A0A077ZKM7_TRITR Loading...

DUF1249 and Metallophos and NUDIX domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZKM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 497 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	53.4	Low	80.6	Confident	242 Å²	242	163.6 Å²	163.6	100%	1.192	77%	0.77	S	S	*	*				0	136.4	0	-81.5	-166	-111.4	0	0	107.8
2	S	58.7	Low	81.1	Confident	109 Å²	109	159.8 Å²	159.8	76%	0.762	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-63.4	154.6	168.4	46.7	0	0	0	0	110.5
3	H	82.9	Confident	81.8	Confident	170 Å²	170	149.5 Å²	149.5	79%	0.787	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-64	163	169.9	-60.2	-74.2	0	0	0	111.1	V5	H3-V5 PolarHBondContact O-N 3.37Å
4	E	85.6	Confident	82.8	Confident	193 Å²	193	145 Å²	145	90%	0.902	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-57.7	130.2	170.9	-164.7	-179	160.5	0	0	109.5
5	V	86.4	Confident	83.6	Confident	102 Å²	102	135.7 Å²	135.7	62%	0.618	64%	0.642	S	S	*	*			trans	-122.2	138.2	-179.6	-74.4	0	0	0	0	109.2	H3	H3-V5 PolarHBondContact O-N 3.37Å
6	R	87.7	Confident	84.5	Confident	244 Å²	244	127.3 Å²	127.3	92%	0.921	60%	0.602	S	S	*	*			trans	-90.7	140.7	168.8	-68.2	-178	177.1	-172.5	-1.8	109.2
7	R	86.4	Confident	85.2	Confident	195 Å²	195	120.5 Å²	120.5	74%	0.736	57%	0.571	S	S	*	*			trans	-132.4	143.6	176.8	-66.5	-67.9	-173.9	141.5	-1	108.4
8	E	85.9	Confident	85.9	Confident	191 Å²	191	113.8 Å²	113.8	89%	0.893	54%	0.539	S	S	*	.			trans	-97.3	131.1	168.2	-68	178.2	173.7	0	0	107.5
9	I	85.2	Confident	86.3	Confident	91 Å²	91	109.8 Å²	109.8	47%	0.467	52%	0.521	S	S	.	.			trans	-126	129.8	178.7	-60.1	-65.3	0	0	0	107.1	E11	I9-E11 PolarHBondContact O-N 2.72Å
10	F	85.7	Confident	86.7	Confident	138 Å²	138	104.4 Å²	104.4	61%	0.605	50%	0.495	S	S	*	.	B	Isolated β-bridge	trans	-81	110.8	173.8	-170.9	-126.4	0	0	0	109.7	R12 G92 T93 S94	F10-R12 HydrophobicContact CD1-CG 4.39Å; F10-R12 HydrophobicContact CE1-CB 4.21Å; F10-R12 HydrophobicContact CE1-CG 4.23Å; F10-R12 HydrophobicContact CZ-CB 4.48Å; F10-G92 WeakPolarHBondContact CB-O 3.43Å; F10-G92 PolarHBondContact N-O 3.43Å; F10-T93 VanDerWaalsContact O-CA 3.31Å; F10-T93 WeakPolarHBondContact O-CA 3.21Å; F10-T93 WeakPolarHBondContact O-CB 3.48Å; F10-T93 PolarHBondContact O-OG1 3.08Å; F10-S94 PolarHBondContact O-N 3.31Å
11	E	88.8	Confident	87	Confident	125 Å²	125	101.5 Å²	101.5	58%	0.584	48%	0.481	S	S	*	.			trans	-98.6	118.2	178	-176.8	61	-104.3	0	0	109.4	I9 G13 S94	I9-E11 PolarHBondContact O-N 2.72Å; E11-G13 PolarHBondContact OE1-N 2.82Å; E11-S94 PolarHBondContact OE1-OG 2.81Å; E11-S94 WeakPolarHBondContact OE2-CB 3.27Å; E11-S94 PolarHBondContact OE2-OG 2.94Å
12	R	86.8	Confident	88.7	Confident	118 Å²	118	90.1 Å²	90.1	45%	0.445	43%	0.425	S	S	.	.			trans	-139.4	7.3	179.5	67.2	175.7	-71.3	-118.8	-0.8	114	F10 M54 E95	F10-R12 HydrophobicContact CD1-CG 4.39Å; F10-R12 HydrophobicContact CE1-CB 4.21Å; F10-R12 HydrophobicContact CE1-CG 4.23Å; F10-R12 HydrophobicContact CZ-CB 4.48Å; R12-M54 PolarHBondContact NH2-SD 3.23Å; R12-M54 VanDerWaalsContact NH2-SD 3.4Å; R12-M54 WeakPolarHBondContact O-CE 3.31Å; R12-E95 WeakPolarHBondContact CD-OE2 3.34Å; R12-E95 HydrophobicContact CG-CB 4.37Å; R12-E95 IonicContact CZ-OE1 3.89Å; R12-E95 IonicContact CZ-OE2 3.64Å; R12-E95 IonicContact NE-OE2 3.86Å; R12-E95 IonicContact NH1-OE1 2.72Å; R12-E95 PolarHBondContact NH1-OE1 3.16Å; R12-E95 IonicContact NH1-OE2 3.42Å; R12-E95 PolarHBondContact NH1-OE2 3.15Å
13	G	90.6	Very high	90	Very high	26 Å²	26	88 Å²	88	27%	0.268	41%	0.409	S	S	.	.			trans	91.9	-163.9	-174.7	0	0	0	0	0	113.6	E11 E95	E11-G13 PolarHBondContact OE1-N 2.82Å; G13-E95 WeakPolarHBondContact O-CA 3.04Å
14	H	95.1	Very high	90.1	Very high	86 Å²	86	86.2 Å²	86.2	40%	0.398	41%	0.409	S	S	.	.			trans	-124.4	154	-173.8	-57.7	-27.6	0	0	0	109.9	M54 I55 R96	H14-M54 WeakPolarHBondContact O-CE 3.43Å; H14-I55 HydrophobicContact CB-CD1 4.09Å; H14-I55 PolarHBondContact O-N 2.84Å; H14-R96 WeakPolarHBondContact CA-O 3.3Å; H14-R96 WeakPolarHBondContact CB-O 3.26Å
