarHBondContact O-N 3.16Å
415	L	79.9	Confident	71.7	Confident	99 Å²	99	63.3 Å²	63.3	52%	0.518	30%	0.303	S	S	.	.	H	α-helix	trans	-70.5	-40.7	-175.8	-172.1	69.6	0	0	0	112.2	I400 A413 N417 A418 T419 I436	I400-L415 HydrophobicContact CD1-CD1 4.27Å; A413-L415 PolarHBondContact O-N 3.39Å; L415-N417 VanDerWaalsContact C-N 3.34Å; L415-A418 PolarHBondContact O-N 2.84Å; L415-T419 WeakPolarHBondContact O-CB 3.32Å; L415-T419 PolarHBondContact O-N 3.34Å; L415-T419 PolarHBondContact O-OG1 3.29Å; L415-I436 HydrophobicContact CD1-CD1 4.4Å; L415-I436 HydrophobicContact CD1-CG2 4.23Å
416	R	77.2	Confident	70.7	Confident	151 Å²	151	60.1 Å²	60.1	57%	0.57	30%	0.297	S	S	*	.	H	α-helix	trans	-59.2	-51.2	176.6	176.6	-176.3	62.9	-127.4	-1.9	109.6	A413 A418 T419 E420	A413-R416 PolarHBondContact O-N 3.06Å; A413-R416 VanDerWaalsContact O-N 3.16Å; R416-A418 VanDerWaalsContact C-N 3.31Å; R416-A418 PolarHBondContact O-N 2.83Å; R416-T419 WeakPolarHBondContact O-CB 3.36Å; R416-T419 PolarHBondContact O-N 3.36Å; R416-T419 VanDerWaalsContact O-N 3.17Å; R416-E420 WeakPolarHBondContact O-CB 3.14Å; R416-E420 PolarHBondContact O-N 2.99Å
417	N	73.4	Confident	69.9	Low	29 Å²	29	61.9 Å²	61.9	16%	0.155	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-37.1	-177.2	-59.2	-2.2	0	0	0	110.5	M371 A413 L415 E420 Y421	M371-N417 HydrophobicContact CE-CB 3.2Å; M371-N417 WeakPolarHBondContact CE-O 3.38Å; M371-N417 HydrophobicContact CG-CB 3.74Å; M371-N417 HydrophobicContact SD-CB 3.1Å; M371-N417 WeakPolarHBondContact SD-CB 3.19Å; A413-N417 WeakPolarHBondContact O-CB 3.42Å; A413-N417 PolarHBondContact O-N 2.85Å; A413-N417 PolarHBondContact O-OD1 3.29Å; A413-N417 VanDerWaalsContact O-OD1 3.13Å; L415-N417 VanDerWaalsContact C-N 3.34Å; N417-E420 WeakPolarHBondContact O-CB 3.39Å; N417-E420 PolarHBondContact O-N 2.85Å; N417-Y421 WeakPolarHBondContact O-CB 3.29Å; N417-Y421 PolarHBondContact O-N 2.77Å
418	A	76.2	Confident	69.2	Low	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.2	-34.7	174.7	0	0	0	0	0	113.3	I391 I400 A414 L415 R416 Y421 L422 I436	I391-A418 VanDerWaalsContact CD1-CA 3.49Å; I391-A418 HydrophobicContact CD1-CB 3.47Å; I391-A418 VanDerWaalsContact CD1-CB 3.47Å; I400-A418 HydrophobicContact CD1-CB 3.49Å; I400-A418 VanDerWaalsContact CD1-CB 3.49Å; I400-A418 HydrophobicContact CG1-CB 3.79Å; A414-A418 WeakPolarHBondContact O-CB 3.48Å; A414-A418 PolarHBondContact O-N 3.16Å; L415-A418 PolarHBondContact O-N 2.84Å; R416-A418 VanDerWaalsContact C-N 3.31Å; R416-A418 PolarHBondContact O-N 2.83Å; A418-Y421 WeakPolarHBondContact O-CB 3.47Å; A418-Y421 PolarHBondContact O-N 2.96Å; A418-L422 PolarHBondContact O-N 3.42Å; A418-I436 HydrophobicContact CB-CD1 4.32Å; A418-I436 HydrophobicContact CB-CG2 4.35Å
419	T	75.9	Confident	68.5	Low	56 Å²	56	64.4 Å²	64.4	34%	0.344	33%	0.328	S	S	.	.	H	α-helix	trans	-69.6	-41.4	174.5	-54.1	0	0	0	0	110.2	L415 R416 Y421 L422 N423	L415-T419 WeakPolarHBondContact O-CB 3.32Å; L415-T419 PolarHBondContact O-N 3.34Å; L415-T419 PolarHBondContact O-OG1 3.29Å; R416-T419 WeakPolarHBondContact O-CB 3.36Å; R416-T419 PolarHBondContact O-N 3.36Å; R416-T419 VanDerWaalsContact O-N 3.17Å; T419-Y421 VanDerWaalsContact C-N 3.31Å; T419-Y421 PolarHBondContact O-N 3.21Å; T419-L422 PolarHBondContact O-N 2.76Å; T419-L422 VanDerWaalsContact O-N 3.08Å; T419-N423 WeakPolarHBondContact O-CB 3.49Å; T419-N423 VanDerWaalsContact O-CG 3.23Å; T419-N423 PolarHBondContact O-N 2.66Å; T419-N423 PolarHBondContact O-ND2 3Å
420	E	71	Confident	67.8	Low	66 Å²	66	60.7 Å²	60.7	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-43	173.4	-172.6	154.4	-141.7	0	0	111.2	F368 R416 N417 L422 N423 H424	F368-E420 WeakPolarHBondContact CE1-O 3.41Å; F368-E420 WeakPolarHBondContact CZ-O 3.23Å; R416-E420 WeakPolarHBondContact O-CB 3.14Å; R416-E420 PolarHBondContact O-N 2.99Å; N417-E420 WeakPolarHBondContact O-CB 3.39Å; N417-E420 PolarHBondContact O-N 2.85Å; E420-L422 VanDerWaalsContact C-N 3.29Å; E420-L422 PolarHBondContact O-N 3.05Å; E420-N423 PolarHBondContact O-N 3.19Å; E420-H424 PolarHBondContact O-N 2.91Å; E420-H424 PolarHBondContact O-ND1 2.69Å
421	Y	71	Confident	67.1	Low	1 Å²	1	60 Å²	60	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-56.4	-34.8	169.7	-179.7	-85.1	0	0	0	113.8	F368 V373 D393 I398 N417 A418 T419	F368-Y421 HydrophobicContact CB-CD2 3.32Å; F368-Y421 HydrophobicContact CB-CE2 3.62Å; F368-Y421 HydrophobicContact CB-CG 4.41Å; F368-Y421 HydrophobicContact CD1-CD2 4.29Å; F368-Y421 AromaticContact CD2-CD2 3.45Å; F368-Y421 HydrophobicContact CD2-CD2 3.45Å; F368-Y421 VanDerWaalsContact CD2-CD2 3.45Å; F368-Y421 AromaticContact CD2-CE2 3.56Å; F368-Y421 HydrophobicContact CD2-CE2 3.56Å; F368-Y421 HydrophobicContact CD2-CG 4.04Å; F368-Y421 WeakPolarHBondContact CD2-O 3.42Å; F368-Y421 HydrophobicContact CE2-CD2 4.21Å; F368-Y421 HydrophobicContact CE2-CE2 4.45Å; F368-Y421 HydrophobicContact CE2-CG 4.37Å; F368-Y421 WeakPolarHBondContact CE2-O 3.31Å; F368-Y421 AromaticContact CG-CD2 3.44Å; F368-Y421 HydrophobicContact CG-CD2 3.44Å; F368-Y421 VanDerWaalsContact CG-CD2 3.44Å; F368-Y421 AromaticContact CG-CE2 3.88Å; F368-Y421 HydrophobicContact CG-CE2 3.88Å; F368-Y421 HydrophobicContact CG-CG 4.17Å; F368-Y421 WeakPolarHBondContact CZ-O 3.49Å; V373-Y421 HydrophobicContact CB-CD2 4.34Å; V373-Y421 HydrophobicContact CB-CE2 4.07Å; V373-Y421 HydrophobicContact CG1-CD2 3.84Å; V373-Y421 HydrophobicContact CG1-CE2 3.23Å; V373-Y421 HydrophobicContact CG2-CD2 3.66Å; V373-Y421 HydrophobicContact CG2-CE2 3.89Å; D393-Y421 HydrophobicContact CB-CE1 3.91Å; D393-Y421 VanDerWaalsContact CB-OH 3.31Å; D393-Y421 WeakPolarHBondContact CB-OH 3.09Å; D393-Y421 PolarHBondContact OD2-OH 3.19Å; I398-Y421 HydrophobicContact CD1-CD1 3.38Å; I398-Y421 HydrophobicContact CD1-CE1 3.6Å; I398-Y421 HydrophobicContact CG1-CE1 4.47Å; N417-Y421 WeakPolarHBondContact O-CB 3.29Å; N417-Y421 PolarHBondContact O-N 2.77Å; A418-Y421 WeakPolarHBondContact O-CB 3.47Å; A418-Y421 PolarHBondContact O-N 2.96Å; T419-Y421 VanDerWaalsContact C-N 3.31Å; T419-Y421 PolarHBondContact O-N 3.21Å
422	L	69.9	Low	66.3	Low	7 Å²	7	64.8 Å²	64.8	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-77.3	-42.1	175.1	-78.5	168.6	0	0	0	111.8	I398 A418 T419 E420 H424 N425 I434 I436	I398-L422 HydrophobicContact CD1-CD1 4.07Å; I398-L422 HydrophobicContact CD1-CD2 3.29Å; I398-L422 HydrophobicContact CD1-CG 3.47Å; I398-L422 VanDerWaalsContact CD1-CG 3.47Å; I398-L422 HydrophobicContact CG1-CD2 4.27Å; A418-L422 PolarHBondContact O-N 3.42Å; T419-L422 PolarHBondContact O-N 2.76Å; T419-L422 VanDerWaalsContact O-N 3.08Å; E420-L422 VanDerWaalsContact C-N 3.29Å; E420-L422 PolarHBondContact O-N 3.05Å; L422-H424 PolarHBondContact O-N 2.89Å; L422-N425 VanDerWaalsContact O-CB 3.22Å; L422-N425 WeakPolarHBondContact O-CB 3.18Å; L422-N425 PolarHBondContact O-N 2.78Å; L422-I434 HydrophobicContact CD2-CB 3.99Å; L422-I434 HydrophobicContact CD2-CD1 3.82Å; L422-I434 HydrophobicContact CD2-CG1 4.45Å; L422-I434 HydrophobicContact CD2-CG2 3.94Å; L422-I436 HydrophobicContact CD1-CD1 3.62Å; L422-I436 HydrophobicContact CD1-CG1 3.62Å
423	N	67.8	Low	66	Low	114 Å²	114	66 Å²	66	61%	0.61	35%	0.354	S	S	*	.	H	α-helix	trans	-68.5	-37	-170.1	-73.4	-19.7	0	0	0	113.7	T419 E420	T419-N423 WeakPolarHBondContact O-CB 3.49Å; T419-N423 VanDerWaalsContact O-CG 3.23Å; T419-N423 PolarHBondContact O-N 2.66Å; T419-N423 PolarHBondContact O-ND2 3Å; E420-N423 PolarHBondContact O-N 3.19Å
424	H	61.9	Low	65.9	Low	117 Å²	117	66.2 Å²	66.2	54%	0.542	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	10.1	171.9	-36.1	69.2	0	0	0	113.3	F368 E420 L422 P426	F368-H424 HydrophobicContact CE1-CB 3.36Å; F368-H424 AromaticContact CE1-CG 3.69Å; F368-H424 AromaticContact CE1-ND1 3.52Å; F368-H424 HydrophobicContact CE2-CB 4.07Å; F368-H424 HydrophobicContact CZ-CB 3.13Å; F368-H424 AromaticContact CZ-CG 3.9Å; F368-H424 AromaticContact CZ-ND1 3.97Å; E420-H424 PolarHBondContact O-N 2.91Å; E420-H424 PolarHBondContact O-ND1 2.69Å; L422-H424 PolarHBondContact O-N 2.89Å; H424-P426 WeakPolarHBondContact O-CD 3.16Å
425	N	56.4	Low	65.9	Low	10 Å²	10	71.4 Å²	71.4	5%	0.053	38%	0.38	C	S	.	.			trans	-69.4	112.3	174.6	-168.1	-41.9	0	0	0	107.4	F368 L422 T427	F368-N425 HydrophobicContact CE2-CB 4.11Å; F368-N425 VanDerWaalsContact CE2-N 3.28Å; F368-N425 VanDerWaalsContact CZ-N 3.32Å; L422-N425 VanDerWaalsContact O-CB 3.22Å; L422-N425 WeakPolarHBondContact O-CB 3.18Å; L422-N425 PolarHBondContact O-N 2.78Å; N425-T427 PolarHBondContact O-N 2.9Å; N425-T427 VanDerWaalsContact O-N 3.16Å; N425-T427 WeakPolarHBondContact OD1-CB 3.1Å; N425-T427 PolarHBondContact OD1-N 2.98Å; N425-T427 PolarHBondContact OD1-OG1 3.34Å
426	P	48.2	Very low	66.2	Low	59 Å²	59	69 Å²	69	38%	0.383	37%	0.367	S	S	.	.			trans	-82.2	6.8	-172	24.7	-17.8	0	0	0	112.7	L361 K366 H424	L361-P426 HydrophobicContact CD2-CG 4.36Å; K366-P426 HydrophobicContact CB-CG 4.01Å; K366-P426 HydrophobicContact CD-CB 4.02Å; K366-P426 HydrophobicContact CD-CG 3.39Å; K366-P426 HydrophobicContact CG-CG 3.5Å; K366-P426 VanDerWaalsContact CG-CG 3.5Å; K366-P426 VanDerWaalsContact NZ-CG 3.28Å; K366-P426 PolarHBondContact NZ-O 3.26Å; H424-P426 WeakPolarHBondContact O-CD 3.16Å
427	T	53.1	Low	66.6	Low	42 Å²	42	63.8 Å²	63.8	26%	0.258	35%	0.352	S	S	.	.	S	Bend	trans	-72	141.3	159.7	57	0	0	0	0	106.9	K366 N425 R429	K366-T427 HydrophobicContact CD-CG2 3.66Å; N425-T427 PolarHBondContact O-N 2.9Å; N425-T427 VanDerWaalsContact O-N 3.16Å; N425-T427 WeakPolarHBondContact OD1-CB 3.1Å; N425-T427 PolarHBondContact OD1-N 2.98Å; N425-T427 PolarHBondContact OD1-OG1 3.34Å; T427-R429 PolarHBondContact O-N 3.08Å; T427-R429 VanDerWaalsContact OG1-CD 3.23Å; T427-R429 WeakPolarHBondContact OG1-CD 3.36Å; T427-R429 WeakPolarHBondContact OG1-CG 3.2Å; T427-R429 PolarHBondContact OG1-NE 3.29Å
428	S	52.8	Low	67.4	Low	130 Å²	130	66.1 Å²	66.1	91%	0.909	37%	0.367	S	S	*	.	S	Bend	trans	-65.5	25.1	-179.8	-36.7	0	0	0	0	114.1	S430	S428-S430 PolarHBondContact O-N 3.47Å
429	R	58.5	Low	68	Low	61 Å²	61	66.2 Å²	66.2	23%	0.23	37%	0.368	C	S	.	.			trans	-62.3	98.1	170.2	-75.7	-170.1	-130.9	169.3	7.3	107.9	D393 L395 T427 G431 I434	D393-R429 IonicContact OD1-NH1 3.9Å; D393-R429 PolarHBondContact OD1-NH1 3.47Å; D393-R429 VanDerWaalsContact OD1-NH1 3.16Å; D393-R429 IonicContact OD2-CZ 3.95Å; D393-R429 IonicContact OD2-NH1 3.69Å; D393-R429 PolarHBondContact OD2-NH1 2.97Å; D393-R429 VanDerWaalsContact OD2-NH1 3.1Å; D393-R429 IonicContact OD2-NH2 3.89Å; L395-R429 PolarHBondContact O-NH1 2.93Å; L395-R429 VanDerWaalsContact O-NH1 3.14Å; T427-R429 PolarHBondContact O-N 3.08Å; T427-R429 VanDerWaalsContact OG1-CD 3.23Å; T427-R429 WeakPolarHBondContact OG1-CD 3.36Å; T427-R429 WeakPolarHBondContact OG1-CG 3.2Å; T427-R429 PolarHBondContact OG1-NE 3.29Å; R429-G431 PolarHBondContact O-N 3.03Å; R429-I434 HydrophobicContact CB-CD1 3.54Å; R429-I434 HydrophobicContact CG-CD1 3.68Å