15	A	95.3	Very high	89.9	Confident	6 Å²	6	81.7 Å²	81.7	5%	0.05	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.8	-176.5	0	0	0	0	0	111.5	G53 M54 R96 S97 S98	A15-G53 CarbonylContact C-O 3.53Å; A15-G53 VanDerWaalsContact CA-O 3.24Å; A15-G53 WeakPolarHBondContact CA-O 3.34Å; A15-M54 HydrophobicContact CB-SD 4.26Å; A15-R96 PolarHBondContact N-O 2.85Å; A15-S97 CarbonylContact O-C 3.46Å; A15-S97 WeakPolarHBondContact O-CA 3.47Å; A15-S98 PolarHBondContact O-N 3.3Å
16	A	97.3	Very high	89.4	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.2	161.7	0	0	0	0	0	108.3	A52 G53 I55 V61 V64	A16-A52 VanDerWaalsContact O-CA 3.29Å; A16-A52 WeakPolarHBondContact O-CA 3.22Å; A16-G53 PolarHBondContact N-O 2.9Å; A16-G53 PolarHBondContact O-N 3.43Å; A16-I55 HydrophobicContact CB-CD1 4.32Å; A16-I55 HydrophobicContact CB-CG1 4.04Å; A16-V61 HydrophobicContact CB-CB 4.47Å; A16-V61 HydrophobicContact CB-CG1 3.77Å; A16-V61 WeakPolarHBondContact CB-O 3.31Å; A16-V64 HydrophobicContact CB-CB 3.71Å; A16-V64 HydrophobicContact CB-CG1 3.72Å
17	V	96.9	Very high	89.2	Confident	13 Å²	13	69.7 Å²	69.7	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.3	-179.1	-175.4	0	0	0	0	108.2	M50 V51 A52 S98 I99 M100	V17-M50 HydrophobicContact CG1-CB 3.57Å; V17-M50 HydrophobicContact CG1-CE 3.69Å; V17-M50 HydrophobicContact CG1-CG 4.42Å; V17-M50 HydrophobicContact CG1-SD 4.06Å; V17-V51 CarbonylContact C-O 3.45Å; V17-V51 WeakPolarHBondContact CA-O 3.26Å; V17-A52 HydrophobicContact CB-CB 4.31Å; V17-A52 HydrophobicContact CG1-CB 4.18Å; V17-A52 HydrophobicContact CG2-CB 3.92Å; V17-S98 PolarHBondContact N-O 3.09Å; V17-I99 HydrophobicContact CB-CD1 3.4Å; V17-I99 HydrophobicContact CG1-CD1 3.74Å; V17-I99 HydrophobicContact CG2-CD1 3.61Å; V17-I99 CarbonylContact O-C 3.48Å; V17-I99 WeakPolarHBondContact O-CA 3.45Å; V17-M100 PolarHBondContact O-N 3.26Å
18	L	97.1	Very high	89.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.9	-180	-173.4	72.2	0	0	0	110.2	P20 M50 V51 A65 A69 V77 M100	L18-P20 HydrophobicContact CD2-CG 4.42Å; L18-P20 VanDerWaalsContact O-CD 3.26Å; L18-P20 WeakPolarHBondContact O-CD 3.41Å; L18-M50 WeakPolarHBondContact O-CB 3.23Å; L18-V51 HydrophobicContact CB-CB 4.29Å; L18-V51 HydrophobicContact CB-CG1 4.44Å; L18-V51 PolarHBondContact N-O 3.12Å; L18-V51 PolarHBondContact O-N 3.4Å; L18-A65 HydrophobicContact CB-CB 4.12Å; L18-A65 HydrophobicContact CD1-CB 4.28Å; L18-A69 HydrophobicContact CD2-CB 3.73Å; L18-V77 HydrophobicContact CD2-CG1 4.25Å; L18-V77 HydrophobicContact CD2-CG2 3.47Å; L18-V77 VanDerWaalsContact CD2-CG2 3.47Å; L18-M100 CarbonylContact C-O 3.55Å; L18-M100 WeakPolarHBondContact CA-O 3.39Å; L18-M100 HydrophobicContact CD1-CB 4.09Å
19	L	94.2	Very high	89.5	Confident	38 Å²	38	51.6 Å²	51.6	20%	0.199	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	102.8	160.1	-177.3	62.5	0	0	0	108.5	F21 V28 L30 M50 M100 V101 G102	L19-F21 PolarHBondContact O-N 3.3Å; L19-V28 HydrophobicContact CD1-CB 3.96Å; L19-V28 HydrophobicContact CD1-CG1 4.01Å; L19-V28 HydrophobicContact CD2-CG1 4.32Å; L19-V28 HydrophobicContact CG-CG1 4.22Å; L19-L30 HydrophobicContact CD1-CD2 4.44Å; L19-M50 HydrophobicContact CB-SD 3.85Å; L19-M50 HydrophobicContact CD1-CG 4.04Å; L19-M50 HydrophobicContact CD1-SD 4.09Å; L19-M50 HydrophobicContact CG-SD 4.48Å; L19-M100 PolarHBondContact N-O 2.85Å; L19-V101 WeakPolarHBondContact O-CA 3.46Å; L19-V101 WeakPolarHBondContact O-CG2 3.31Å; L19-G102 PolarHBondContact O-N 3.39Å