430	S	54	Low	68.6	Low	60 Å²	60	67.7 Å²	67.7	42%	0.42	37%	0.371	S	S	.	.			trans	-58.2	123.4	168.5	-55.4	0	0	0	0	108.1	S428 D432 K433	S428-S430 PolarHBondContact O-N 3.47Å; S430-D432 PolarHBondContact O-N 3.29Å; S430-K433 PolarHBondContact O-N 3.17Å
431	G	56	Low	69.2	Low	30 Å²	30	65.8 Å²	65.8	31%	0.309	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-50.1	-28.7	176.4	0	0	0	0	0	112.8	R429 K433	R429-G431 PolarHBondContact O-N 3.03Å; G431-K433 PolarHBondContact O-N 3.39Å
432	D	61	Low	69.6	Low	165 Å²	165	68.1 Å²	68.1	88%	0.882	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-66.9	-11.2	176.6	-55.4	-20.9	0	0	0	115.2	S430	S430-D432 PolarHBondContact O-N 3.29Å
433	K	66.3	Low	70.3	Confident	171 Å²	171	74.1 Å²	74.1	74%	0.743	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-110.8	-7.4	-176.4	-66.5	-174.8	-179.2	178.6	0	114.3	S430 G431	S430-K433 PolarHBondContact O-N 3.17Å; G431-K433 PolarHBondContact O-N 3.39Å
434	I	72.9	Confident	71.2	Confident	18 Å²	18	69.7 Å²	69.7	9%	0.092	39%	0.393	C	S	.	.	S	Bend	trans	-107.7	125.4	-176.6	-61.5	-176.6	0	0	0	109.7	I398 L422 R429 I436	I398-I434 HydrophobicContact CG1-CG2 4.15Å; L422-I434 HydrophobicContact CD2-CB 3.99Å; L422-I434 HydrophobicContact CD2-CD1 3.82Å; L422-I434 HydrophobicContact CD2-CG1 4.45Å; L422-I434 HydrophobicContact CD2-CG2 3.94Å; R429-I434 HydrophobicContact CB-CD1 3.54Å; R429-I434 HydrophobicContact CG-CD1 3.68Å; I434-I436 PolarHBondContact O-N 3.22Å
435	N	80.7	Confident	72.4	Confident	113 Å²	113	66.6 Å²	66.6	60%	0.604	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	125.8	176.8	-67.5	-32.7	0	0	0	109.7	Q397 I398	Q397-N435 HydrophobicContact CG-CB 4.13Å; Q397-N435 VanDerWaalsContact CG-O 3.23Å; Q397-N435 WeakPolarHBondContact CG-O 3.43Å; I398-N435 PolarHBondContact N-O 3.46Å
436	I	85.3	Confident	73.7	Confident	50 Å²	50	71.1 Å²	71.1	26%	0.256	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.5	163.9	-54.9	177.2	0	0	0	107.3	I398 I400 L415 A418 L422 I434	I398-I436 CarbonylContact O-C 3.54Å; I398-I436 WeakPolarHBondContact O-CA 3.43Å; I400-I436 HydrophobicContact CD1-CG2 3.5Å; I400-I436 HydrophobicContact CG1-CG2 3.92Å; L415-I436 HydrophobicContact CD1-CD1 4.4Å; L415-I436 HydrophobicContact CD1-CG2 4.23Å; A418-I436 HydrophobicContact CB-CD1 4.32Å; A418-I436 HydrophobicContact CB-CG2 4.35Å; L422-I436 HydrophobicContact CD1-CD1 3.62Å; L422-I436 HydrophobicContact CD1-CG1 3.62Å; I434-I436 PolarHBondContact O-N 3.22Å
437	T	86.6	Confident	75.4	Confident	40 Å²	40	72 Å²	72	25%	0.245	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.2	179.1	-66	0	0	0	0	110.4	Q397 I398 F399 I400 V439	Q397-T437 PolarHBondContact NE2-OG1 3.43Å; I398-T437 PolarHBondContact O-N 3.43Å; F399-T437 CarbonylContact C-O 3.56Å; F399-T437 VanDerWaalsContact CA-O 3.28Å; F399-T437 WeakPolarHBondContact CA-O 3.12Å; F399-T437 HydrophobicContact CD1-CG2 4.02Å; F399-T437 HydrophobicContact CE1-CG2 4.13Å; I400-T437 PolarHBondContact N-O 3.24Å; T437-V439 HydrophobicContact CG2-CG2 4.2Å
438	V	89.8	Confident	77	Confident	78 Å²	78	70 Å²	70	47%	0.473	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.3	174.7	-178	0	0	0	0	108.6	I400 I402	I400-V438 HydrophobicContact CB-CG2 4.45Å; I400-V438 HydrophobicContact CD1-CG2 4.19Å; I400-V438 CarbonylContact O-C 3.5Å; I400-V438 WeakPolarHBondContact O-CA 3.49Å; I402-V438 HydrophobicContact CD1-CG1 3.52Å; I402-V438 HydrophobicContact CG1-CG1 4.16Å
439	V	89	Confident	78.5	Confident	3 Å²	3	65 Å²	65	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.2	179	-177.1	0	0	0	0	107.8	F399 I400 W401 I402 T437 E444 F448	F399-V439 HydrophobicContact CB-CG2 4.41Å; F399-V439 HydrophobicContact CD1-CG2 3.67Å; F399-V439 HydrophobicContact CE1-CG2 4.45Å; F399-V439 HydrophobicContact CG-CG2 4.48Å; I400-V439 PolarHBondContact O-N 2.64Å; W401-V439 CarbonylContact C-O 3.59Å; W401-V439 WeakPolarHBondContact CA-O 3.42Å; I402-V439 PolarHBondContact N-O 3.26Å; T437-V439 HydrophobicContact CG2-CG2 4.2Å; V439-E444 HydrophobicContact CG1-CB 4.08Å; V439-E444 HydrophobicContact CG1-CG 3.72Å; V439-F448 HydrophobicContact CB-CD2 4.39Å; V439-F448 HydrophobicContact CG1-CD1 4.37Å; V439-F448 HydrophobicContact CG1-CD2 4.45Å; V439-F448 HydrophobicContact CG1-CG 4.23Å; V439-F448 HydrophobicContact CG2-CB 4.29Å; V439-F448 HydrophobicContact CG2-CD2 3.89Å; V439-F448 HydrophobicContact CG2-CG 4.19Å
440	Q	88.2	Confident	79.6	Confident	87 Å²	87	66.4 Å²	66.4	41%	0.407	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.8	174.3	-65.2	-72.5	-20.3	0	0	109.2	G442 L443	Q440-G442 PolarHBondContact O-N 3.44Å; Q440-L443 HydrophobicContact CB-CB 4.25Å; Q440-L443 HydrophobicContact CB-CD1 4.13Å; Q440-L443 HydrophobicContact CB-CG 4.47Å; Q440-L443 CarbonylContact O-C 3.58Å; Q440-L443 WeakPolarHBondContact O-CA 3.26Å; Q440-L443 PolarHBondContact O-N 3.47Å
441	Q	83.1	Confident	80.6	Confident	26 Å²	26	65 Å²	65	12%	0.121	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	131.3	171.8	178.1	-178.2	-21.5	0	0	111	E386 W401 I402 K404 L443 W460	E386-Q441 PolarHBondContact OE2-NE2 2.96Å; W401-Q441 HydrophobicContact CH2-CB 3.98Å; W401-Q441 HydrophobicContact CH2-CG 4.12Å; W401-Q441 HydrophobicContact CZ2-CB 3.54Å; W401-Q441 HydrophobicContact CZ2-CG 3.67Å; I402-Q441 PolarHBondContact O-N 2.94Å; K404-Q441 HydrophobicContact CB-CB 4.45Å; Q441-L443 PolarHBondContact O-N 3.46Å; Q441-W460 HydrophobicContact CG-CD2 3.97Å; Q441-W460 HydrophobicContact CG-CE3 4.49Å; Q441-W460 HydrophobicContact CG-CG 4.05Å; Q441-W460 HydrophobicContact CG-CZ2 4.42Å; Q441-W460 VanDerWaalsContact NE2-CE3 3.35Å
442	G	80	Confident	81.4	Confident	49 Å²	49	64.1 Å²	64.1	51%	0.505	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-6.5	-177.8	0	0	0	0	0	114.9	Q440 E444	Q440-G442 PolarHBondContact O-N 3.44Å; G442-E444 VanDerWaalsContact C-OE2 3.28Å; G442-E444 WeakPolarHBondContact CA-OE2 3.2Å; G442-E444 VanDerWaalsContact N-CD 3.25Å; G442-E444 PolarHBondContact N-OE1 3.27Å; G442-E444 PolarHBondContact N-OE2 2.99Å
443	L	85.1	Confident	81.7	Confident	133 Å²	133	62.1 Å²	62.1	70%	0.696	36%	0.361	S	S	*	.			trans	-116.6	29.3	174.6	-60.7	179	0	0	0	111.4	Q440 Q441 T445	Q440-L443 HydrophobicContact CB-CB 4.25Å; Q440-L443 HydrophobicContact CB-CD1 4.13Å; Q440-L443 HydrophobicContact CB-CG 4.47Å; Q440-L443 CarbonylContact O-C 3.58Å; Q440-L443 WeakPolarHBondContact O-CA 3.26Å; Q440-L443 PolarHBondContact O-N 3.47Å; Q441-L443 PolarHBondContact O-N 3.46Å; L443-T445 PolarHBondContact O-N 2.96Å
444	E	87	Confident	81.7	Confident	22 Å²	22	61.3 Å²	61.3	10%	0.103	35%	0.354	C	S	.	.			trans	-66.2	126.3	-177.8	-59.5	90.8	166.1	0	0	112.4	W401 V439 G442 F448 T449 W455 W460	W401-E444 PolarHBondContact NE1-OE1 2.88Å; W401-E444 VanDerWaalsContact NE1-OE1 3.08Å; V439-E444 HydrophobicContact CG1-CB 4.08Å; V439-E444 HydrophobicContact CG1-CG 3.72Å; G442-E444 VanDerWaalsContact C-OE2 3.28Å; G442-E444 WeakPolarHBondContact CA-OE2 3.2Å; G442-E444 VanDerWaalsContact N-CD 3.25Å; G442-E444 PolarHBondContact N-OE1 3.27Å; G442-E444 PolarHBondContact N-OE2 2.99Å; E444-F448 HydrophobicContact CB-CD1 3.81Å; E444-F448 HydrophobicContact CB-CE1 4.47Å; E444-F448 HydrophobicContact CG-CD1 3.77Å; E444-F448 HydrophobicContact CG-CE1 3.94Å; E444-T449 HydrophobicContact CB-CG2 3.74Å; E444-W455 HydrophobicContact CB-CH2 4.16Å; E444-W455 HydrophobicContact CB-CZ2 3.69Å; E444-W455 VanDerWaalsContact CD-CZ2 3.41Å; E444-W455 HydrophobicContact CG-CH2 3.62Å; E444-W455 HydrophobicContact CG-CZ2 3.4Å; E444-W455 VanDerWaalsContact CG-CZ2 3.4Å; E444-W460 PolarHBondContact OE1-NE1 3.02Å
445	T	85.8	Confident	81.7	Confident	51 Å²	51	62.3 Å²	62.3	31%	0.313	36%	0.357	S	S	.	.			trans	-74.6	155.5	180	61.1	0	0	0	0	111.2	L443 T447 F448 T449	L443-T445 PolarHBondContact O-N 2.96Å; T445-T447 PolarHBondContact O-N 2.94Å; T445-T447 VanDerWaalsContact O-N 3.15Å; T445-T447 PolarHBondContact OG1-OG1 3.31Å; T445-F448 WeakPolarHBondContact O-CB 3.5Å; T445-F448 PolarHBondContact O-N 3.3Å; T445-F448 PolarHBondContact OG1-N 3.5Å; T445-T449 WeakPolarHBondContact O-CG2 3.42Å; T445-T449 PolarHBondContact O-N 3.05Å; T445-T449 PolarHBondContact O-OG1 2.98Å
446	P	84.8	Confident	81.3	Confident	106 Å²	106	57.8 Å²	57.8	69%	0.688	33%	0.333	S	S	*	.	H	α-helix	trans	-51.2	-39.6	173.9	-28.9	36.3	0	0	0	113.4	T449 S450	P446-T449 WeakPolarHBondContact CA-OG1 3.24Å; P446-T449 PolarHBondContact O-N 3.25Å; P446-T449 PolarHBondContact O-OG1 3.17Å; P446-S450 PolarHBondContact O-N 2.72Å; P446-S450 PolarHBondContact O-OG 3Å
447	T	83.7	Confident	80.5	Confident	77 Å²	77	62.2 Å²	62.2	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-38	176.6	45.5	0	0	0	0	113.5	T445 S450 C451	T445-T447 PolarHBondContact O-N 2.94Å; T445-T447 VanDerWaalsContact O-N 3.15Å; T445-T447 PolarHBondContact OG1-OG1 3.31Å; T447-S450 PolarHBondContact O-OG 3.05Å; T447-C451 PolarHBondContact O-SG 3.35Å; T447-C451 VanDerWaalsContact O-SG 3.37Å
448	F	85.8	Confident	79.