20	P	94.7	Very high	89.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.7	174.6	-7.3	25.8	0	0	0	109.3	L18 V28 V29 V51 L75 G102 V104	L18-P20 HydrophobicContact CD2-CG 4.42Å; L18-P20 VanDerWaalsContact O-CD 3.26Å; L18-P20 WeakPolarHBondContact O-CD 3.41Å; P20-V28 VanDerWaalsContact O-CA 3.32Å; P20-V28 WeakPolarHBondContact O-CA 3.34Å; P20-V29 HydrophobicContact CB-CB 4.05Å; P20-V29 HydrophobicContact CB-CG2 4.44Å; P20-V29 VanDerWaalsContact CD-O 3.3Å; P20-V29 WeakPolarHBondContact CD-O 3.31Å; P20-V29 HydrophobicContact CG-CB 4.21Å; P20-V29 PolarHBondContact O-N 3.3Å; P20-V51 HydrophobicContact CG-CG2 4.01Å; P20-L75 HydrophobicContact CB-CD1 3.72Å; P20-L75 HydrophobicContact CG-CD1 3.99Å; P20-G102 WeakPolarHBondContact CA-O 3.39Å; P20-V104 HydrophobicContact CB-CB 4.45Å; P20-V104 HydrophobicContact CB-CG1 3.85Å; P20-V104 HydrophobicContact CB-CG2 3.77Å
21	F	92.4	Very high	90	Very high	44 Å²	44	42.6 Å²	42.6	19%	0.193	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129	-176.4	176.1	-115	0	0	0	111	L19 P23 D26 E27 V28 V101 G102 E103 V104	L19-F21 PolarHBondContact O-N 3.3Å; F21-P23 HydrophobicContact CD1-CB 4.31Å; F21-P23 HydrophobicContact CE1-CB 3.81Å; F21-P23 WeakPolarHBondContact O-CD 3.47Å; F21-D26 WeakPolarHBondContact CE2-OD1 3.44Å; F21-D26 WeakPolarHBondContact CZ-OD1 3.24Å; F21-E27 CarbonylContact C-O 3.54Å; F21-E27 WeakPolarHBondContact CA-O 3.45Å; F21-E27 WeakPolarHBondContact CD2-O 3.46Å; F21-V28 HydrophobicContact CD2-CG1 3.98Å; F21-V101 HydrophobicContact CB-CG2 3.87Å; F21-G102 PolarHBondContact N-O 3.16Å; F21-E103 CarbonylContact O-C 3.55Å; F21-E103 VanDerWaalsContact O-CA 3.26Å; F21-E103 WeakPolarHBondContact O-CA 3.44Å; F21-V104 PolarHBondContact O-N 2.72Å
22	D	90.2	Very high	90	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105.8	171.5	-174.8	-27.8	0	0	0	109.3	V24 R25 D26 E27 A106	D22-V24 PolarHBondContact O-N 2.93Å; D22-V24 WeakPolarHBondContact OD1-CA 3.22Å; D22-V24 WeakPolarHBondContact OD1-CB 3.23Å; D22-V24 PolarHBondContact OD1-N 3.08Å; D22-R25 HydrophobicContact CB-CB 4.33Å; D22-R25 PolarHBondContact O-N 3.19Å; D22-R25 PolarHBondContact OD1-N 3.15Å; D22-R25 VanDerWaalsContact OD1-N 3.11Å; D22-R25 IonicContact OD2-CZ 3.32Å; D22-R25 IonicContact OD2-NH1 2.73Å; D22-R25 PolarHBondContact OD2-NH1 2.9Å; D22-D26 WeakPolarHBondContact O-CA 3.31Å; D22-D26 PolarHBondContact O-N 3.14Å; D22-E27 PolarHBondContact N-O 3.03Å; D22-E27 PolarHBondContact O-N 3.36Å; D22-A106 HydrophobicContact CB-CB 3.63Å; D22-A106 PolarHBondContact OD2-N 2.88Å
23	P	85.5	Confident	90.1	Very high	65 Å²	65	33.2 Å²	33.2	42%	0.422	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.2	-177.8	31	-36.9	0	0	0	113.7	F21 E103	F21-P23 HydrophobicContact CD1-CB 4.31Å; F21-P23 HydrophobicContact CE1-CB 3.81Å; F21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-E103 HydrophobicContact CG-CG 4.21Å
24	V	84.8	Confident	90	Very high	132 Å²	132	36 Å²	36	80%	0.8	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-39.1	177.5	-179	0	0	0	0	110.2	D22	D22-V24 PolarHBondContact O-N 2.93Å; D22-V24 WeakPolarHBondContact OD1-CA 3.22Å; D22-V24 WeakPolarHBondContact OD1-CB 3.23Å; D22-V24 PolarHBondContact OD1-N 3.08Å
25	R	80.6	Confident	89.7	Confident	99 Å²	99	36.5 Å²	36.5	37%	0.374	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-11.5	-179.4	-62.4	-172.5	176.2	91.4	1.6	114.3	D22 E27 D105 T107	D22-R25 HydrophobicContact CB-CB 4.33Å; D22-R25 PolarHBondContact O-N 3.19Å; D22-R25 PolarHBondContact OD1-N 3.15Å; D22-R25 VanDerWaalsContact OD1-N 3.11Å; D22-R25 IonicContact OD2-CZ 3.32Å; D22-R25 IonicContact OD2-NH1 2.73Å; D22-R25 PolarHBondContact OD2-NH1 2.9Å; R25-E27 HydrophobicContact CB-CB 4.22Å; R25-E27 HydrophobicContact CB-CG 3.85Å; R25-E27 WeakPolarHBondContact CD-OE2 3.29Å; R25-E27 PolarHBondContact O-N 3.42Å; R25-D105 IonicContact CZ-OD1 3.22Å; R25-D105 IonicContact NH1-OD1 3.51Å; R25-D105 PolarHBondContact NH1-OD1 2.83Å; R25-T107 PolarHBondContact NH1-OG1 2.81Å; R25-T107 PolarHBondContact NH2-OG1 2.86Å; R25-T107 VanDerWaalsContact NH2-OG1 3.11Å
26	D	76.3	Confident	89.3	Confident	54 Å²	54	42.8 Å²	42.8	29%	0.289	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	41.7	-171.8	-159.7	32	0	0	0	111.7	F21 D22 T129	F21-D26 WeakPolarHBondContact CE2-OD1 3.44Å; F21-D26 WeakPolarHBondContact CZ-OD1 3.24Å; D22-D26 WeakPolarHBondContact O-CA 3.31Å; D22-D26 PolarHBondContact O-N 3.14Å; D26-T129 HydrophobicContact CB-CG2 4.19Å; D26-T129 WeakPolarHBondContact O-CA 3.31Å; D26-T129 WeakPolarHBondContact O-CB 3.04Å; D26-T129 WeakPolarHBondContact O-CG2 3.35Å
27	E	83.2	Confident	88.7	Confident	40 Å²	40	47.1 Å²	47.1	19%	0.187	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.8	-176.9	-71.7	178.7	148.3	0	0	110.4	F21 D22 R25 A106	F21-E27 CarbonylContact C-O 3.54Å; F21-E27 WeakPolarHBondContact CA-O 3.45Å; F21-E27 WeakPolarHBondContact CD2-O 3.46Å; D22-E27 PolarHBondContact N-O 3.03Å; D22-E27 PolarHBondContact O-N 3.36Å; R25-E27 HydrophobicContact CB-CB 4.22Å; R25-E27 HydrophobicContact CB-CG 3.85Å; R25-E27 WeakPolarHBondContact CD-OE2 3.29Å; R25-E27 PolarHBondContact O-N 3.42Å; E27-A106 HydrophobicContact CB-CB 4.34Å
28	V	89.2	Confident	87.9	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	145	163.2	-58.5	0	0	0	0	110.2	L19 P20 F21 Y128 P130 F132	L19-V28 HydrophobicContact CD1-CB 3.96Å; L19-V28 HydrophobicContact CD1-CG1 4.01Å; L19-V28 HydrophobicContact CD2-CG1 4.32Å; L19-V28 HydrophobicContact CG-CG1 4.22Å; P20-V28 VanDerWaalsContact O-CA 3.32Å; P20-V28 WeakPolarHBondContact O-CA 3.34Å; F21-V28 HydrophobicContact CD2-CG1 3.98Å; V28-Y128 HydrophobicContact CG2-CD1 3.86Å; V28-Y128 HydrophobicContact CG2-CG 4.3Å; V28-Y128 WeakPolarHBondContact CG2-O 3.28Å; V28-Y128 PolarHBondContact N-O 3.47Å; V28-P130 HydrophobicContact CG1-CG 4.13Å; V28-P130 HydrophobicContact CG2-CG 4.46Å; V28-F132 HydrophobicContact CG1-CE2 4.13Å; V28-F132 HydrophobicContact CG1-CZ 4.46Å
29	V	89.7	Confident	87.2	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128	172.3	-174.7	0	0	0	0	108.4	P20 L75 V104 A106 A109 V124	P20-V29 HydrophobicContact CB-CB 4.05Å; P20-V29 HydrophobicContact CB-CG2 4.44Å; P20-V29 VanDerWaalsContact CD-O 3.3Å; P20-V29 WeakPolarHBondContact CD-O 3.31Å; P20-V29 HydrophobicContact CG-CB 4.21Å; P20-V29 PolarHBondContact O-N 3.3Å; V29-L75 HydrophobicContact CB-CD1 4.1Å; V29-L75 HydrophobicContact CG1-CD1 4.06Å; V29-L75 HydrophobicContact CG2-CD1 4.14Å; V29-V104 HydrophobicContact CG2-CG2 4.32Å; V29-A106 HydrophobicContact CG2-CB 4.13Å; V29-A109 HydrophobicContact CB-CB 4.39Å; V29-A109 HydrophobicContact CG1-CB 3.67Å; V29-A109 HydrophobicContact CG2-CB 3.78Å; V29-V124 HydrophobicContact CG1-CG1 3.53Å
30	L	91.5	Very high	86.5	Confident	40 Å²	40	59.7 Å²	59.7	21%	0.209	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.2	171.5	-61.7	177.6	0	0	0	108.9	L19 L48 E49 M50 H125	L19-L30 HydrophobicContact CD1-CD2 4.44Å; L30-L48 HydrophobicContact CB-CD2 4.3Å; L30-E49 WeakPolarHBondContact CA-O 3.46Å; L30-M50 HydrophobicContact CD2-CG 4.32Å; L30-H125 PolarHBondContact N-O 3.15Å; L30-H125 CarbonylContact O-C 3.55Å; L30-H125 WeakPolarHBondContact O-CA 3.4Å; L30-H125 PolarHBondContact O-N 2.77Å; L30-H125 VanDerWaalsContact O-O 3.07Å
31	I	90.4	Very high	85.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	156.6	172.2	59.7	170.3	0	0	0	109.8	L48 E49 V51 E72 A73 I122 R123 V124	I31-L48 CarbonylContact O-C 3.53Å; I31-L48 VanDerWaalsContact O-CA 3.31Å; I31-L48 WeakPolarHBondContact O-CA 3.24Å; I31-E49 HydrophobicContact CG1-CB 4.23Å; I31-E49 WeakPolarHBondContact CG1-O 3.29Å; I31-E49 PolarHBondContact N-O 3.04Å; I31-E49 PolarHBondContact O-N 2.89Å; I31-V51 HydrophobicContact CG2-CG2 4.14Å; I31-E72 HydrophobicContact CD1-CB 4.15Å; I31-E72 VanDerWaalsContact CD1-OE2 3.29Å; I31-E72 WeakPolarHBondContact CD1-OE2 3.47Å; I31-A73 HydrophobicContact CG2-CB 4.14Å; I31-I122 HydrophobicContact CB-CG2 3.63Å; I31-I122 HydrophobicContact CD1-CG2 3.87Å; I31-I122 HydrophobicContact CG1-CG2 4.27Å; I31-I122 HydrophobicContact CG2-CG2 3.96Å; I31-R123 CarbonylContact C-O 3.6Å; I31-R123 WeakPolarHBondContact CA-O 3.41Å; I31-V124 HydrophobicContact CG2-CG2 4.3Å