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-69.9	-48.2	173.3	-178.7	-95	0	0	0	110.9	L384 L392 F399 W401 V439 E444 T445 S450 C451 F452 W455	L384-F448 HydrophobicContact CD1-CE1 3.84Å; L384-F448 HydrophobicContact CD1-CZ 3.92Å; L384-F448 HydrophobicContact CD2-CZ 4.38Å; L392-F448 HydrophobicContact CB-CE2 4.47Å; L392-F448 HydrophobicContact CD2-CD2 4.02Å; L392-F448 HydrophobicContact CD2-CE2 3.68Å; L392-F448 HydrophobicContact CD2-CZ 4.32Å; F399-F448 HydrophobicContact CB-CD2 3.6Å; F399-F448 HydrophobicContact CB-CE2 3.71Å; F399-F448 HydrophobicContact CD1-CB 4.21Å; F399-F448 AromaticContact CD1-CD2 3.69Å; F399-F448 HydrophobicContact CD1-CD2 3.69Å; F399-F448 HydrophobicContact CD1-CG 4.45Å; F399-F448 HydrophobicContact CD2-CD2 4.05Å; F399-F448 HydrophobicContact CE1-CB 4.06Å; F399-F448 HydrophobicContact CE1-CD2 4.32Å; F399-F448 AromaticContact CG-CD2 3.52Å; F399-F448 HydrophobicContact CG-CD2 3.52Å; F399-F448 HydrophobicContact CG-CE2 4.14Å; F399-F448 HydrophobicContact CZ-CB 4.45Å; W401-F448 HydrophobicContact CB-CE2 4.01Å; W401-F448 HydrophobicContact CB-CZ 3.8Å; W401-F448 AromaticContact CD1-CE1 3.5Å; W401-F448 VanDerWaalsContact CD1-CE1 3.5Å; W401-F448 AromaticContact CD1-CZ 3.28Å; W401-F448 HydrophobicContact CG-CE1 4.34Å; W401-F448 HydrophobicContact CG-CE2 4.36Å; W401-F448 AromaticContact CG-CZ 3.72Å; W401-F448 HydrophobicContact CG-CZ 3.72Å; V439-F448 HydrophobicContact CB-CD2 4.39Å; V439-F448 HydrophobicContact CG1-CD1 4.37Å; V439-F448 HydrophobicContact CG1-CD2 4.45Å; V439-F448 HydrophobicContact CG1-CG 4.23Å; V439-F448 HydrophobicContact CG2-CB 4.29Å; V439-F448 HydrophobicContact CG2-CD2 3.89Å; V439-F448 HydrophobicContact CG2-CG 4.19Å; E444-F448 HydrophobicContact CB-CD1 3.81Å; E444-F448 HydrophobicContact CB-CE1 4.47Å; E444-F448 HydrophobicContact CG-CD1 3.77Å; E444-F448 HydrophobicContact CG-CE1 3.94Å; T445-F448 WeakPolarHBondContact O-CB 3.5Å; T445-F448 PolarHBondContact O-N 3.3Å; T445-F448 PolarHBondContact OG1-N 3.5Å; F448-S450 PolarHBondContact O-N 3.41Å; F448-C451 VanDerWaalsContact O-CB 3.29Å; F448-C451 WeakPolarHBondContact O-CB 3.19Å; F448-C451 PolarHBondContact O-N 2.99Å; F448-C451 VanDerWaalsContact O-N 3.09Å; F448-C451 PolarHBondContact O-SG 2.74Å; F448-F452 AromaticContact CD1-CE2 3.8Å; F448-F452 HydrophobicContact CD1-CE2 3.8Å; F448-F452 HydrophobicContact CE1-CD2 4.46Å; F448-F452 AromaticContact CE1-CE2 3.42Å; F448-F452 HydrophobicContact CE1-CE2 3.42Å; F448-F452 VanDerWaalsContact CE1-CE2 3.42Å; F448-F452 AromaticContact CE1-CZ 3.74Å; F448-F452 HydrophobicContact CE1-CZ 3.74Å; F448-F452 HydrophobicContact CE2-CE2 4.29Å; F448-F452 HydrophobicContact CE2-CZ 4.46Å; F448-F452 HydrophobicContact CG-CE2 4.4Å; F448-F452 AromaticContact CZ-CE2 3.7Å; F448-F452 HydrophobicContact CZ-CE2 3.7Å; F448-F452 AromaticContact CZ-CZ 3.69Å; F448-F452 HydrophobicContact CZ-CZ 3.69Å; F448-F452 WeakPolarHBondContact O-CD2 3.31Å; F448-F452 WeakPolarHBondContact O-CE2 3.47Å; F448-W455 AromaticContact CD1-CH2 3.89Å; F448-W455 HydrophobicContact CD1-CH2 3.89Å; F448-W455 AromaticContact CD1-CZ3 3.9Å; F448-W455 HydrophobicContact CD1-CZ3 3.9Å; F448-W455 AromaticContact CE1-CH2 3.49Å; F448-W455 HydrophobicContact CE1-CH2 3.49Å; F448-W455 VanDerWaalsContact CE1-CH2 3.49Å; F448-W455 AromaticContact CE1-CZ3 3.54Å; F448-W455 HydrophobicContact CE1-CZ3 3.54Å
449	T	84.9	Confident	78.3	Confident	24 Å²	24	59.4 Å²	59.4	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-26.4	-175.3	61.7	0	0	0	0	113.3	E444 T445 P446 C451 F452 W455	E444-T449 HydrophobicContact CB-CG2 3.74Å; T445-T449 WeakPolarHBondContact O-CG2 3.42Å; T445-T449 PolarHBondContact O-N 3.05Å; T445-T449 PolarHBondContact O-OG1 2.98Å; P446-T449 WeakPolarHBondContact CA-OG1 3.24Å; P446-T449 PolarHBondContact O-N 3.25Å; P446-T449 PolarHBondContact O-OG1 3.17Å; T449-C451 PolarHBondContact O-N 3.05Å; T449-F452 PolarHBondContact O-N 2.8Å; T449-W455 HydrophobicContact CG2-CD2 3.37Å; T449-W455 HydrophobicContact CG2-CE3 3.94Å; T449-W455 HydrophobicContact CG2-CG 3.62Å; T449-W455 HydrophobicContact CG2-CZ2 3.99Å; T449-W455 HydrophobicContact CG2-CZ3 4.47Å
450	S	81.7	Confident	77.1	Confident	92 Å²	92	60.8 Å²	60.8	64%	0.643	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.1	175.8	53.4	0	0	0	0	114.1	P446 T447 F448 F452	P446-S450 PolarHBondContact O-N 2.72Å; P446-S450 PolarHBondContact O-OG 3Å; T447-S450 PolarHBondContact O-OG 3.05Å; F448-S450 PolarHBondContact O-N 3.41Å; S450-F452 PolarHBondContact O-N 3.3Å
451	C	73.9	Confident	75.5	Confident	30 Å²	30	64.2 Å²	64.2	20%	0.203	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.7	175	-55.6	0	0	0	0	113	L392 T394 T447 F448 T449	L392-C451 HydrophobicContact CD2-CB 3.75Å; T394-C451 HydrophobicContact CG2-CB 4.49Å; T394-C451 WeakPolarHBondContact CG2-SG 3.47Å; T447-C451 PolarHBondContact O-SG 3.35Å; T447-C451 VanDerWaalsContact O-SG 3.37Å; F448-C451 VanDerWaalsContact O-CB 3.29Å; F448-C451 WeakPolarHBondContact O-CB 3.19Å; F448-C451 PolarHBondContact O-N 2.99Å; F448-C451 VanDerWaalsContact O-N 3.09Å; F448-C451 PolarHBondContact O-SG 2.74Å; T449-C451 PolarHBondContact O-N 3.05Å
452	F	74.2	Confident	73.9	Confident	12 Å²	12	64.4 Å²	64.4	5%	0.053	36%	0.361	C	S	.	.	S	Bend	trans	-111.1	135.2	-176.5	-59.3	-96.4	0	0	0	109.5	V379 L384 L392 F448 T449 S450 Y454 W455	V379-F452 HydrophobicContact CB-CE1 4.24Å; V379-F452 HydrophobicContact CG1-CD1 4.34Å; V379-F452 HydrophobicContact CG1-CE1 3.64Å; V379-F452 HydrophobicContact CG1-CZ 4.41Å; L384-F452 HydrophobicContact CD1-CE1 4.07Å; L384-F452 HydrophobicContact CD1-CZ 3.82Å; L384-F452 HydrophobicContact CD2-CZ 4.34Å; L384-F452 HydrophobicContact CG-CE1 4.23Å; L384-F452 HydrophobicContact CG-CZ 4.28Å; L392-F452 HydrophobicContact CD2-CE2 4.04Å; L392-F452 HydrophobicContact CD2-CZ 4.13Å; F448-F452 AromaticContact CD1-CE2 3.8Å; F448-F452 HydrophobicContact CD1-CE2 3.8Å; F448-F452 HydrophobicContact CE1-CD2 4.46Å; F448-F452 AromaticContact CE1-CE2 3.42Å; F448-F452 HydrophobicContact CE1-CE2 3.42Å; F448-F452 VanDerWaalsContact CE1-CE2 3.42Å; F448-F452 AromaticContact CE1-CZ 3.74Å; F448-F452 HydrophobicContact CE1-CZ 3.74Å; F448-F452 HydrophobicContact CE2-CE2 4.29Å; F448-F452 HydrophobicContact CE2-CZ 4.46Å; F448-F452 HydrophobicContact CG-CE2 4.4Å; F448-F452 AromaticContact CZ-CE2 3.7Å; F448-F452 HydrophobicContact CZ-CE2 3.7Å; F448-F452 AromaticContact CZ-CZ 3.69Å; F448-F452 HydrophobicContact CZ-CZ 3.69Å; F448-F452 WeakPolarHBondContact O-CD2 3.31Å; F448-F452 WeakPolarHBondContact O-CE2 3.47Å; T449-F452 PolarHBondContact O-N 2.8Å; S450-F452 PolarHBondContact O-N 3.3Å; F452-Y454 PolarHBondContact O-N 3.4Å; F452-Y454 VanDerWaalsContact O-N 3.1Å; F452-W455 HydrophobicContact CB-CE3 4.07Å; F452-W455 HydrophobicContact CD1-CE3 4.42Å; F452-W455 HydrophobicContact CD1-CZ3 4.28Å; F452-W455 AromaticContact CD2-CE3 3.45Å; F452-W455 HydrophobicContact CD2-CE3 3.45Å; F452-W455 VanDerWaalsContact CD2-CE3 3.45Å; F452-W455 AromaticContact CD2-CZ3 3.48Å; F452-W455 HydrophobicContact CD2-CZ3 3.48Å; F452-W455 VanDerWaalsContact CD2-CZ3 3.48Å; F452-W455 HydrophobicContact CE1-CZ3 4.25Å; F452-W455 AromaticContact CE2-CE3 3.99Å; F452-W455 HydrophobicContact CE2-CE3 3.99Å; F452-W455 AromaticContact CE2-CZ3 3.5Å; F452-W455 HydrophobicContact CE2-CZ3 3.5Å; F452-W455 AromaticContact CG-CE3 3.72Å; F452-W455 HydrophobicContact CG-CE3 3.72Å; F452-W455 AromaticContact CG-CZ3 3.91Å; F452-W455 HydrophobicContact CG-CZ3 3.91Å; F452-W455 AromaticContact CZ-CZ3 3.9Å; F452-W455 HydrophobicContact CZ-CZ3 3.9Å
453	P	66.5	Low	72.4	Confident	122 Å²	122	65.8 Å²	65.8	79%	0.792	36%	0.359	S	S	*	.	S	Bend	trans	-57.9	-27.2	178	-24.1	32.1	0	0	0	113.6
454	Y	67.6	Low	70.7	Confident	154 Å²	154	60.5 Å²	60.5	60%	0.604	33%	0.332	S	S	*	.			trans	-148	126.9	176.7	179.4	-101.7	0	0	0	109.9	F452 D456	F452-Y454 PolarHBondContact O-N 3.4Å; F452-Y454 VanDerWaalsContact O-N 3.1Å; Y454-D456 HydrophobicContact CE1-CB 3.81Å
455	W	73	Confident	69.2	Low	39 Å²	39	62.6 Å²	62.6	15%	0.148	35%	0.346	C	S	.	.			trans	-119.6	119.5	176.9	-170	-84.9	0	0	0	110.9	L381 L384 E444 F448 T449 F452	L381-W455 HydrophobicContact CD1-CD2 4.01Å; L381-W455 HydrophobicContact CD1-CE3 3.64Å; L381-W455 HydrophobicContact CD1-CH2 3.4Å; L381-W455 VanDerWaalsContact CD1-CH2 3.4Å; L381-W455 HydrophobicContact CD1-CZ2 3.82Å; L381-W455 HydrophobicContact CD1-CZ3 3.33Å; L384-W455 HydrophobicContact CD1-CH2 3.71Å; L384-W455 HydrophobicContact CD1-CZ3 3.86Å; E444-W455 HydrophobicContact CB-CH2 4.16Å; E444-W455 HydrophobicContact CB-CZ2 3.69Å; E444-W455 VanDerWaalsContact CD-CZ2 3.41Å; E444-W455 HydrophobicContact CG-CH2 3.62Å; E444-W455 HydrophobicContact CG-CZ2 3.4Å; E444-W455 VanDerWaalsContact CG-CZ2 3.4Å; F448-W455 AromaticContact CD1-CH2 3.89Å; F448-W455 HydrophobicContact CD1-CH2 3.89Å; F448-W455 AromaticContact CD1-CZ3 3.9Å; F448-W455 HydrophobicContact CD1-CZ3 3.9Å; F448-W455 AromaticContact CE1-CH2 3.49Å; F448-W455 HydrophobicContact CE1-CH2 3.49Å; F448-W455 VanDerWaalsContact CE1-CH2 3.49Å; F448-W455 AromaticContact CE1-CZ3 3.54Å; F448-W455 HydrophobicContact CE1-CZ3 3.54Å; T449-W455 HydrophobicContact CG2-CD2 3.37Å; T449-W455 HydrophobicContact CG2-CE3 3.94Å; T449-W455 HydrophobicContact CG2-CG 3.62Å; T449-W455 HydrophobicContact CG2-CZ2 3.99Å; T449-W455 HydrophobicContact CG2-CZ3 4.47Å; F452-W455 HydrophobicContact CB-CE3 4.07Å; F452-W455 HydrophobicContact CD1-CE3 4.42Å; F452-W455 HydrophobicContact CD1-CZ3 4.28Å; F452-W455 AromaticContact CD2-CE3 3.45Å; F452-W455 HydrophobicContact CD2-CE3 3.45Å; F452-W455 VanDerWaalsContact CD2-CE3 3.45Å; F452-W455 AromaticContact CD2-CZ3 3.48Å; F452-W455 HydrophobicContact CD2-CZ3 3.48Å; F452-W455 VanDerWaalsContact CD2-CZ3 3.48Å; F452-W455 HydrophobicContact CE1-CZ3 4.25Å; F452-W455 AromaticContact CE2-CE3 3.99Å; F452-W455 HydrophobicContact CE2-CE3 3.99Å; F452-W455 AromaticContact CE2-CZ3 3.5Å; F452-W455 HydrophobicContact CE2-CZ3 3.5Å; F452-W455 AromaticContact CG-CE3 3.72Å; F452-W455 HydrophobicContact CG-CE3 3.72Å; F452-W455 AromaticContact CG-CZ3 3.91Å; F452-W455 HydrophobicContact CG-CZ3 3.91Å; F452-W455 AromaticContact CZ-CZ3 3.9Å; F452-W455 HydrophobicContact CZ-CZ3 3.9Å
456	D	71.4	Confident	67.8	Low	18 Å²	18	62.1 Å²	62.1	10%	0.096	34%	0.342	C	S	.	.			trans	-108.4	103.9	175.3	-169.6	-13	0	0	0	110	K126 Y127 L381 Y454 A458 K459	K126-D456 IonicContact NZ-OD2 3.25Å; Y127-D456 WeakPolarHBondContact OH-CB 3.47Å; Y127-D456 PolarHBondContact OH-OD2 3.4Å; L381-D456 HydrophobicContact CD2-CB 4.17Å; Y454-D456 HydrophobicContact CE1-CB 3.81Å; D456-A458 PolarHBondContact O-N 2.67Å; D456-A458 VanDerWaalsContact O-N 3.17Å; D456-A458 WeakPolarHBondContact OD1-CA 3.48Å; D456-A458 VanDerWaalsContact OD1-CB 3.24Å; D456-A458 WeakPolarHBondContact OD1-CB 3.44Å; D456-A458 PolarHBondContact OD1-N 3.09Å; D456-K459 WeakPolarHBondContact O-CB 3.09Å; D456-K459 PolarHBondContact O-N 2.67Å
457	K	69	Low	66.8	Low	143 Å²	143	65 Å²	65	62%	0.622	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-61.5	-21.9	177.1	-67.9	-169.3	177.3	-174.3	0	112.8	K459	K457-K459 PolarHBondContact O-N 3.42Å
458	A	66.3	Low	65.6	Low	38 Å²	38	63.3 Å²	63.3	31%	0.314	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-77.4	-9.7	177.1	0	0	0	0	0	112.6	S123 D456 W460 Q461	S123-A458 VanDerWaalsContact CB-O 3.32Å; S123-A458 WeakPolarHBondContact CB-O 3.5Å; S123-A458 PolarHBondContact OG-O 3.45Å; D456-A458 PolarHBondContact O-N 2.67Å; D456-A458 VanDerWaalsContact O-N 3.17Å; D456-A458 WeakPolarHBondContact OD1-CA 3.48Å; D456-A458 VanDerWaalsContact OD1-CB 3.24Å; D456-A458 WeakPolarHBondContact OD1-CB 3.44Å; D456-A458 PolarHBondContact OD1-N 3.09Å; A458-W460 PolarHBondContact O-N 3.49Å; A458-W460 VanDerWaalsContact O-N 3.09Å; A458-Q461 PolarHBondContact O-N 3.24Å; A458-Q461 VanDerWaalsContact O-N 3.16Å
459	K	63.8	Low	64.4	Low	22 Å²	22	63.6 Å²	63.6	10%	0.096	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-51.4	-35.2	177.6	-178.8	178.4	175.8	-151.8	0	112.7	S123 Y127 L381 L384 D456 K457	S123-K459 WeakPolarHBondContact OG-CA 3.29Å; S123-K459 PolarHBondContact OG-O 3.05Å; Y127-K459 HydrophobicContact CE2-CB 4.21Å; Y127-K459 HydrophobicContact CE2-CG 3.96Å; L381-K459 HydrophobicContact CD1-CD 3.92Å; L381-K459 HydrophobicContact CD2-CB 4.13Å; L381-K459 HydrophobicContact CD2-CD 3.55Å; L381-K459 HydrophobicContact CD2-CG 4.41Å; L381-K459 HydrophobicContact CG-CD 3.45Å; L381-K459 VanDerWaalsContact CG-CD 3.45Å; L381-K459 PolarHBondContact O-NZ 3.43Å; L384-K459 PolarHBondContact O-NZ 3.44Å; D456-K459 WeakPolarHBondContact O-CB 3.09Å; D456-K459 PolarHBondContact O-N 2.67Å; K457-K459 PolarHBondContact O-N 3.42Å