32	E	88.8	Confident	84.6	Confident	32 Å²	32	65.5 Å²	65.5	15%	0.15	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.8	173.9	175.6	-179.2	-126.4	0	0	108.5	W46 L47 L48 R123 H125	E32-W46 HydrophobicContact CG-CB 3.94Å; E32-W46 HydrophobicContact CG-CE3 4.17Å; E32-L47 VanDerWaalsContact CA-O 3.28Å; E32-L47 WeakPolarHBondContact CA-O 3.31Å; E32-L48 HydrophobicContact CB-CD2 4.22Å; E32-R123 HydrophobicContact CB-CB 4.33Å; E32-R123 PolarHBondContact N-O 2.76Å; E32-R123 PolarHBondContact O-N 2.9Å; E32-R123 IonicContact OE2-CZ 2.68Å; E32-R123 IonicContact OE2-NH1 3.83Å; E32-R123 PolarHBondContact OE2-NH1 3.39Å; E32-H125 VanDerWaalsContact CB-CD2 3.4Å; E32-H125 WeakPolarHBondContact CB-CD2 3.48Å; E32-H125 VanDerWaalsContact CB-NE2 3.28Å; E32-H125 WeakPolarHBondContact CB-NE2 3.48Å; E32-H125 IonicContact OE2-CE1 2.99Å; E32-H125 IonicContact OE2-NE2 3.81Å; E32-H125 PolarHBondContact OE2-NE2 3.4Å
33	Q	87.7	Confident	83.8	Confident	14 Å²	14	74.6 Å²	74.6	7%	0.065	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	156.8	179.5	61.3	172.3	-77	0	0	111.1	R35 W46 L47 E49 E72 I122	Q33-R35 VanDerWaalsContact CD-CZ 3.49Å; Q33-R35 VanDerWaalsContact CD-NH2 3.35Å; Q33-R35 VanDerWaalsContact OE1-NH2 3.09Å; Q33-W46 WeakPolarHBondContact O-CA 3.44Å; Q33-L47 PolarHBondContact N-O 2.72Å; Q33-L47 VanDerWaalsContact N-O 3.15Å; Q33-L47 PolarHBondContact O-N 2.92Å; Q33-E49 PolarHBondContact NE2-OE2 3.35Å; Q33-E72 PolarHBondContact NE2-OE1 3.12Å; Q33-I122 HydrophobicContact CB-CG1 4.24Å
34	I	88.5	Confident	83.4	Confident	85 Å²	85	74.4 Å²	74.4	44%	0.436	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.1	179	-171.8	169.9	0	0	0	110.9	P45 W46	I34-P45 WeakPolarHBondContact CA-O 3.34Å; I34-P45 HydrophobicContact CD1-CB 4.4Å; I34-P45 HydrophobicContact CD1-CG 4.17Å; I34-P45 HydrophobicContact CG1-CB 3.97Å; I34-P45 HydrophobicContact CG1-CG 4.17Å; I34-W46 HydrophobicContact CB-CD2 4.23Å; I34-W46 HydrophobicContact CB-CE3 4.24Å; I34-W46 HydrophobicContact CB-CH2 4.39Å; I34-W46 HydrophobicContact CB-CZ2 4.38Å; I34-W46 HydrophobicContact CB-CZ3 4.33Å
35	R	89.1	Confident	83.4	Confident	97 Å²	97	69.2 Å²	69.2	37%	0.366	36%	0.359	S	S	.	.			trans	-112.7	108.1	169.4	-64.2	-56.3	-168.6	-174.5	-1.1	109.7	Q33 A37 A38 P45 L47 E49	Q33-R35 VanDerWaalsContact CD-CZ 3.49Å; Q33-R35 VanDerWaalsContact CD-NH2 3.35Å; Q33-R35 VanDerWaalsContact OE1-NH2 3.09Å; R35-A37 PolarHBondContact O-N 2.87Å; R35-A37 VanDerWaalsContact O-N 3.14Å; R35-A38 HydrophobicContact CB-CB 4.27Å; R35-A38 VanDerWaalsContact O-CB 3.31Å; R35-A38 WeakPolarHBondContact O-CB 3.47Å; R35-A38 PolarHBondContact O-N 2.8Å; R35-P45 PolarHBondContact N-O 3.21Å; R35-L47 HydrophobicContact CB-CD1 3.91Å; R35-L47 HydrophobicContact CB-CG 4.25Å; R35-L47 HydrophobicContact CG-CD1 3.89Å; R35-L47 HydrophobicContact CG-CG 4.26Å; R35-E49 WeakPolarHBondContact CG-OE1 3.34Å; R35-E49 IonicContact CZ-OE1 2.92Å; R35-E49 IonicContact CZ-OE2 3.24Å; R35-E49 VanDerWaalsContact CZ-OE2 3.26Å; R35-E49 IonicContact NE-OE1 3.26Å; R35-E49 PolarHBondContact NE-OE1 2.89Å; R35-E49 IonicContact NE-OE2 2.73Å; R35-E49 PolarHBondContact NE-OE2 3.07Å; R35-E49 IonicContact NH2-OE1 3.06Å; R35-E49 IonicContact NH2-OE2 3.41Å; R35-E49 PolarHBondContact NH2-OE2 2.97Å
36	I	87.6	Confident	83.7	Confident	137 Å²	137	68.8 Å²	68.8	70%	0.703	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-58.1	-33	-176.4	-164.6	62	0	0	0	112.7	A38 Y39	I36-A38 PolarHBondContact O-N 3.26Å; I36-Y39 VanDerWaalsContact O-CB 3.23Å; I36-Y39 WeakPolarHBondContact O-CB 3.22Å; I36-Y39 PolarHBondContact O-N 2.92Å; I36-Y39 VanDerWaalsContact O-N 3.15Å
37	A	84.2	Confident	84	Confident	91 Å²	91	68.8 Å²	68.8	75%	0.752	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-64.1	-19.3	176.8	0	0	0	0	0	113.6	R35	R35-A37 PolarHBondContact O-N 2.87Å; R35-A37 VanDerWaalsContact O-N 3.14Å
38	A	81.1	Confident	84.1	Confident	9 Å²	9	71.9 Å²	71.9	7%	0.074	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-88.7	-8	178.9	0	0	0	0	0	113.3	R35 I36 D40 T41 S42 L47	R35-A38 HydrophobicContact CB-CB 4.27Å; R35-A38 VanDerWaalsContact O-CB 3.31Å; R35-A38 WeakPolarHBondContact O-CB 3.47Å; R35-A38 PolarHBondContact O-N 2.8Å; I36-A38 PolarHBondContact O-N 3.26Å; A38-D40 VanDerWaalsContact C-N 3.31Å; A38-D40 PolarHBondContact O-N 2.94Å; A38-T41 PolarHBondContact O-N 3.49Å; A38-S42 WeakPolarHBondContact O-CB 3.46Å; A38-S42 PolarHBondContact O-N 2.98Å; A38-S42 PolarHBondContact O-OG 2.99Å; A38-L47 HydrophobicContact CB-CD1 3.87Å; A38-L47 HydrophobicContact CB-CD2 4.05Å; A38-L47 HydrophobicContact CB-CG 4.13Å
39	Y	81.4	Confident	84.1	Confident	158 Å²	158	73.5 Å²	73.5	62%	0.62	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-41.4	-174.8	-175.5	-95.9	0	0	0	113.2	I36 P45	I36-Y39 VanDerWaalsContact O-CB 3.23Å; I36-Y39 WeakPolarHBondContact O-CB 3.22Å; I36-Y39 PolarHBondContact O-N 2.92Å; I36-Y39 VanDerWaalsContact O-N 3.15Å; Y39-P45 HydrophobicContact CD2-CB 4.35Å; Y39-P45 HydrophobicContact CD2-CG 4.25Å
40	D	79.5	Confident	84.2	Confident	148 Å²	148	76.5 Å²	76.5	79%	0.791	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-20.5	-176.4	-68.8	-30	0	0	0	113.6	A38	A38-D40 VanDerWaalsContact C-N 3.31Å; A38-D40 PolarHBondContact O-N 2.94Å
41	T	78.2	Confident	84.3	Confident	118 Å²	118	74.6 Å²	74.6	72%	0.724	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-3.7	-168.1	64.6	0	0	0	0	114.3	A38	A38-T41 PolarHBondContact O-N 3.49Å
42	S	69.1	Low	84.6	Confident	48 Å²	48	75.8 Å²	75.8	34%	0.336	40%	0.396	S	S	.	.	S	Bend	trans	-124.4	149.9	-177.4	-51.4	0	0	0	0	110.4	A38 T44	A38-S42 WeakPolarHBondContact O-CB 3.46Å; A38-S42 PolarHBondContact O-N 2.98Å; A38-S42 PolarHBondContact O-OG 2.99Å; S42-T44 WeakPolarHBondContact CB-O 3.02Å; S42-T44 PolarHBondContact O-N 3.03Å
43	E	73.2	Confident	84.8	Confident	194 Å²	194	74.6 Å²	74.6	91%	0.907	39%	0.393	S	S	*	.	S	Bend	trans	-57.7	-29.5	174.3	-66.1	178.7	163.4	0	0	112.4
44	T	76.7	Confident	85.1	Confident	61 Å²	61	76.7 Å²	76.7	37%	0.374	40%	0.403	S	S	.	.			trans	-141.8	141.5	174.4	172.5	0	0	0	0	109.4	S42 W46	S42-T44 WeakPolarHBondContact CB-O 3.02Å; S42-T44 PolarHBondContact O-N 3.03Å; T44-W46 WeakPolarHBondContact CG2-O 3.39Å; T44-W46 PolarHBondContact O-N 2.78Å; T44-W46 WeakPolarHBondContact OG1-CB 3.19Å; T44-W46 PolarHBondContact OG1-N 3.24Å; T44-W46 VanDerWaalsContact OG1-N 3.12Å
45	P	84.6	Confident	85.4	Confident	23 Å²	23	74.8 Å²	74.8	15%	0.149	39%	0.393	C	S	.	.	S	Bend	trans	-74.7	-8.9	172.5	34.3	-37.8	0	0	0	112.4	I34 R35 Y39 L47	I34-P45 WeakPolarHBondContact CA-O 3.34Å; I34-P45 HydrophobicContact CD1-CB 4.4Å; I34-P45 HydrophobicContact CD1-CG 4.17Å; I34-P45 HydrophobicContact CG1-CB 3.97Å; I34-P45 HydrophobicContact CG1-CG 4.17Å; R35-P45 PolarHBondContact N-O 3.21Å; Y39-P45 HydrophobicContact CD2-CB 4.35Å; Y39-P45 HydrophobicContact CD2-CG 4.25Å; P45-L47 PolarHBondContact O-N 3Å
46	W	87	Confident	85.6	Confident	91 Å²	91	76.6 Å²	76.6	35%	0.345	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	109.8	173.5	-63.4	89.4	0	0	0	109.6	E32 Q33 I34 T44 D121	E32-W46 HydrophobicContact CG-CB 3.94Å; E32-W46 HydrophobicContact CG-CE3 4.17Å; Q33-W46 WeakPolarHBondContact O-CA 3.44Å; I34-W46 HydrophobicContact CB-CD2 4.23Å; I34-W46 HydrophobicContact CB-CE3 4.24Å; I34-W46 HydrophobicContact CB-CH2 4.39Å; I34-W46 HydrophobicContact CB-CZ2 4.38Å; I34-W46 HydrophobicContact CB-CZ3 4.33Å; T44-W46 WeakPolarHBondContact CG2-O 3.39Å; T44-W46 PolarHBondContact O-N 2.78Å; T44-W46 WeakPolarHBondContact OG1-CB 3.19Å; T44-W46 PolarHBondContact OG1-N 3.24Å; T44-W46 VanDerWaalsContact OG1-N 3.12Å; W46-D121 HydrophobicContact CH2-CB 3.87Å; W46-D121 HydrophobicContact CZ3-CB 4.25Å; W46-D121 WeakPolarHBondContact CZ3-O 3.29Å