460	W	64.3	Low	63.5	Low	32 Å²	32	65.6 Å²	65.6	12%	0.121	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-102.8	-7.7	-174.9	-48.8	132.5	0	0	0	114.2	L384 E386 W401 Q441 E444 A458 S462	L384-W460 HydrophobicContact CB-CZ2 4.36Å; E386-W460 HydrophobicContact CG-CE3 3.96Å; E386-W460 HydrophobicContact CG-CH2 3.88Å; E386-W460 HydrophobicContact CG-CZ3 3.3Å; E386-W460 WeakPolarHBondContact OE1-CZ3 3.25Å; W401-W460 HydrophobicContact CH2-CH2 4.14Å; W401-W460 HydrophobicContact CH2-CZ2 4.07Å; W401-W460 HydrophobicContact CZ2-CH2 4.14Å; W401-W460 AromaticContact CZ2-CZ2 3.59Å; W401-W460 HydrophobicContact CZ2-CZ2 3.59Å; Q441-W460 HydrophobicContact CG-CD2 3.97Å; Q441-W460 HydrophobicContact CG-CE3 4.49Å; Q441-W460 HydrophobicContact CG-CG 4.05Å; Q441-W460 HydrophobicContact CG-CZ2 4.42Å; Q441-W460 VanDerWaalsContact NE2-CE3 3.35Å; E444-W460 PolarHBondContact OE1-NE1 3.02Å; A458-W460 PolarHBondContact O-N 3.49Å; A458-W460 VanDerWaalsContact O-N 3.09Å; W460-S462 VanDerWaalsContact C-N 3.3Å; W460-S462 PolarHBondContact O-N 3.14Å
461	Q	53	Low	62.7	Low	158 Å²	158	64 Å²	64	74%	0.738	34%	0.335	S	S	*	.	S	Bend	trans	-85.7	-0.2	-168.2	-70.4	-176.2	-7.2	0	0	114.1	A458	A458-Q461 PolarHBondContact O-N 3.24Å; A458-Q461 VanDerWaalsContact O-N 3.16Å
462	S	49.4	Very low	62.3	Low	31 Å²	31	63.6 Å²	63.6	22%	0.217	33%	0.33	C	S	.	.			trans	-137.4	101.6	-175.7	50.6	0	0	0	0	109.4	P122 S123 W460	P122-S462 WeakPolarHBondContact CA-OG 3.39Å; P122-S462 WeakPolarHBondContact CB-O 3.33Å; P122-S462 WeakPolarHBondContact CG-O 3.28Å; S123-S462 PolarHBondContact N-OG 2.7Å; S123-S462 PolarHBondContact OG-OG 3.01Å; S123-S462 VanDerWaalsContact OG-OG 3.06Å; W460-S462 VanDerWaalsContact C-N 3.3Å; W460-S462 PolarHBondContact O-N 3.14Å
463	V	49.3	Very low	62	Low	77 Å²	77	63.6 Å²	63.6	47%	0.467	33%	0.33	S	S	.	.			trans	-94.2	131.2	165.6	178.9	0	0	0	0	105.5	T465	V463-T465 PolarHBondContact O-N 3.35Å
464	V	50.3	Low	62.1	Low	23 Å²	23	64.1 Å²	64.1	14%	0.139	32%	0.32	C	S	.	.			trans	-65.3	113.6	176.6	-159.4	0	0	0	0	104.3	P122 F124 L125 D468 I469	P122-V464 HydrophobicContact CB-CG2 4.02Å; P122-V464 HydrophobicContact CG-CB 3.82Å; P122-V464 HydrophobicContact CG-CG1 4.43Å; P122-V464 HydrophobicContact CG-CG2 3.31Å; F124-V464 HydrophobicContact CE1-CG2 3.79Å; F124-V464 HydrophobicContact CZ-CG2 3.56Å; L125-V464 HydrophobicContact CD1-CG2 3.93Å; V464-D468 HydrophobicContact CG1-CB 3.99Å; V464-I469 HydrophobicContact CB-CD1 4.04Å; V464-I469 HydrophobicContact CB-CG1 4.44Å; V464-I469 HydrophobicContact CG1-CD1 3.51Å; V464-I469 HydrophobicContact CG1-CG1 3.41Å; V464-I469 VanDerWaalsContact CG1-CG1 3.41Å
465	T	54.4	Low	62.1	Low	65 Å²	65	59 Å²	59	40%	0.399	31%	0.311	S	S	.	.			trans	-77	157.3	174.8	70.9	0	0	0	0	109	V463 K467 D468 I469	V463-T465 PolarHBondContact O-N 3.35Å; T465-K467 PolarHBondContact O-N 2.91Å; T465-K467 VanDerWaalsContact O-N 3.13Å; T465-D468 VanDerWaalsContact CB-OD2 3.3Å; T465-D468 WeakPolarHBondContact CB-OD2 3.43Å; T465-D468 WeakPolarHBondContact CG2-OD2 3.1Å; T465-D468 PolarHBondContact N-OD2 2.95Å; T465-D468 PolarHBondContact O-N 3.41Å; T465-D468 PolarHBondContact OG1-N 2.89Å; T465-D468 PolarHBondContact OG1-OD2 2.89Å; T465-I469 PolarHBondContact O-N 3.14Å
466	D	57.3	Low	61.8	Low	42 Å²	42	58.2 Å²	58.2	23%	0.225	31%	0.308	C	S	.	.	H	α-helix	trans	-50.3	-41.4	173.9	-74.1	-13.6	0	0	0	110.4	R199 R202 D468 I469 D470	R199-D466 IonicContact CZ-OD2 3.3Å; R199-D466 IonicContact NE-OD2 2.84Å; R199-D466 PolarHBondContact NE-OD2 3.37Å; R199-D466 IonicContact NH2-OD2 3.16Å; R199-D466 PolarHBondContact NH2-OD2 3.04Å; R202-D466 WeakPolarHBondContact CD-OD1 3.07Å; R202-D466 VanDerWaalsContact CZ-CG 3.47Å; R202-D466 IonicContact CZ-OD1 2.78Å; R202-D466 VanDerWaalsContact CZ-OD1 3.25Å; R202-D466 IonicContact NE-OD1 3.52Å; R202-D466 PolarHBondContact NE-OD1 3.01Å; R202-D466 VanDerWaalsContact NE-OD1 3.09Å; R202-D466 VanDerWaalsContact NH1-C 3.29Å; R202-D466 PolarHBondContact NH1-O 2.89Å; R202-D466 IonicContact NH1-OD1 3.42Å; R202-D466 PolarHBondContact NH1-OD1 2.63Å; R202-D466 IonicContact NH2-OD1 3.67Å; D466-D468 PolarHBondContact O-N 3.01Å; D466-I469 PolarHBondContact O-N 2.91Å; D466-D470 PolarHBondContact O-N 3.17Å; D466-D470 VanDerWaalsContact O-OD1 3.05Å
467	K	63.1	Low	61.9	Low	167 Å²	167	59 Å²	59	73%	0.726	31%	0.313	S	S	*	.	H	α-helix	trans	-64.9	-35.4	178.9	-63.7	-176.5	179.2	-178.6	0	114.3	T465 I469 A471	T465-K467 PolarHBondContact O-N 2.91Å; T465-K467 VanDerWaalsContact O-N 3.13Å; K467-I469 VanDerWaalsContact C-N 3.33Å; K467-A471 VanDerWaalsContact O-CB 3.23Å; K467-A471 WeakPolarHBondContact O-CB 3.11Å; K467-A471 PolarHBondContact O-N 3.11Å
468	D	59	Low	62.1	Low	41 Å²	41	55.1 Å²	55.1	22%	0.219	30%	0.297	C	S	.	.	H	α-helix	trans	-67.5	-38.9	179	-62.3	-55.6	0	0	0	110.6	V464 T465 D466 F472	V464-D468 HydrophobicContact CG1-CB 3.99Å; T465-D468 VanDerWaalsContact CB-OD2 3.3Å; T465-D468 WeakPolarHBondContact CB-OD2 3.43Å; T465-D468 WeakPolarHBondContact CG2-OD2 3.1Å; T465-D468 PolarHBondContact N-OD2 2.95Å; T465-D468 PolarHBondContact O-N 3.41Å; T465-D468 PolarHBondContact OG1-N 2.89Å; T465-D468 PolarHBondContact OG1-OD2 2.89Å; D466-D468 PolarHBondContact O-N 3.01Å; D468-F472 WeakPolarHBondContact O-CB 3.38Å; D468-F472 PolarHBondContact O-N 2.81Å
469	I	60.4	Low	62.3	Low	5 Å²	5	56.5 Å²	56.5	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-48.4	174.4	-76.2	158	0	0	0	110.6	R202 V206 V464 T465 D466 K467 A471 F472 I473	R202-I469 HydrophobicContact CB-CD1 3.44Å; R202-I469 VanDerWaalsContact CB-CD1 3.44Å; R202-I469 HydrophobicContact CG-CD1 3.76Å; V206-I469 HydrophobicContact CG2-CG1 4.36Å; V464-I469 HydrophobicContact CB-CD1 4.04Å; V464-I469 HydrophobicContact CB-CG1 4.44Å; V464-I469 HydrophobicContact CG1-CD1 3.51Å; V464-I469 HydrophobicContact CG1-CG1 3.41Å; V464-I469 VanDerWaalsContact CG1-CG1 3.41Å; T465-I469 PolarHBondContact O-N 3.14Å; D466-I469 PolarHBondContact O-N 2.91Å; K467-I469 VanDerWaalsContact C-N 3.33Å; I469-A471 PolarHBondContact O-N 3.34Å; I469-F472 CarbonylContact O-C 3.54Å; I469-F472 WeakPolarHBondContact O-CA 3.37Å; I469-F472 WeakPolarHBondContact O-CB 3.19Å; I469-F472 PolarHBondContact O-N 2.92Å; I469-I473 HydrophobicContact CG2-CD1 3.55Å; I469-I473 HydrophobicContact CG2-CG1 4.02Å; I469-I473 WeakPolarHBondContact O-CB 3.42Å; I469-I473 VanDerWaalsContact O-CG1 3.29Å; I469-I473 WeakPolarHBondContact O-CG1 3.44Å; I469-I473 PolarHBondContact O-N 2.83Å
470	D	66.5	Low	62.7	Low	66 Å²	66	55.9 Å²	55.9	35%	0.353	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-39.9	-179.7	-58	-12.1	0	0	0	110.4	R202 D466 F474	R202-D470 IonicContact CZ-OD1 3.47Å; R202-D470 IonicContact NH1-OD1 3.92Å; R202-D470 PolarHBondContact NH1-OD1 3.1Å; R202-D470 IonicContact NH1-OD2 2.75Å; R202-D470 IonicContact NH2-OD1 2.76Å; D466-D470 PolarHBondContact O-N 3.17Å; D466-D470 VanDerWaalsContact O-OD1 3.05Å; D470-F474 VanDerWaalsContact O-CB 3.25Å; D470-F474 WeakPolarHBondContact O-CB 3.37Å; D470-F474 PolarHBondContact O-N 3.03Å
471	A	65.2	Low	63.1	Low	58 Å²	58	60.3 Å²	60.3	48%	0.479	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-39.6	174.6	0	0	0	0	0	112.7	K467 I469 A475	K467-A471 VanDerWaalsContact O-CB 3.23Å; K467-A471 WeakPolarHBondContact O-CB 3.11Å; K467-A471 PolarHBondContact O-N 3.11Å; I469-A471 PolarHBondContact O-N 3.34Å; A471-A475 WeakPolarHBondContact O-CB 3.29Å; A471-A475 PolarHBondContact O-N 3.37Å
472	F	64.4	Low	64.1	Low	23 Å²	23	60.6 Å²	60.6	10%	0.101	31%	0.311	C	S	.	.	H	α-helix	trans	-67.3	-47.2	176.1	178.9	-118.5	0	0	0	112.3	I118 I209 D468 I469 F474 A475 E476	I118-F472 HydrophobicContact CD1-CB 4.35Å; I118-F472 HydrophobicContact CD1-CD2 3.18Å; I118-F472 HydrophobicContact CD1-CE2 3.47Å; I118-F472 VanDerWaalsContact CD1-CE2 3.47Å; I118-F472 HydrophobicContact CD1-CG 3.83Å; I118-F472 HydrophobicContact CD1-CZ 4.3Å; I118-F472 HydrophobicContact CG1-CD2 4.02Å; I118-F472 HydrophobicContact CG1-CE2 4.42Å; I209-F472 HydrophobicContact CB-CE1 4.29Å; I209-F472 HydrophobicContact CD1-CD1 3.88Å; I209-F472 HydrophobicContact CD1-CE1 3.53Å; I209-F472 HydrophobicContact CG1-CE1 4.46Å; I209-F472 HydrophobicContact CG2-CE1 3.78Å; I209-F472 HydrophobicContact CG2-CZ 3.96Å; D468-F472 WeakPolarHBondContact O-CB 3.38Å; D468-F472 PolarHBondContact O-N 2.81Å; I469-F472 CarbonylContact O-C 3.54Å; I469-F472 WeakPolarHBondContact O-CA 3.37Å; I469-F472 WeakPolarHBondContact O-CB 3.19Å; I469-F472 PolarHBondContact O-N 2.92Å; F472-F474 VanDerWaalsContact C-N 3.28Å; F472-F474 PolarHBondContact O-N 2.92Å; F472-A475 PolarHBondContact O-N 2.88Å; F472-A475 VanDerWaalsContact O-N 3.17Å; F472-E476 PolarHBondContact O-N 3.2Å
473	I	67.5	Low	65	Low	11 Å²	11	63.1 Å²	63.1	6%	0.056	32%	0.322	C	S	.	.	H	α-helix	trans	-56.1	-46.6	174.4	-67.7	177.7	0	0	0	109.8	V205 I228 I469 E476 N477	V205-I473 HydrophobicContact CG1-CD1 4.24Å; I228-I473 HydrophobicContact CB-CG2 4.11Å; I228-I473 HydrophobicContact CD1-CG1 4.36Å; I228-I473 HydrophobicContact CG2-CB 4.44Å; I228-I473 HydrophobicContact CG2-CD1 4.24Å; I228-I473 HydrophobicContact CG2-CG1 4Å; I228-I473 HydrophobicContact CG2-CG2 3.81Å; I469-I473 HydrophobicContact CG2-CD1 3.55Å; I469-I473 HydrophobicContact CG2-CG1 4.02Å; I469-I473 WeakPolarHBondContact O-CB 3.42Å; I469-I473 VanDerWaalsContact O-CG1 3.29Å; I469-I473 WeakPolarHBondContact O-CG1 3.44Å; I469-I473 PolarHBondContact O-N 2.83Å; I473-E476 PolarHBondContact O-N 3.44Å; I473-N477 WeakPolarHBondContact O-CB 3.16Å; I473-N477 PolarHBondContact O-N 3.13Å; I473-N477 PolarHBondContact O-ND2 3.25Å
474	F	69.2	Low	66	Low	133 Å²	133	63.1 Å²	63.1	58%	0.583	32%	0.317	S	S	*	.	H	α-helix	trans	-59.5	-48.1	176.7	-179.3	-94.6	0	0	0	111.7	D470 F472 E476 N477 Q478	D470-F474 VanDerWaalsContact O-CB 3.25Å; D470-F474 WeakPolarHBondContact O-CB 3.37Å; D470-F474 PolarHBondContact O-N 3.03Å; F472-F474 VanDerWaalsContact C-N 3.28Å; F472-F474 PolarHBondContact O-N 2.92Å; F474-E476 PolarHBondContact O-N 3.29Å; F474-N477 PolarHBondContact O-N 2.88Å; F474-Q478 HydrophobicContact CD1-CG 4.18Å; F474-Q478 HydrophobicContact CE1-CG 3.84Å; F474-Q478 HydrophobicContact CZ-CG 4.04Å; F474-Q478 VanDerWaalsContact CZ-NE2 3.29Å; F474-Q478 VanDerWaalsContact O-CG 3.27Å; F474-Q478 WeakPolarHBondContact O-CG 3.33Å; F474-Q478 PolarHBondContact O-N 3.08Å
475	A	68.2	Low	67	Low	48 Å²	48	67.5 Å²	67.5	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-44.5	-179.5	0	0	0	0	0	112.6	A471 F472 Q478 N479	A471-A475 WeakPolarHBondContact O-CB 3.29Å; A471-A475 PolarHBondContact O-N 3.37Å; F472-A475 PolarHBondContact O-N 2.88Å; F472-A475 VanDerWaalsContact O-N 3.17Å; A475-Q478 WeakPolarHBondContact O-CB 3.38Å; A475-Q478 PolarHBondContact O-N 2.85Å; A475-N479 PolarHBondContact O-N 2.78Å; A475-N479 VanDerWaalsContact O-N 3.13Å
476	E	65	Low	67.5	Low	21 Å²	21	66.8 Å²	66.8	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-66.3	-43.5	179.3	-160.4	76.9	175.9	0	0	111.1	R213 I228 F472 I473 F474 Q478 N479 V480	R213-E476 IonicContact NE-OE1 2.68Å; R213-E476 IonicContact NH2-OE1 2.79Å; R213-E476 PolarHBondContact NH2-OE1 3.24Å; R213-E476 IonicContact NH2-OE2 3.38Å; R213-E476 PolarHBondContact NH2-OE2 3.24Å; R213-E476 VanDerWaalsContact NH2-OE2 3.11Å; I228-E476 HydrophobicContact CD1-CB 3.66Å; I228-E476 HydrophobicContact CD1-CG 3.93Å; F472-E476 PolarHBondContact O-N 3.2Å; I473-E476 PolarHBondContact O-N 3.44Å; F474-E476 PolarHBondContact O-N 3.29Å; E476-Q478 PolarHBondContact O-N 2.76Å; E476-N479 WeakPolarHBondContact O-CB 3.48Å; E476-N479 PolarHBondContact O-N 2.76Å; E476-V480 PolarHBondContact O-N 3.39Å; E476-V480 VanDerWaalsContact O-N 3.1Å
477	N	74.3	Confident	67.8	Low	36 Å²	36	69.7 Å²	69.7	19%	0.193	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-27.8	175.9	-79	-22.8	0	0	0	112.7	I228 I473 F474 K481	I228-N477 PolarHBondContact N-OD1 2.96Å; I228-N477 PolarHBondContact O-ND2 3.16Å; I228-N477 PolarHBondContact O-OD1 2.81Å; I473-N477 WeakPolarHBondContact O-CB 3.16Å; I473-N477 PolarHBondContact O-N 3.13Å; I473-N477 PolarHBondContact O-ND2 3.25Å; F474-N477 PolarHBondContact O-N 2.88Å; N477-K481 WeakPolarHBondContact O-CG 3.27Å; N477-K481 PolarHBondContact O-N 2.88Å
478	Q	73.5	Confident	67.8	Low	61 Å²	61	68.3 Å²	68.3	29%	0.285	34%	0.342	S	S	.	.	H	α-helix	trans	-72.6	-35.2	171.4	-68.4	-66.6	-16.3	0	0	112.4	F474 A475 E476 K481 R482	F474-Q478 HydrophobicContact CD1-CG 4.18Å; F474-Q478 HydrophobicContact CE1-CG 3.84Å; F474-Q478 HydrophobicContact CZ-CG 4.04Å; F474-Q478 VanDerWaalsContact CZ-NE2 3.29Å; F474-Q478 VanDerWaalsContact O-CG 3.27Å; F474-Q478 WeakPolarHBondContact O-CG 3.33Å; F474-Q478 PolarHBondContact O-N 3.08Å; A475-Q478 WeakPolarHBondContact O-CB 3.38Å; A475-Q478 PolarHBondContact O-N 2.85Å; E476-Q478 PolarHBondContact O-N 2.76Å; Q478-K481 PolarHBondContact O-N 2.81Å; Q478-R482 WeakPolarHBondContact O-CG 3.33Å; Q478-R482 PolarHBondContact O-N 3.26Å; Q478-R482 VanDerWaalsContact O-N 3.1Å
479	N	71.1	Confident	67.8	Low	66 Å²	66	73 Å²	73	35%	0.353	36%	0.36	S	S	.	.	H	α-helix	trans	-64	-43.1	175.2	-67.6	-25.7	0	0	0	111.1	A475 E476 K481 R482 D483	A475-N479 PolarHBondContact O-N 2.78Å; A475-N479 VanDerWaalsContact O-N 3.13Å; E476-N479 WeakPolarHBondContact O-CB 3.48Å; E476-N479 PolarHBondContact O-N 2.76Å; N479-K481 VanDerWaalsContact C-N 3.34Å; N479-K481 PolarHBondContact O-N 3.08Å; N479-R482 WeakPolarHBondContact O-CB 3.46Å; N479-R482 PolarHBondContact O-N 2.72Å; N479-R482 VanDerWaalsContact O-N 3.12Å; N479-R482 PolarHBondContact OD1-NH1 3.42Å; N479-D483 PolarHBondContact O-N 2.92Å
480	V	70.7	Confident	67.4	Low	9 Å²	9	79.8 Å²	79.8	6%	0.055	39%	0.392	C	S	.	.	H	α-helix	trans	-56.3	-47.3	174.2	176.6	0	0	0	0	111.9	I226 H227 E476 R482 D483 Q484	I226-V480 WeakPolarHBondContact O-CG2 3.22Å; H227-V480 WeakPolarHBondContact CE1-CG1 3.33Å; E476-V480 PolarHBondContact O-N 3.39Å; E476-V480 VanDerWaalsContact O-N 3.1Å; V480-R482 VanDerWaalsContact C-N 3.28Å; V480-R482 PolarHBondContact O-N 2.87Å; V480-D483 PolarHBondContact O-N 3.13Å; V480-Q484 HydrophobicContact CG1-CG 4.26Å; V480-Q484 WeakPolarHBondContact O-CB 3.38Å; V480-Q484 VanDerWaalsContact O-CG 3.31Å; V480-Q484 WeakPolarHBondContact O-CG 3.09Å; V480-Q484 PolarHBondContact O-N 3.38Å
481	K	74.2	Confident	66.3	Low	126 Å²	126	79.8 Å²	79.8	55%	0.548	41%	0.408	S	S	.	.	H	α-helix	trans	-60.4	-38.7	178.4	-73	177.5	-179.5	180	0	112	N477 Q478 N479 F485	N477-K481 WeakPolarHBondContact O-CG 3.27Å; N477-K481 PolarHBondContact O-N 2.88Å; Q478-K481 PolarHBondContact O-N 2.81Å; N479-K481 VanDerWaalsContact C-N 3.34Å; N479-K481 PolarHBondContact O-N 3.08Å; K481-F485 VanDerWaalsContact O-CB 3.32Å; K481-F485 WeakPolarHBondContact O-CB 3.5Å; K481-F485 PolarHBondContact O-N 2.89Å
482	R	72.4	Confident	64.9	Low	163 Å²	163	80.8 Å²	80.8	62%	0.615	41%	0.411	S	S	*	.	H	α-helix	trans	-65.5	-45.8	176	-71.9	172.5	178.3	157.3	-2.6	111.5	Q478 N479 V480 F485 A486	Q478-R482 WeakPolarHBondContact O-CG 3.33Å; Q478-R482 PolarHBondContact O-N 3.26Å; Q478-R482 VanDerWaalsContact O-N 3.1Å; N479-R482 WeakPolarHBondContact O-CB 3.46Å; N479-R482 PolarHBondContact O-N 2.72Å; N479-R482 VanDerWaalsContact O-N 3.12Å; N479-R482 PolarHBondContact OD1-NH1 3.42Å; V480-R482 VanDerWaalsContact C-N 3.28Å; V480-R482 PolarHBondContact O-N 2.87Å; R482-F485 PolarHBondContact O-N 3.22Å; R482-A486 WeakPolarHBondContact O-CB 3.3Å; R482-A486 PolarHBondContact O-N 3.01Å
483	D	69	Low	63.2	Low	85 Å²	85	86.2 Å²	86.2	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-67.7	-38	-179.6	-68.3	-16.5	0	0	0	111.9	L225 N479 V480 A486 K487	L225-D483 HydrophobicContact CD2-CB 3.64Å; N479-D483 PolarHBondContact O-N 2.92Å; V480-D483 PolarHBondContact O-N 3.13Å; D483-A486 PolarHBondContact O-N 3.43Å; D483-K487 WeakPolarHBondContact O-CG 3.35Å; D483-K487 PolarHBondContact O-N 2.91Å
484	Q	71.2	Confident	61.4	Low	77 Å²	77	90.4 Å²	90.4	36%	0.36	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-48.8	172.1	-75	178.9	-28.8	0	0	111.5	L225 V480 A486 K487 E488	L225-Q484 HydrophobicContact CD1-CG 3.81Å; V480-Q484 HydrophobicContact CG1-CG 4.26Å; V480-Q484 WeakPolarHBondContact O-CB 3.38Å; V480-Q484 VanDerWaalsContact O-CG 3.31Å; V480-Q484 WeakPolarHBondContact O-CG 3.09Å; V480-Q484 PolarHBondContact O-N 3.38Å; Q484-A486 VanDerWaalsContact C-N 3.3Å; Q484-A486 PolarHBondContact O-N 3.09Å; Q484-K487 PolarHBondContact O-N 3.06Å; Q484-E488 WeakPolarHBondContact O-CG 3.02Å; Q484-E488 PolarHBondContact O-N 2.93Å
485	F	70.2	Confident	59.7	Low	115 Å²	115	89.6 Å²	89.6	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-35.1	178.6	-172.4	-104.6	0	0	0	112.7	K481 R482 K489	K481-F485 VanDerWaalsContact O-CB 3.32Å; K481-F485 WeakPolarHBondContact O-CB 3.5Å; K481-F485 PolarHBondContact O-N 2.89Å; R482-F485 PolarHBondContact O-N 3.22Å; F485-K489 HydrophobicContact CD1-CD 4.41Å; F485-K489 HydrophobicContact CE1-CD 3.89Å; F485-K489 HydrophobicContact CE1-CG 4.48Å; F485-K489 HydrophobicContact CZ-CD 4.32Å; F485-K489 VanDerWaalsContact CZ-CE 3.48Å; F485-K489 PolarHBondContact O-N 2.87Å; F485-K489 VanDerWaalsContact O-N 3.17Å
486	A	65.4	Low	57.8	Low	49 Å²	49	93.9 Å²	93.9	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-42.8	173.9	0	0	0	0	0	112	R482 D483 Q484 K489 Q490	R482-A486 WeakPolarHBondContact O-CB 3.3Å; R482-A486 PolarHBondContact O-N 3.01Å; D483-A486 PolarHBondContact O-N 3.43Å; Q484-A486 VanDerWaalsContact C-N 3.3Å; Q484-A486 PolarHBondContact O-N 3.09Å; A486-K489 PolarHBondContact O-N 2.94Å; A486-Q490 PolarHBondContact O-N 3.07Å
487	K	64	Low	56.2	Low	104 Å²	104	101.7 Å²	101.7	45%	0.452	55%	0.547	S	S	.	.	H	α-helix	trans	-63.7	-40	175.3	-73.5	-178.4	179.4	-178.8	0	112.3	D483 Q484 Q490	D483-K487 WeakPolarHBondContact O-CG 3.35Å; D483-K487 PolarHBondContact O-N 2.91Å; Q484-K487 PolarHBondContact O-N 3.06Å; K487-Q490 PolarHBondContact O-N 2.94Å
488	E	62.5	Low	54	Low	137 Å²	137	106.2 Å²	106.2	64%	0.64	58%	0.576	S	S	*	*	H	α-helix	trans	-64.4	-39.9	177.8	-73.3	174.7	179.1	0	0	112.4	Q484 Q490 G491	Q484-E488 WeakPolarHBondContact O-CG 3.02Å; Q484-E488 PolarHBondContact O-N 2.93Å; E488-Q490 VanDerWaalsContact C-N 3.32Å; E488-Q490 PolarHBondContact O-N 2.77Å; E488-G491 PolarHBondContact O-N 3.35Å
489	K	58.9	Low	51.9	Low	140 Å²	140	110.7 Å²	110.7	61%	0.609	60%	0.601	S	S	*	*	H	α-helix	trans	-68	-27.2	177.2	-83.4	-170.6	169.9	-175.6	0	114.2	F485 A486 G491	F485-K489 HydrophobicContact CD1-CD 4.41Å; F485-K489 HydrophobicContact CE1-CD 3.89Å; F485-K489 HydrophobicContact CE1-CG 4.48Å; F485-K489 HydrophobicContact CZ-CD 4.32Å; F485-K489 VanDerWaalsContact CZ-CE 3.48Å; F485-K489 PolarHBondContact O-N 2.87Å; F485-K489 VanDerWaalsContact O-N 3.17Å; A486-K489 PolarHBondContact O-N 2.94Å; K489-G491 VanDerWaalsContact C-N 3.31Å
490	Q	52.9	Low	49.9	Very low	148 Å²	148	112.6 Å²	112.6	69%	0.692	62%	0.62	S	S	*	*	H	α-helix	trans	-79.7	-11.3	176.1	-72.1	-178	-8	0	0	113.1	A486 K487 E488	A486-Q490 PolarHBondContact O-N 3.07Å; K487-Q490 PolarHBondContact O-N 2.94Å; E488-Q490 VanDerWaalsContact C-N 3.32Å; E488-Q490 PolarHBondContact O-N 2.77Å
491	G	43.7	Very low	48.2	Very low	66 Å²	66	121.7 Å²	121.7	68%	0.68	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-4.1	-176.5	0	0	0	0	0	116.8	E488 K489	E488-G491 PolarHBondContact O-N 3.35Å; K489-G491 VanDerWaalsContact C-N 3.31Å
492	S	33.9	Very low	46.2	Very low	79 Å²	79	123.4 Å²	123.4	55%	0.552	68%	0.677	S	S	*	*	S	Bend	trans	-104	121.6	-179.4	49.5	0	0	0	0	112.2	S494	S492-S494 PolarHBondContact O-N 3.09Å
493	P	29.8	Very low	44.4	Very low	136 Å²	136	119.6 Å²	119.6	88%	0.883	67%	0.668	S	S	*	*			trans	-84.7	110.1	-177.8	31.8	-29.5	0	0	0	110.8
494	S	30	Very low	42.7	Very low	100 Å²	100	118 Å²	118	70%	0.699	67%	0.672	S	S	*	*			trans	-148.6	115.7	163.9	61.5	0	0	0	0	112.2	S492	S492-S494 PolarHBondContact O-N 3.09Å
495	S	32.5	Very low	41.1	Very low	115 Å²	115	117.3 Å²	117.3	80%	0.804	69%	0.685	S	S	*	*			trans	42.8	115.1	150.7	50	0	0	0	0	119.3	E497	S495-E497 PolarHBondContact O-N 2.91Å
496	V	29.3	Very low	39.6	Very low	138 Å²	138	117.3 Å²	117.3	84%	0.836	69%	0.69	S	S	*	*			trans	-49.2	111.8	168.3	-177.2	0	0	0	0	111.8
497	E	29.8	Very low	38.2	Very low	185 Å²	185	121 Å²	121	86%	0.864	70%	0.699	S	S	*	*			trans	-132.3	116.3	149.8	-89.9	-173.2	166.7	0	0	108.9	S495 L499	S495-E497 PolarHBondContact O-N 2.91Å; E497-L499 PolarHBondContact O-N 2.85Å
498	T	29.5	Very low	37.4	Very low	131 Å²	131	117.6 Å²	117.6	80%	0.804	69%	0.687	S	S	*	*			trans	-59.1	114.7	176	-44.5	0	0	0	0	110.2
499	L	28.9	Very low	36.4	Very low	155 Å²	155	116.6 Å²	116.6	81%	0.812	68%	0.681	S	S	*	*			trans	-166.5	115.1	160.5	-98.6	149.7	0	0	0	110.9	E497	E497-L499 PolarHBondContact O-N 2.85Å
500	S	30	Very low	36.4	Very low	107 Å²	107	117.6 Å²	117.6	75%	0.748	68%	0.681	S	S	*	*			trans	50	106	161.6	56.4	0	0	0	0	119.4	D502	S500-D502 PolarHBondContact O-N 2.9Å
501	H	33.5	Very low	36.8	Very low	200 Å²	200	115.1 Å²	115.1	93%	0.926	67%	0.665	S	S	*	*			trans	-56.9	109.9	166.3	-85.3	-84	0	0	0	112.2
502	D	32.4	Very low	38.2	Very low	162 Å²	162	113 Å²	113	87%	0.866	64%	0.637	S	S	*	*			trans	-134	86.8	163.2	-163.1	22	0	0	0	107	S500	S500-D502 PolarHBondContact O-N 2.9Å