47	L	83	Confident	85.8	Confident	54 Å²	54	80 Å²	80	28%	0.283	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.3	-176	-57.8	-169.2	0	0	0	110.7	E32 Q33 R35 A38 P45 E49	E32-L47 VanDerWaalsContact CA-O 3.28Å; E32-L47 WeakPolarHBondContact CA-O 3.31Å; Q33-L47 PolarHBondContact N-O 2.72Å; Q33-L47 VanDerWaalsContact N-O 3.15Å; Q33-L47 PolarHBondContact O-N 2.92Å; R35-L47 HydrophobicContact CB-CD1 3.91Å; R35-L47 HydrophobicContact CB-CG 4.25Å; R35-L47 HydrophobicContact CG-CD1 3.89Å; R35-L47 HydrophobicContact CG-CG 4.26Å; A38-L47 HydrophobicContact CB-CD1 3.87Å; A38-L47 HydrophobicContact CB-CD2 4.05Å; A38-L47 HydrophobicContact CB-CG 4.13Å; P45-L47 PolarHBondContact O-N 3Å; L47-E49 HydrophobicContact CB-CG 4.17Å
48	L	85.5	Confident	86.2	Confident	104 Å²	104	79.5 Å²	79.5	55%	0.545	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.9	166.5	-76	169.5	0	0	0	109.8	L30 I31 E32 H125	L30-L48 HydrophobicContact CB-CD2 4.3Å; I31-L48 CarbonylContact O-C 3.53Å; I31-L48 VanDerWaalsContact O-CA 3.31Å; I31-L48 WeakPolarHBondContact O-CA 3.24Å; E32-L48 HydrophobicContact CB-CD2 4.22Å; L48-H125 HydrophobicContact CD2-CB 4.24Å
49	E	88.9	Confident	86.9	Confident	39 Å²	39	81.5 Å²	81.5	18%	0.182	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.2	-173	-61.6	-172.4	-177.9	0	0	111.6	L30 I31 Q33 R35 L47	L30-E49 WeakPolarHBondContact CA-O 3.46Å; I31-E49 HydrophobicContact CG1-CB 4.23Å; I31-E49 WeakPolarHBondContact CG1-O 3.29Å; I31-E49 PolarHBondContact N-O 3.04Å; I31-E49 PolarHBondContact O-N 2.89Å; Q33-E49 PolarHBondContact NE2-OE2 3.35Å; R35-E49 WeakPolarHBondContact CG-OE1 3.34Å; R35-E49 IonicContact CZ-OE1 2.92Å; R35-E49 IonicContact CZ-OE2 3.24Å; R35-E49 VanDerWaalsContact CZ-OE2 3.26Å; R35-E49 IonicContact NE-OE1 3.26Å; R35-E49 PolarHBondContact NE-OE1 2.89Å; R35-E49 IonicContact NE-OE2 2.73Å; R35-E49 PolarHBondContact NE-OE2 3.07Å; R35-E49 IonicContact NH2-OE1 3.06Å; R35-E49 IonicContact NH2-OE2 3.41Å; R35-E49 PolarHBondContact NH2-OE2 2.97Å; L47-E49 HydrophobicContact CB-CG 4.17Å
50	M	92.7	Very high	87.6	Confident	63 Å²	63	76.5 Å²	76.5	31%	0.31	42%	0.419	S	S	.	.			trans	-79.6	158.2	163.3	-73.7	-178.8	-71.5	0	0	109.1	V17 L18 L19 L30 A52 I99	V17-M50 HydrophobicContact CG1-CB 3.57Å; V17-M50 HydrophobicContact CG1-CE 3.69Å; V17-M50 HydrophobicContact CG1-CG 4.42Å; V17-M50 HydrophobicContact CG1-SD 4.06Å; L18-M50 WeakPolarHBondContact O-CB 3.23Å; L19-M50 HydrophobicContact CB-SD 3.85Å; L19-M50 HydrophobicContact CD1-CG 4.04Å; L19-M50 HydrophobicContact CD1-SD 4.09Å; L19-M50 HydrophobicContact CG-SD 4.48Å; L30-M50 HydrophobicContact CD2-CG 4.32Å; M50-A52 PolarHBondContact O-N 2.85Å; M50-I99 HydrophobicContact CE-CD1 4.31Å; M50-I99 HydrophobicContact CE-CG2 4.44Å; M50-I99 HydrophobicContact SD-CG2 4.37Å
51	V	94.3	Very high	88.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.6	171.4	169.5	0	0	0	0	108.8	V17 L18 P20 I31 E68 A69 E72 A73	V17-V51 CarbonylContact C-O 3.45Å; V17-V51 WeakPolarHBondContact CA-O 3.26Å; L18-V51 HydrophobicContact CB-CB 4.29Å; L18-V51 HydrophobicContact CB-CG1 4.44Å; L18-V51 PolarHBondContact N-O 3.12Å; L18-V51 PolarHBondContact O-N 3.4Å; P20-V51 HydrophobicContact CG-CG2 4.01Å; I31-V51 HydrophobicContact CG2-CG2 4.14Å; V51-E68 VanDerWaalsContact CG1-C 3.46Å; V51-E68 HydrophobicContact CG1-CB 3.67Å; V51-A69 HydrophobicContact CG1-CB 4.26Å; V51-E72 WeakPolarHBondContact CA-OE2 3.36Å; V51-E72 WeakPolarHBondContact CG1-OE2 3.32Å; V51-A73 HydrophobicContact CG2-CB 4Å
52	A	94.8	Very high	89.3	Confident	25 Å²	25	69.1 Å²	69.1	21%	0.207	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	141.2	-174.8	0	0	0	0	0	113.1	A16 V17 M50 E72	A16-A52 VanDerWaalsContact O-CA 3.29Å; A16-A52 WeakPolarHBondContact O-CA 3.22Å; V17-A52 HydrophobicContact CB-CB 4.31Å; V17-A52 HydrophobicContact CG1-CB 4.18Å; V17-A52 HydrophobicContact CG2-CB 3.92Å; M50-A52 PolarHBondContact O-N 2.85Å; A52-E72 PolarHBondContact N-OE2 2.87Å