503	D	35.8	Very low	40	Very low	83 Å²	83	114.8 Å²	114.8	44%	0.444	64%	0.637	S	S	.	*			trans	-111.6	100.8	-178.2	-160.9	7.7	0	0	0	111.1
504	G	33.5	Very low	42	Very low	52 Å²	52	113 Å²	113	54%	0.536	63%	0.628	S	S	.	*				46	91.1	123	0	0	0	0	0	119.5	L506	G504-L506 VanDerWaalsContact C-N 3.3Å; G504-L506 PolarHBondContact O-N 2.92Å
505	G	36.6	Very low	44.3	Very low	61 Å²	61	109.6 Å²	109.6	63%	0.629	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn		66.6	-37.3	127.6	0	0	0	0	0	121.9	T508	G505-T508 PolarHBondContact O-OG1 3.1Å
506	L	38.1	Very low	46.8	Very low	115 Å²	115	106.8 Å²	106.8	60%	0.602	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	-20.6	-173.5	-98.7	102.1	0	0	0	114.8	G504 T508	G504-L506 VanDerWaalsContact C-N 3.3Å; G504-L506 PolarHBondContact O-N 2.92Å; L506-T508 PolarHBondContact O-N 3.12Å
507	E	37.6	Very low	49.3	Very low	127 Å²	127	105.7 Å²	105.7	59%	0.593	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-75.5	-14.6	172.7	-71.4	-154.7	147.7	0	0	113.2	F509 R510 R511	E507-F509 VanDerWaalsContact C-N 3.29Å; E507-F509 PolarHBondContact O-N 2.95Å; E507-R510 PolarHBondContact O-N 2.85Å; E507-R511 VanDerWaalsContact O-CG 3.29Å; E507-R511 WeakPolarHBondContact O-CG 3.07Å; E507-R511 PolarHBondContact O-N 3.39Å
508	T	46.2	Very low	51.8	Low	33 Å²	33	101 Å²	101	20%	0.202	56%	0.559	C	S	.	*	G	3₁₀ helix	trans	-68.9	-19.5	-169.3	41.5	0	0	0	0	114.8	G505 L506 V550	G505-T508 PolarHBondContact O-OG1 3.1Å; L506-T508 PolarHBondContact O-N 3.12Å; T508-V550 HydrophobicContact CG2-CB 4.33Å; T508-V550 HydrophobicContact CG2-CG2 3.49Å; T508-V550 VanDerWaalsContact CG2-CG2 3.49Å
509	F	41.2	Very low	54.4	Low	116 Å²	116	99.7 Å²	99.7	51%	0.509	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-94.6	-12.7	177	-75.5	-80	0	0	0	114.7	E507 K543	E507-F509 VanDerWaalsContact C-N 3.29Å; E507-F509 PolarHBondContact O-N 2.95Å; F509-K543 PolarHBondContact O-NZ 2.75Å
510	R	58.2	Low	57.4	Low	161 Å²	161	92.4 Å²	92.4	61%	0.608	51%	0.505	S	S	*	.			trans	-127	23	-175	-72	-179.6	-178.7	162.8	4.4	113.1	E507 E512 Q513	E507-R510 PolarHBondContact O-N 2.85Å; R510-E512 VanDerWaalsContact CA-OE2 3.22Å; R510-E512 WeakPolarHBondContact CA-OE2 3.46Å; R510-E512 PolarHBondContact O-N 3.08Å; R510-Q513 HydrophobicContact CB-CG 4.08Å; R510-Q513 VanDerWaalsContact O-CB 3.27Å; R510-Q513 WeakPolarHBondContact O-CB 3.36Å; R510-Q513 PolarHBondContact O-N 3.36Å
511	R	63.2	Low	60.1	Low	95 Å²	95	89.4 Å²	89.4	36%	0.358	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-17	177.8	-67	-171.3	165.4	176.8	-3.9	114.2	E507 Q513 S514 L548	E507-R511 VanDerWaalsContact O-CG 3.29Å; E507-R511 WeakPolarHBondContact O-CG 3.07Å; E507-R511 PolarHBondContact O-N 3.39Å; R511-Q513 VanDerWaalsContact C-N 3.28Å; R511-S514 PolarHBondContact O-OG 3.48Å; R511-L548 HydrophobicContact CB-CB 4.42Å; R511-L548 HydrophobicContact CB-CD2 3.82Å
512	E	73	Confident	62.6	Low	22 Å²	22	84.6 Å²	84.6	10%	0.103	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.8	171	77.8	-78.3	-168	0	0	114.2	R510 L515 F520 F524 R528 F531 K543	R510-E512 VanDerWaalsContact CA-OE2 3.22Å; R510-E512 WeakPolarHBondContact CA-OE2 3.46Å; R510-E512 PolarHBondContact O-N 3.08Å; E512-L515 HydrophobicContact CB-CD1 4.48Å; E512-F520 HydrophobicContact CB-CD2 4.33Å; E512-F520 HydrophobicContact CB-CE2 3.78Å; E512-F520 HydrophobicContact CG-CE2 4Å; E512-F520 WeakPolarHBondContact O-CD2 2.88Å; E512-F524 HydrophobicContact CB-CE2 3.79Å; E512-F524 HydrophobicContact CB-CZ 3.99Å; E512-R528 PolarHBondContact O-NH2 3.5Å; E512-R528 VanDerWaalsContact O-NH2 3.09Å; E512-F531 HydrophobicContact CG-CE1 4.16Å; E512-K543 WeakPolarHBondContact OE1-CE 3.23Å; E512-K543 IonicContact OE1-NZ 3.11Å; E512-K543 PolarHBondContact OE1-NZ 2.94Å; E512-K543 WeakPolarHBondContact OE2-CE 3.48Å; E512-K543 IonicContact OE2-NZ 2.9Å; E512-K543 PolarHBondContact OE2-NZ 3.05Å
513	Q	71.7	Confident	65.1	Low	116 Å²	116	80 Å²	80	54%	0.542	45%	0.447	S	S	.	.	S	Bend	trans	-79.4	-23	178.7	-64.2	-172.1	-15.6	0	0	112.5	R510 R511 L515 R528	R510-Q513 HydrophobicContact CB-CG 4.08Å; R510-Q513 VanDerWaalsContact O-CB 3.27Å; R510-Q513 WeakPolarHBondContact O-CB 3.36Å; R510-Q513 PolarHBondContact O-N 3.36Å; R511-Q513 VanDerWaalsContact C-N 3.28Å; Q513-L515 VanDerWaalsContact C-N 3.29Å; Q513-R528 PolarHBondContact O-NH2 2.94Å
514	S	70.7	Confident	67.6	Low	99 Å²	99	76.2 Å²	76.2	69%	0.692	43%	0.427	S	S	*	.	S	Bend	trans	-82.1	-5.8	174.9	61.1	0	0	0	0	113.6	R511	R511-S514 PolarHBondContact O-OG 3.48Å
515	L	78.1	Confident	70.1	Confident	29 Å²	29	81.6 Å²	81.6	15%	0.152	44%	0.438	C	S	.	.	S	Bend	trans	-79.1	139	175.2	-59.6	173	0	0	0	110.7	E512 Q513 E519 F520 L523 F524 R528 L548	E512-L515 HydrophobicContact CB-CD1 4.48Å; Q513-L515 VanDerWaalsContact C-N 3.29Å; L515-E519 HydrophobicContact CB-CB 4.18Å; L515-E519 HydrophobicContact CD2-CB 4.15Å; L515-F520 HydrophobicContact CB-CB 4.21Å; L515-F520 HydrophobicContact CB-CD2 4.43Å; L515-F520 HydrophobicContact CD1-CB 4.45Å; L515-F520 HydrophobicContact CD1-CD2 4.11Å; L515-L523 HydrophobicContact CD1-CD2 3.64Å; L515-L523 HydrophobicContact CD2-CD2 4.44Å; L515-F524 HydrophobicContact CD1-CD2 4.44Å; L515-F524 HydrophobicContact CD1-CE2 3.82Å; L515-R528 PolarHBondContact O-NH2 3.17Å; L515-L548 HydrophobicContact CD1-CD1 4.21Å
516	S	85.7	Confident	72.7	Confident	56 Å²	56	80.3 Å²	80.3	39%	0.392	42%	0.416	S	S	.	.			trans	-63.8	158.3	162.8	65.5	0	0	0	0	110.7	S518 E519 F520	S516-S518 PolarHBondContact O-N 3.37Å; S516-S518 VanDerWaalsContact O-N 3.16Å; S516-E519 VanDerWaalsContact CB-OE2 3.31Å; S516-E519 WeakPolarHBondContact CB-OE2 3.5Å; S516-E519 PolarHBondContact N-OE2 2.93Å; S516-E519 PolarHBondContact O-N 3.45Å; S516-E519 VanDerWaalsContact O-N 3.11Å; S516-E519 VanDerWaalsContact OG-CD 3.23Å; S516-E519 VanDerWaalsContact OG-CG 3.24Å; S516-E519 WeakPolarHBondContact OG-CG 3.46Å; S516-E519 PolarHBondContact OG-N 2.84Å; S516-E519 PolarHBondContact OG-OE2 3.2Å; S516-F520 WeakPolarHBondContact O-CB 3.03Å; S516-F520 PolarHBondContact O-N 3.22Å
517	D	81.2	Confident	75.2	Confident	115 Å²	115	78.6 Å²	78.6	62%	0.615	41%	0.41	S	S	*	.	H	α-helix	trans	-59	-31.4	-179.9	-68.7	-25.2	0	0	0	112.5	A521 R528	D517-A521 WeakPolarHBondContact O-CB 3.43Å; D517-A521 PolarHBondContact O-N 3.4Å; D517-R528 IonicContact OD1-CZ 2.82Å; D517-R528 IonicContact OD1-NH1 2.76Å; D517-R528 PolarHBondContact OD1-NH1 3.02Å
518	S	81.7	Confident	77.6	Confident	87 Å²	87	76.1 Å²	76.1	61%	0.608	40%	0.395	S	S	*	.	H	α-helix	trans	-69.4	-44.4	175	-175.3	0	0	0	0	112.7	S516 T522	S516-S518 PolarHBondContact O-N 3.37Å; S516-S518 VanDerWaalsContact O-N 3.16Å; S518-T522 WeakPolarHBondContact O-CB 2.74Å; S518-T522 PolarHBondContact O-N 3.38Å; S518-T522 VanDerWaalsContact O-N 3.1Å; S518-T522 PolarHBondContact O-OG1 2.84Å
519	E	85.9	Confident	79.5	Confident	102 Å²	102	76.3 Å²	76.3	48%	0.477	40%	0.404	S	S	.	.	H	α-helix	trans	-67.3	-40.5	176.8	-70.9	163.6	139.5	0	0	110.9	L515 S516 T522 L523	L515-E519 HydrophobicContact CB-CB 4.18Å; L515-E519 HydrophobicContact CD2-CB 4.15Å; S516-E519 VanDerWaalsContact CB-OE2 3.31Å; S516-E519 WeakPolarHBondContact CB-OE2 3.5Å; S516-E519 PolarHBondContact N-OE2 2.93Å; S516-E519 PolarHBondContact O-N 3.45Å; S516-E519 VanDerWaalsContact O-N 3.11Å; S516-E519 VanDerWaalsContact OG-CD 3.23Å; S516-E519 VanDerWaalsContact OG-CG 3.24Å; S516-E519 WeakPolarHBondContact OG-CG 3.46Å; S516-E519 PolarHBondContact OG-N 2.84Å; S516-E519 PolarHBondContact OG-OE2 3.2Å; E519-T522 PolarHBondContact O-N 3.06Å; E519-L523 WeakPolarHBondContact O-CB 3.5Å; E519-L523 PolarHBondContact O-N 3.12Å
520	F	90.3	Very high	81.6	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.009	40%	0.402	C	S	.	.	H	α-helix	trans	-60.3	-49.1	177	-166.9	-75.1	0	0	0	111.6	E512 L515 S516 T522 L523 F524 R528 F531	E512-F520 HydrophobicContact CB-CD2 4.33Å; E512-F520 HydrophobicContact CB-CE2 3.78Å; E512-F520 HydrophobicContact CG-CE2 4Å; E512-F520 WeakPolarHBondContact O-CD2 2.88Å; L515-F520 HydrophobicContact CB-CB 4.21Å; L515-F520 HydrophobicContact CB-CD2 4.43Å; L515-F520 HydrophobicContact CD1-CB 4.45Å; L515-F520 HydrophobicContact CD1-CD2 4.11Å; S516-F520 WeakPolarHBondContact O-CB 3.03Å; S516-F520 PolarHBondContact O-N 3.22Å; F520-T522 VanDerWaalsContact C-N 3.29Å; F520-T522 PolarHBondContact O-N 2.86Å; F520-L523 PolarHBondContact O-N 2.92Å; F520-F524 HydrophobicContact CD1-CB 4.44Å; F520-F524 AromaticContact CD1-CD2 3.88Å; F520-F524 HydrophobicContact CD1-CD2 3.88Å; F520-F524 AromaticContact CD2-CD2 3.89Å; F520-F524 HydrophobicContact CD2-CD2 3.89Å; F520-F524 AromaticContact CD2-CE2 4Å; F520-F524 HydrophobicContact CD2-CE2 4Å; F520-F524 HydrophobicContact CE1-CB 4.16Å; F520-F524 AromaticContact CE1-CD2 3.74Å; F520-F524 HydrophobicContact CE1-CD2 3.74Å; F520-F524 HydrophobicContact CE1-CG 4.26Å; F520-F524 AromaticContact CE2-CD2 3.78Å; F520-F524 HydrophobicContact CE2-CD2 3.78Å; F520-F524 AromaticContact CE2-CE2 3.79Å; F520-F524 HydrophobicContact CE2-CE2 3.79Å; F520-F524 AromaticContact CG-CD2 3.94Å; F520-F524 HydrophobicContact CG-CD2 3.94Å; F520-F524 HydrophobicContact CG-CE2 4.48Å; F520-F524 AromaticContact CZ-CD2 3.68Å; F520-F524 HydrophobicContact CZ-CD2 3.68Å; F520-F524 HydrophobicContact CZ-CE2 4.06Å; F520-F524 HydrophobicContact CZ-CG 4.39Å; F520-F524 PolarHBondContact O-N 2.86Å; F520-R528 HydrophobicContact CD1-CB 4.32Å; F520-R528 HydrophobicContact CE1-CB 4.2Å; F520-R528 HydrophobicContact CE2-CG 4.35Å; F520-R528 HydrophobicContact CZ-CB 4.3Å; F520-R528 HydrophobicContact CZ-CG 4.37Å; F520-F531 HydrophobicContact CE1-CB 3.67Å; F520-F531 HydrophobicContact CE1-CD2 4.46Å; F520-F531 HydrophobicContact CE1-CG 4.12Å; F520-F531 HydrophobicContact CZ-CB 3.46Å; F520-F531 VanDerWaalsContact CZ-CB 3.46Å; F520-F531 AromaticContact CZ-CD1 3.8Å; F520-F531 HydrophobicContact CZ-CD1 3.8Å; F520-F531 AromaticContact CZ-CD2 4Å; F520-F531 HydrophobicContact CZ-CD2 4Å; F520-F531 AromaticContact CZ-CG 3.5Å; F520-F531 HydrophobicContact CZ-CG 3.5Å
521	A	86.7	Confident	83.1	Confident	45 Å²	45	68.2 Å²	68.2	37%	0.372	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-37.5	178.4	0	0	0	0	0	112.1	D517 H525 M526	D517-A521 WeakPolarHBondContact O-CB 3.43Å; D517-A521 PolarHBondContact O-N 3.4Å; A521-H525 VanDerWaalsContact O-CA 3.25Å; A521-H525 WeakPolarHBondContact O-CA 3.09Å; A521-H525 PolarHBondContact O-N 3.28Å; A521-H525 VanDerWaalsContact O-N 3.09Å; A521-M526 WeakPolarHBondContact CA-O 2.96Å
522	T	85.7	Confident	84	Confident	98 Å²	98	69.6 Å²	69.6	60%	0.601	39%	0.385	S	S	*	.	H	α-helix	trans	-68.1	-42.5	176.9	-56.1	0	0	0	0	111.7	S518 E519 F520 H525	S518-T522 WeakPolarHBondContact O-CB 2.74Å; S518-T522 PolarHBondContact O-N 3.38Å; S518-T522 VanDerWaalsContact O-N 3.1Å; S518-T522 PolarHBondContact O-OG1 2.84Å; E519-T522 PolarHBondContact O-N 3.06Å; F520-T522 VanDerWaalsContact C-N 3.29Å; F520-T522 PolarHBondContact O-N 2.86Å; T522-H525 PolarHBondContact O-CE1 3.38Å
523	L	86	Confident	84.5	Confident	66 Å²	66	76.4 Å²	76.4	35%	0.346	42%	0.417	S	S	.	.	H	α-helix	trans	-80.8	-36.8	-172.3	-167.6	71.1	0	0	0	113.4	L515 E519 F520 A546 L548	L515-L523 HydrophobicContact CD1-CD2 3.64Å; L515-L523 HydrophobicContact CD2-CD2 4.44Å; E519-L523 WeakPolarHBondContact O-CB 3.5Å; E519-L523 PolarHBondContact O-N 3.12Å; F520-L523 PolarHBondContact O-N 2.92Å; L523-A546 HydrophobicContact CD1-CB 4.09Å; L523-A546 HydrophobicContact CD2-CB 3.84Å; L523-A546 HydrophobicContact CG-CB 3.67Å; L523-L548 HydrophobicContact CD2-CD1 3.49Å; L523-L548 VanDerWaalsContact CD2-CD1 3.49Å; L523-L548 HydrophobicContact CD2-CG 4.14Å
524	F	87.6	Confident	84.8	Confident	4 Å²	4	72.8 Å²	72.8	2%	0.018	40%	0.401	C	S	.	.	H	α-helix	trans	-104.8	-7.7	-176.2	-67.9	-67.7	0	0	0	114.6	E512 L515 F520 M526 F531 K542 K543 A546 L548	E512-F524 HydrophobicContact CB-CE2 3.79Å; E512-F524 HydrophobicContact CB-CZ 3.99Å; L515-F524 HydrophobicContact CD1-CD2 4.44Å; L515-F524 HydrophobicContact CD1-CE2 3.82Å; F520-F524 HydrophobicContact CD1-CB 4.44Å; F520-F524 AromaticContact CD1-CD2 3.88Å; F520-F524 HydrophobicContact CD1-CD2 3.88Å; F520-F524 AromaticContact CD2-CD2 3.89Å; F520-F524 HydrophobicContact CD2-CD2 3.89Å; F520-F524 AromaticContact CD2-CE2 4Å; F520-F524 HydrophobicContact CD2-CE2 4Å; F520-F524 HydrophobicContact CE1-CB 4.16Å; F520-F524 AromaticContact CE1-CD2 3.74Å; F520-F524 HydrophobicContact CE1-CD2 3.74Å; F520-F524 HydrophobicContact CE1-CG 4.26Å; F520-F524 AromaticContact CE2-CD2 3.78Å; F520-F524 HydrophobicContact CE2-CD2 3.78Å; F520-F524 AromaticContact CE2-CE2 3.79Å; F520-F524 HydrophobicContact CE2-CE2 3.79Å; F520-F524 AromaticContact CG-CD2 3.94Å; F520-F524 HydrophobicContact CG-CD2 3.94Å; F520-F524 HydrophobicContact CG-CE2 4.48Å; F520-F524 AromaticContact CZ-CD2 3.68Å; F520-F524 HydrophobicContact CZ-CD2 3.68Å; F520-F524 HydrophobicContact CZ-CE2 4.06Å; F520-F524 HydrophobicContact CZ-CG 4.39Å; F520-F524 PolarHBondContact O-N 2.86Å; F524-M526 HydrophobicContact CB-CG 3.87Å; F524-M526 WeakPolarHBondContact O-CG 3.33Å; F524-M526 PolarHBondContact O-N 2.85Å; F524-F531 HydrophobicContact CD1-CD2 4.18Å; F524-F531 AromaticContact CD1-CE2 3.82Å; F524-F531 HydrophobicContact CD1-CE2 3.82Å; F524-F531 AromaticContact CE1-CE2 3.75Å; F524-F531 HydrophobicContact CE1-CE2 3.75Å; F524-F531 HydrophobicContact CE1-CZ 4.32Å; F524-F531 HydrophobicContact CG-CD2 4.22Å; F524-F531 HydrophobicContact CG-CE2 4.26Å; F524-F531 HydrophobicContact CZ-CE2 4.16Å; F524-F531 HydrophobicContact CZ-CZ 4.39Å; F524-K542 HydrophobicContact CD1-CB 3.89Å; F524-K542 HydrophobicContact CE1-CB 4.06Å; F524-K542 PolarHBondContact O-NZ 3.1Å; F524-K542 VanDerWaalsContact O-NZ 3.17Å; F524-K543 HydrophobicContact CE1-CG 4.24Å; F524-K543 HydrophobicContact CZ-CG 4.2Å; F524-A546 HydrophobicContact CD1-CB 4.33Å; F524-A546 HydrophobicContact CE1-CB 3.78Å; F524-A546 HydrophobicContact CZ-CB 4.2Å; F524-L548 HydrophobicContact CE1-CD1 4.39Å; F524-L548 HydrophobicContact CE2-CD1 3.95Å; F524-L548 HydrophobicContact CZ-CD1 3.46Å; F524-L548 VanDerWaalsContact CZ-CD1 3.46Å
525	H	87.5	Confident	84.4	Confident	165 Å²	165	71 Å²	71	76%	0.764	39%	0.387	S	S	*	.	S	Bend	trans	54.3	38	-174.5	-55.9	-60.9	0	0	0	113.1	A521 T522	A521-H525 VanDerWaalsContact O-CA 3.25Å; A521-H525 WeakPolarHBondContact O-CA 3.09Å; A521-H525 PolarHBondContact O-N 3.28Å; A521-H525 VanDerWaalsContact O-N 3.09Å; T522-H525 PolarHBondContact O-CE1 3.38Å
526	M	90	Very high	83.7	Confident	34 Å²	34	75.7 Å²	75.7	17%	0.167	41%	0.412	C	S	.	.	S	Bend	trans	-164.5	161.9	179.4	58.2	-174.3	35.9	0	0	110.8	A521 F524 Q530 F531 L534 K542	A521-M526 WeakPolarHBondContact CA-O 2.96Å; F524-M526 HydrophobicContact CB-CG 3.87Å; F524-M526 WeakPolarHBondContact O-CG 3.33Å; F524-M526 PolarHBondContact O-N 2.85Å; M526-Q530 HydrophobicContact CB-CB 4.02Å; M526-F531 HydrophobicContact CG-CB 4.33Å; M526-F531 HydrophobicContact SD-CB 3.96Å; M526-F531 HydrophobicContact SD-CD2 3.96Å; M526-F531 HydrophobicContact SD-CG 4.46Å; M526-L534 HydrophobicContact CE-CD1 4.1Å; M526-L534 HydrophobicContact SD-CD1 3.69Å; M526-K542 HydrophobicContact CE-CD 4.17Å; M526-K542 VanDerWaalsContact CE-NZ 3.26Å; M526-K542 HydrophobicContact SD-CD 3.85Å
527	T	90.3	Very high	82.4	Confident	78 Å²	78	81.1 Å²	81.1	48%	0.479	43%	0.425	S	S	.	.			trans	-73.7	160.8	174.9	69	0	0	0	0	111.5	G529 Q530 F531	T527-G529 VanDerWaalsContact C-N 3.28Å; T527-G529 PolarHBondContact O-N 2.82Å; T527-Q530 PolarHBondContact O-N 3.44Å; T527-Q530 WeakPolarHBondContact OG1-CG 3.34Å; T527-Q530 PolarHBondContact OG1-N 3.37Å; T527-F531 PolarHBondContact O-N 3.09Å
528	R	88.3	Confident	82	Confident	75 Å²	75	77.2 Å²	77.2	28%	0.283	41%	0.406	S	S	.	.	H	α-helix	trans	-57.9	-40.8	175.2	-174.6	173.4	-86.5	156.7	-12.2	112	E512 Q513 L515 D517 F520 F531 E532	E512-R528 PolarHBondContact O-NH2 3.5Å; E512-R528 VanDerWaalsContact O-NH2 3.09Å; Q513-R528 PolarHBondContact O-NH2 2.94Å; L515-R528 PolarHBondContact O-NH2 3.17Å; D517-R528 IonicContact OD1-CZ 2.82Å; D517-R528 IonicContact OD1-NH1 2.76Å; D517-R528 PolarHBondContact OD1-NH1 3.02Å; F520-R528 HydrophobicContact CD1-CB 4.32Å; F520-R528 HydrophobicContact CE1-CB 4.2Å; F520-R528 HydrophobicContact CE2-CG 4.35Å; F520-R528 HydrophobicContact CZ-CB 4.3Å; F520-R528 HydrophobicContact CZ-CG 4.37Å; R528-F531 PolarHBondContact O-N 3.24Å; R528-E532 WeakPolarHBondContact O-CG 3.31Å; R528-E532 PolarHBondContact O-N 2.99Å
529	G	86.4	Confident	81.9	Confident	38 Å²	38	75.3 Å²	75.3	39%	0.392	39%	0.387	S	S	.	.	H	α-helix	trans	-60.4	-45.9	173.9	0	0	0	0	0	113.1	T527 F531 E532 E533	T527-G529 VanDerWaalsContact C-N 3.28Å; T527-G529 PolarHBondContact O-N 2.82Å; G529-F531 VanDerWaalsContact C-N 3.3Å; G529-F531 PolarHBondContact O-N 3.32Å; G529-E532 PolarHBondContact O-N 3.45Å; G529-E533 PolarHBondContact O-N 2.93Å
530	Q	86.4	Confident	81	Confident	101 Å²	101	74 Å²	74	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-36.9	175.5	-74.4	172.4	-28.9	0	0	112.5	M526 T527	M526-Q530 HydrophobicContact CB-CB 4.02Å; T527-Q530 PolarHBondContact O-N 3.44Å; T527-Q530 WeakPolarHBondContact OG1-CG 3.34Å; T527-Q530 PolarHBondContact OG1-N 3.37Å
531	F	88.3	Confident	80.1	Confident	6 Å²	6	76.8 Å²	76.8	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-68.1	-37.7	176.4	-175.9	-90.9	0	0	0	111.9	E512 F520 F524 M526 T527 R528 G529 E533 L534 K539 K542 K543	E512-F531 HydrophobicContact CG-CE1 4.16Å; F520-F531 HydrophobicContact CE1-CB 3.67Å; F520-F531 HydrophobicContact CE1-CD2 4.46Å; F520-F531 HydrophobicContact CE1-CG 4.12Å; F520-F531 HydrophobicContact CZ-CB 3.46Å; F520-F531 VanDerWaalsContact CZ-CB 3.46Å; F520-F531 AromaticContact CZ-CD1 3.8Å; F520-F531 HydrophobicContact CZ-CD1 3.8Å; F520-F531 AromaticContact CZ-CD2 4Å; F520-F531 HydrophobicContact CZ-CD2 4Å; F520-F531 AromaticContact CZ-CG 3.5Å; F520-F531 HydrophobicContact CZ-CG 3.5Å; F524-F531 HydrophobicContact CD1-CD2 4.18Å; F524-F531 AromaticContact CD1-CE2 3.82Å; F524-F531 HydrophobicContact CD1-CE2 3.82Å; F524-F531 AromaticContact CE1-CE2 3.75Å; F524-F531 HydrophobicContact CE1-CE2 3.75Å; F524-F531 HydrophobicContact CE1-CZ 4.32Å; F524-F531 HydrophobicContact CG-CD2 4.22Å; F524-F531 HydrophobicContact CG-CE2 4.26Å; F524-F531 HydrophobicContact CZ-CE2 4.16Å; F524-F531 HydrophobicContact CZ-CZ 4.39Å; M526-F531 HydrophobicContact CG-CB 4.33Å; M526-F531 HydrophobicContact SD-CB 3.96Å; M526-F531 HydrophobicContact SD-CD2 3.96Å; M526-F531 HydrophobicContact SD-CG 4.46Å; T527-F531 PolarHBondContact O-N 3.09Å; R528-F531 PolarHBondContact O-N 3.24Å; G529-F531 VanDerWaalsContact C-N 3.3Å; G529-F531 PolarHBondContact O-N 3.32Å; F531-E533 VanDerWaalsContact C-N 3.29Å; F531-E533 PolarHBondContact O-N 2.96Å; F531-L534 HydrophobicContact CD2-CD1 4.27Å; F531-L534 WeakPolarHBondContact O-CB 3.28Å; F531-L534 PolarHBondContact O-N 3.33Å; F531-K539 HydrophobicContact CD1-CG 4.27Å; F531-K539 HydrophobicContact CE1-CB 4.09Å; F531-K539 HydrophobicContact CE1-CD 4.2Å; F531-K539 HydrophobicContact CE1-CG 3.88Å; F531-K539 HydrophobicContact CE2-CB 4.35Å; F531-K539 HydrophobicContact CE2-CG 4.41Å; F531-K539 HydrophobicContact CZ-CB 3.76Å; F531-K539 HydrophobicContact CZ-CG 3.95Å; F531-K539 WeakPolarHBondContact O-CE 3.47Å; F531-K542 HydrophobicContact CD2-CD 4.27Å; F531-K542 HydrophobicContact CE2-CB 4.02Å; F531-K542 HydrophobicContact CE2-CD 4.28Å; F531-K543 HydrophobicContact CZ-CG 4.09Å
532	E	81.8	Confident	79.9	Confident	123 Å²	123	77.5 Å²	77.5	58%	0.575	40%	0.401	S	S	*	.	H	α-helix	trans	-65.8	-28.7	178.4	-77.2	175.9	-177.4	0	0	113.4	R528 G529 L534 K539	R528-E532 WeakPolarHBondContact O-CG 3.31Å; R528-E532 PolarHBondContact O-N 2.99Å; G529-E532 PolarHBondContact O-N 3.45Å; E532-L534 VanDerWaalsContact C-N 3.29Å; E532-L534 PolarHBondContact O-N 3.15Å; E532-K539 WeakPolarHBondContact O-CE 3.48Å; E532-K539 PolarHBondContact O-NZ 3.41Å
533	E	83.6	Confident	79.6	Confident	166 Å²	166	74.1 Å²	74.1	78%	0.776	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-14	175.4	-68.7	178.4	174.4	0	0	113.7	G529 F531	G529-E533 PolarHBondContact O-N 2.93Å; F531-E533 VanDerWaalsContact C-N 3.29Å; F531-E533 PolarHBondContact O-N 2.96Å
534	L	78.4	Confident	78.9	Confident	39 Å²	39	76.7 Å²	76.7	20%	0.204	39%	0.387	C	S	.	.	S	Bend	trans	-70.1	143.4	-178.8	-69.7	177	0	0	0	112.6	M526 F531 E532 K539 K542	M526-L534 HydrophobicContact CE-CD1 4.1Å; M526-L534 HydrophobicContact SD-CD1 3.69Å; F531-L534 HydrophobicContact CD2-CD1 4.27Å; F531-L534 WeakPolarHBondContact O-CB 3.28Å; F531-L534 PolarHBondContact O-N 3.33Å; E532-L534 VanDerWaalsContact C-N 3.29Å; E532-L534 PolarHBondContact O-N 3.15Å; L534-K539 HydrophobicContact CB-CG 3.77Å; L534-K539 WeakPolarHBondContact O-CD 3.42Å; L534-K539 WeakPolarHBondContact O-CE 3.22Å; L534-K539 PolarHBondContact O-NZ 2.73Å; L534-K542 HydrophobicContact CD1-CD 3.67Å
535	P	62.8	Low	78.3	Confident	62 Å²	62	81 Å²	81	40%	0.403	42%	0.422	S	S	.	.			trans	-54.7	146.5	165.4	-24.9	34	0	0	0	111.9	Y537 S538 K539	P535-Y537 VanDerWaalsContact C-N 3.26Å; P535-Y537 HydrophobicContact CB-CD1 3.56Å; P535-Y537 HydrophobicContact CB-CE1 3.17Å; P535-Y537 HydrophobicContact CB-CG 4.49Å; P535-Y537 HydrophobicContact CG-CE1 3.81Å; P535-Y537 PolarHBondContact O-N 3.05Å; P535-Y537 VanDerWaalsContact O-N 3.13Å; P535-S538 WeakPolarHBondContact O-CB 3.2Å; P535-S538 PolarHBondContact O-N 3.47Å; P535-K539 PolarHBondContact O-N 3.34Å; P535-K539 VanDerWaalsContact O-N 3.1Å
536	L	62.7	Low	77.8	Confident	127 Å²	127	74 Å²	74	67%	0.665	39%	0.394	S	S	*	.	H	α-helix	trans	-52	-41	-175.5	-175.2	67.2	0	0	0	113.3	S538 K539 L540	L536-S538 VanDerWaalsContact C-N 3.28Å; L536-S538 PolarHBondContact O-N 3.46Å; L536-K539 PolarHBondContact O-N 3.28Å; L536-L540 HydrophobicContact CG-CD1 4.03Å; L536-L540 HydrophobicContact CG-CG 4.47Å; L536-L540 WeakPolarHBondContact O-CB 3.48Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.29Å; L536-L540 PolarHBondContact O-N 3.32Å
537	Y	58.8	Low	77	Confident	170 Å²	170	75.3 Å²	75.3	67%	0.667	42%	0.416	S	S	*	.	H	α-helix	trans	-62.3	-36.1	178.5	70.1	-94.9	0	0	0	112.5	P535 L540 A541	P535-Y537 VanDerWaalsContact C-N 3.26Å; P535-Y537 HydrophobicContact CB-CD1 3.56Å; P535-Y537 HydrophobicContact CB-CE1 3.17Å; P535-Y537 HydrophobicContact CB-CG 4.49Å; P535-Y537 HydrophobicContact CG-CE1 3.81Å; P535-Y537 PolarHBondContact O-N 3.05Å; P535-Y537 VanDerWaalsContact O-N 3.13Å; Y537-L540 PolarHBondContact O-N 2.8Å; Y537-A541 WeakPolarHBondContact O-CB 3.32Å; Y537-A541 PolarHBondContact O-N 2.7Å
538	S	72.1	Confident	76	Confident	33 Å²	33	72.9 Å²	72.9	23%	0.231	40%	0.4	C	S	.	.	H	α-helix	trans	-75.9	-37	-179.3	-148.6	0	0	0	0	111	P535 L536 K542	P535-S538 WeakPolarHBondContact O-CB 3.2Å; P535-S538 PolarHBondContact O-N 3.47Å; L536-S538 VanDerWaalsContact C-N 3.28Å; L536-S538 PolarHBondContact O-N 3.46Å; S538-K542 WeakPolarHBondContact O-CB 3.42Å; S538-K542 WeakPolarHBondContact O-CG 3.23Å; S538-K542 PolarHBondContact O-N 2.64Å; S538-K542 VanDerWaalsContact O-N 3.08Å
539	K	80.4	Confident	74.4	Confident	48 Å²	48	71.4 Å²	71.4	21%	0.209	40%	0.401	C	S	.	.	H	α-helix	trans	-59.4	-47.9	169.5	-68.1	175	171.5	161.6	0	111.1	F531 E532 L534 P535 L536 K542 K543	F531-K539 HydrophobicContact CD1-CG 4.27Å; F531-K539 HydrophobicContact CE1-CB 4.09Å; F531-K539 HydrophobicContact CE1-CD 4.2Å; F531-K539 HydrophobicContact CE1-CG 3.88Å; F531-K539 HydrophobicContact CE2-CB 4.35Å; F531-K539 HydrophobicContact CE2-CG 4.41Å; F531-K539 HydrophobicContact CZ-CB 3.76Å; F531-K539 HydrophobicContact CZ-CG 3.95Å; F531-K539 WeakPolarHBondContact O-CE 3.47Å; E532-K539 WeakPolarHBondContact O-CE 3.48Å; E532-K539 PolarHBondContact O-NZ 3.41Å; L534-K539 HydrophobicContact CB-CG 3.77Å; L534-K539 WeakPolarHBondContact O-CD 3.42Å; L534-K539 WeakPolarHBondContact O-CE 3.22Å; L534-K539 PolarHBondContact O-NZ 2.73Å; P535-K539 PolarHBondContact O-N 3.34Å; P535-K539 VanDerWaalsContact O-N 3.1Å; L536-K539 PolarHBondContact O-N 3.28Å; K539-K542 PolarHBondContact O-N 2.81Å; K539-K543 WeakPolarHBondContact O-CG 3.14Å; K539-K543 PolarHBondContact O-N 2.93Å
540	L	67.9	Low	72.4	Confident	73 Å²	73	73.5 Å²	73.5	38%	0.382	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-42.8	179.7	-70.6	169.2	0	0	0	112.4	L536 Y537 K542 K543 K544	L536-L540 HydrophobicContact CG-CD1 4.03Å; L536-L540 HydrophobicContact CG-CG 4.47Å; L536-L540 WeakPolarHBondContact O-CB 3.48Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.29Å; L536-L540 PolarHBondContact O-N 3.32Å; Y537-L540 PolarHBondContact O-N 2.8Å; L540-K542 VanDerWaalsContact C-N 3.34Å; L540-K542 PolarHBondContact O-N 3.06Å; L540-K543 PolarHBondContact O-N 3.16Å; L540-K544 WeakPolarHBondContact O-CB 3.42Å; L540-K544 PolarHBondContact O-N 3.34Å
541	A	70.4	Confident	70	Confident	61 Å²	61	75.3 Å²	75.3	50%	0.504	41%	0.413	S	S	.	.	H	α-helix	trans	-61	-42.3	175.8	0	0	0	0	0	112.1	Y537 K544 A545	Y537-A541 WeakPolarHBondContact O-CB 3.32Å; Y537-A541 PolarHBondContact O-N 2.7Å; A541-K544 WeakPolarHBondContact O-CB 3.39Å; A541-K544 PolarHBondContact O-N 2.6Å; A541-A545 PolarHBondContact O-N 2.98Å
542	K	81.8	Confident	67.3	Low	60 Å²	60	79.5 Å²	79.5	26%	0.261	44%	0.44	S	S	.	.	H	α-helix	trans	-65.4	-42.8	175.2	-81.9	-179.5	172.9	-80.3	0	112.8	F524 M526 F531 L534 S538 K539 L540 K544 A545 A546	F524-K542 HydrophobicContact CD1-CB 3.89Å; F524-K542 HydrophobicContact CE1-CB 4.06Å; F524-K542 PolarHBondContact O-NZ 3.1Å; F524-K542 VanDerWaalsContact O-NZ 3.17Å; M526-K542 HydrophobicContact CE-CD 4.17Å; M526-K542 VanDerWaalsContact CE-NZ 3.26Å; M526-K542 HydrophobicContact SD-CD 3.85Å; F531-K542 HydrophobicContact CD2-CD 4.27Å; F531-K542 HydrophobicContact CE2-CB 4.02Å; F531-K542 HydrophobicContact CE2-CD 4.28Å; L534-K542 HydrophobicContact CD1-CD 3.67Å; S538-K542 WeakPolarHBondContact O-CB 3.42Å; S538-K542 WeakPolarHBondContact O-CG 3.23Å; S538-K542 PolarHBondContact O-N 2.64Å; S538-K542 VanDerWaalsContact O-N 3.08Å; K539-K542 PolarHBondContact O-N 2.81Å; L540-K542 VanDerWaalsContact C-N 3.34Å; L540-K542 PolarHBondContact O-N 3.06Å; K542-K544 VanDerWaalsContact C-N 3.3Å; K542-K544 PolarHBondContact O-N 3.16Å; K542-A545 PolarHBondContact O-N 2.95Å; K542-A546 VanDerWaalsContact O-CB 3.27Å; K542-A546 WeakPolarHBondContact O-CB 3.4Å; K542-A546 PolarHBondContact O-N 2.99Å
543	K	80.3	Confident	64.8	Low	28 Å²	28	80 Å²	80	12%	0.122	46%	0.458	C	S	.	.	H	α-helix	trans	-61.8	-38.6	174.9	-70.6	-179.3	-169.8	-163	0	112.2	F509 E512 F524 F531 K539 L540 A546 G547 L548	F509-K543 PolarHBondContact O-NZ 2.75Å; E512-K543 WeakPolarHBondContact OE1-CE 3.23Å; E512-K543 IonicContact OE1-NZ 3.11Å; E512-K543 PolarHBondContact OE1-NZ 2.94Å; E512-K543 WeakPolarHBondContact OE2-CE 3.48Å; E512-K543 IonicContact OE2-NZ 2.9Å; E512-K543 PolarHBondContact OE2-NZ 3.05Å; F524-K543 HydrophobicContact CE1-CG 4.24Å; F524-K543 HydrophobicContact CZ-CG 4.2Å; F531-K543 HydrophobicContact CZ-CG 4.09Å; K539-K543 WeakPolarHBondContact O-CG 3.14Å; K539-K543 PolarHBondContact O-N 2.93Å; L540-K543 PolarHBondContact O-N 3.16Å; K543-A546 PolarHBondContact O-N 3.16Å; K543-G547 PolarHBondContact O-N 3.14Å; K543-L548 HydrophobicContact CB-CB 4.41Å; K543-L548 PolarHBondContact O-N 2.85Å
544	K	71.2	Confident	62.3	Low	120 Å²	120	76.7 Å²	76.7	52%	0.522	45%	0.452	S	S	.	.	H	α-helix	trans	-63	-45.8	174	-173.6	179.4	-179.4	179.9	0	111.5	L540 A541 K542 A546 G547	L540-K544 WeakPolarHBondContact O-CB 3.42Å; L540-K544 PolarHBondContact O-N 3.34Å; A541-K544 WeakPolarHBondContact O-CB 3.39Å; A541-K544 PolarHBondContact O-N 2.6Å; K542-K544 VanDerWaalsContact C-N 3.3Å; K542-K544 PolarHBondContact O-N 3.16Å; K544-A546 VanDerWaalsContact C-N 3.29Å; K544-A546 PolarHBondContact O-N 2.85Å; K544-G547 PolarHBondContact O-N 3.23Å
545	A	75.7	Confident	59.9	Low	93 Å²	93	79.1 Å²	79.1	77%	0.769	47%	0.472	S	S	*	.	H	α-helix	trans	-64.4	-33.3	176.3	0	0	0	0	0	112.9	A541 K542 G547	A541-A545 PolarHBondContact O-N 2.98Å; K542-A545 PolarHBondContact O-N 2.95Å; A545-G547 VanDerWaalsContact C-N 3.29Å; A545-G547 PolarHBondContact O-N 3.07Å
546	A	75.8	Confident	58.2	Low	20 Å²	20	84.7 Å²	84.7	17%	0.165	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	2.7	178.8	0	0	0	0	0	114.7	L523 F524 K542 K543 K544 L548	L523-A546 HydrophobicContact CD1-CB 4.09Å; L523-A546 HydrophobicContact CD2-CB 3.84Å; L523-A546 HydrophobicContact CG-CB 3.67Å; F524-A546 HydrophobicContact CD1-CB 4.33Å; F524-A546 HydrophobicContact CE1-CB 3.78Å; F524-A546 HydrophobicContact CZ-CB 4.2Å; K542-A546 VanDerWaalsContact O-CB 3.27Å; K542-A546 WeakPolarHBondContact O-CB 3.4Å; K542-A546 PolarHBondContact O-N 2.99Å; K543-A546 PolarHBondContact O-N 3.16Å; K544-A546 VanDerWaalsContact C-N 3.29Å; K544-A546 PolarHBondContact O-N 2.85Å; A546-L548 HydrophobicContact CB-CD1 4.06Å; A546-L548 HydrophobicContact CB-CG 4.26Å; A546-L548 PolarHBondContact O-N 3.23Å
547	G	74.1	Confident	56.6	Low	61 Å²	61	84.7 Å²	84.7	63%	0.629	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	13.6	-178.3	0	0	0	0	0	114.6	K543 K544 A545	K543-G547 PolarHBondContact O-N 3.14Å; K544-G547 PolarHBondContact O-N 3.23Å; A545-G547 VanDerWaalsContact C-N 3.29Å; A545-G547 PolarHBondContact O-N 3.07Å
548	L	69.3	Low	54.9	Low	27 Å²	27	87.9 Å²	87.9	14%	0.141	51%	0.506	C	S	.	.			trans	-91.4	1.6	-179	-67.4	168.6	0	0	0	113	R511 L515 L523 F524 K543 A546	R511-L548 HydrophobicContact CB-CB 4.42Å; R511-L548 HydrophobicContact CB-CD2 3.82Å; L515-L548 HydrophobicContact CD1-CD1 4.21Å; L523-L548 HydrophobicContact CD2-CD1 3.49Å; L523-L548 VanDerWaalsContact CD2-CD1 3.49Å; L523-L548 HydrophobicContact CD2-CG 4.14Å; F524-L548 HydrophobicContact CE1-CD1 4.39Å; F524-L548 HydrophobicContact CE2-CD1 3.95Å; F524-L548 HydrophobicContact CZ-CD1 3.46Å; F524-L548 VanDerWaalsContact CZ-CD1 3.46Å; K543-L548 HydrophobicContact CB-CB 4.41Å; K543-L548 PolarHBondContact O-N 2.85Å; A546-L548 HydrophobicContact CB-CD1 4.06Å; A546-L548 HydrophobicContact CB-CG 4.26Å; A546-L548 PolarHBondContact O-N 3.23Å
549	S	55.1	Low	53	Low	43 Å²	43	98.3 Å²	98.3	30%	0.301	56%	0.558	S	S	.	*			trans	-94.4	135.7	177.1	75.6	0	0	0	0	112.4	F551	S549-F551 VanDerWaalsContact C-N 3.35Å; S549-F551 PolarHBondContact O-N 3.18Å
550	V	44.5	Very low	51.7	Low	83 Å²	83	100.9 Å²	100.9	50%	0.503	58%	0.576	S	S	.	*			trans	-97.8	34.7	-179.3	-156	0	0	0	0	112.4	T508	T508-V550 HydrophobicContact CG2-CB 4.33Å; T508-V550 HydrophobicContact CG2-CG2 3.49Å; T508-V550 VanDerWaalsContact CG2-CG2 3.49Å
551	F	36	Very low	50.8	Low	139 Å²	139	102.3 Å²	102.3	61%	0.61	59%	0.586	S	S	*	*			trans	-94	127	173.3	-75.4	-76.2	0	0	0	110.1	S549 S553	S549-F551 VanDerWaalsContact C-N 3.35Å; S549-F551 PolarHBondContact O-N 3.18Å; F551-S553 PolarHBondContact O-N 2.88Å
552	P	30.4	Very low	49.7	Very low	94 Å²	94	104.6 Å²	104.6	61%	0.61	59%	0.59	S	S	*	*			trans	-57	137.7	173.5	-18.5	30	0	0	0	110.3	S554	P552-S554 PolarHBondContact O-N 2.66Å
553	S	30	Very low	47.9	Very low	134 Å²	134	107.2 Å²	107.2	94%	0.937	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	20.2	-176.2	25.6	0	0	0	0	115.2	F551	F551-S553 PolarHBondContact O-N 2.88Å
554	S	31.1	Very low	45.8	Very low	95 Å²	95	112.2 Å²	112.2	66%	0.664	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-1.6	-174.7	58	0	0	0	0	116	P552	P552-S554 PolarHBondContact O-N 2.66Å
555	C	28.3	Very low	44.1	Very low	90 Å²	90	111.7 Å²	111.7	61%	0.608	65%	0.648	S	S	*	*	S	Bend	trans	-106.3	16.9	-171.9	-65.6	0	0	0	0	116.4
556	F	26.1	Very low	41.9	Very low	179 Å²	179	113 Å²	113	79%	0.785	64%	0.64	S	S	*	*			trans	-132.6	90.9	175.6	-84.2	-87.6	0	0	0	111.7
557	T	29.3	Very low	39.3	Very low	128 Å²	128	120.2 Å²	120.2	79%	0.785	68%	0.676	S	S	*	*			trans	-128.6	107.1	159.7	-37.7	0	0	0	0	108.9
558	R	24.1	Very low	36.4	Very low	236 Å²	236	125.1 Å²	125.1	89%	0.891	68%	0.68	S	S	*	*			trans	49.5	106.4	160.2	-66.9	-178.9	-179.1	178.6	-0.1	118.8
559	L	32.3	Very low	33.4	Very low	253 Å²	253	134 Å²	134	100%	1.325	73%	0.729	S	S	*	*				-112.7	0	120.6	-89.4	168.5	0	0	0	107.8

Retrieved 559 of 559 residues in 316.1 ms (Link to these results)

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