53	G	93.5	Very high	90.6	Very high	8 Å²	8	70.9 Å²	70.9	8%	0.082	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	161.8	176.1	0	0	0	0	0	113.5	A15 A16 E68	A15-G53 CarbonylContact C-O 3.53Å; A15-G53 VanDerWaalsContact CA-O 3.24Å; A15-G53 WeakPolarHBondContact CA-O 3.34Å; A16-G53 PolarHBondContact N-O 2.9Å; A16-G53 PolarHBondContact O-N 3.43Å; G53-E68 VanDerWaalsContact CA-OE1 3.31Å; G53-E68 WeakPolarHBondContact CA-OE1 3.38Å
54	M	94.5	Very high	91.7	Very high	58 Å²	58	61.7 Å²	61.7	29%	0.286	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	138.6	175.7	-60.7	-56.3	-58.8	0	0	109.9	R12 H14 A15 E56	R12-M54 PolarHBondContact NH2-SD 3.23Å; R12-M54 VanDerWaalsContact NH2-SD 3.4Å; R12-M54 WeakPolarHBondContact O-CE 3.31Å; H14-M54 WeakPolarHBondContact O-CE 3.43Å; A15-M54 HydrophobicContact CB-SD 4.26Å; M54-E56 PolarHBondContact O-N 3.06Å
55	I	95.1	Very high	92.6	Very high	44 Å²	44	58.9 Å²	58.9	23%	0.226	32%	0.32	C	S	.	.			trans	-83.3	114.3	178.4	-55.4	168.6	0	0	0	108.6	H14 A16 E59 V61 V64	H14-I55 HydrophobicContact CB-CD1 4.09Å; H14-I55 PolarHBondContact O-N 2.84Å; A16-I55 HydrophobicContact CB-CD1 4.32Å; A16-I55 HydrophobicContact CB-CG1 4.04Å; I55-E59 HydrophobicContact CG2-CB 4.37Å; I55-V61 HydrophobicContact CD1-CG2 3.89Å; I55-V64 HydrophobicContact CB-CG2 4.26Å; I55-V64 HydrophobicContact CG1-CG2 4.08Å; I55-V64 HydrophobicContact CG2-CG2 4.2Å
56	E	92.8	Very high	93.2	Very high	136 Å²	136	61.3 Å²	61.3	64%	0.636	33%	0.326	S	S	*	.			trans	-82.8	170.2	175.4	-56.6	-167.6	157.6	0	0	112.5	M54 G58 E59	M54-E56 PolarHBondContact O-N 3.06Å; E56-G58 PolarHBondContact O-N 3.46Å; E56-G58 VanDerWaalsContact O-N 3.15Å; E56-E59 HydrophobicContact CB-CG 4.29Å; E56-E59 VanDerWaalsContact CB-OE2 3.27Å; E56-E59 WeakPolarHBondContact CB-OE2 3.22Å; E56-E59 WeakPolarHBondContact CG-OE2 3.4Å; E56-E59 PolarHBondContact N-OE2 2.85Å; E56-E59 PolarHBondContact O-N 2.68Å
57	E	91.5	Very high	93.7	Very high	207 Å²	207	60 Å²	60	97%	0.967	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	117.4	-179	-170.6	175.5	-177.3	0	0	111.2
58	G	93.2	Very high	94.3	Very high	82 Å²	82	58.3 Å²	58.3	85%	0.845	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-7.5	177.7	0	0	0	0	0	114.9	E56	E56-G58 PolarHBondContact O-N 3.46Å; E56-G58 VanDerWaalsContact O-N 3.15Å
59	E	95.6	Very high	94.8	Very high	51 Å²	51	53.3 Å²	53.3	24%	0.238	29%	0.286	C	S	.	.			trans	-80.3	142.7	173.2	-63.3	-173.9	116.5	0	0	111.3	I55 E56 V64 R67	I55-E59 HydrophobicContact CG2-CB 4.37Å; E56-E59 HydrophobicContact CB-CG 4.29Å; E56-E59 VanDerWaalsContact CB-OE2 3.27Å; E56-E59 WeakPolarHBondContact CB-OE2 3.22Å; E56-E59 WeakPolarHBondContact CG-OE2 3.4Å; E56-E59 PolarHBondContact N-OE2 2.85Å; E56-E59 PolarHBondContact O-N 2.68Å; E59-V64 HydrophobicContact CB-CG2 3.67Å; E59-V64 HydrophobicContact CG-CG2 4.33Å; E59-V64 WeakPolarHBondContact OE2-CG2 3.42Å; E59-R67 IonicContact OE1-CZ 2.93Å; E59-R67 IonicContact OE1-NE 3.72Å; E59-R67 PolarHBondContact OE1-NE 3.03Å; E59-R67 VanDerWaalsContact OE1-NE 3.08Å; E59-R67 IonicContact OE1-NH2 3.36Å; E59-R67 PolarHBondContact OE1-NH2 3.44Å; E59-R67 IonicContact OE2-NH2 3.08Å; E59-R67 PolarHBondContact OE2-NH2 2.88Å
60	S	96.1	Very high	95.1	Very high	52 Å²	52	56.2 Å²	56.2	36%	0.364	30%	0.301	S	S	.	.			trans	-84.3	158.6	165.4	78.3	0	0	0	0	110.8	E62 D63 V64	S60-E62 PolarHBondContact O-N 3.4Å; S60-E62 VanDerWaalsContact O-N 3.16Å; S60-E62 PolarHBondContact OG-N 2.87Å; S60-D63 VanDerWaalsContact CB-OD2 3.26Å; S60-D63 WeakPolarHBondContact CB-OD2 3.42Å; S60-D63 PolarHBondContact N-OD2 3.14Å; S60-D63 VanDerWaalsContact N-OD2 3.16Å; S60-D63 PolarHBondContact O-N 3.08Å; S60-D63 PolarHBondContact OG-N 3.46Å; S60-D63 VanDerWaalsContact OG-N 3.15Å; S60-D63 PolarHBondContact OG-OD2 3.24Å; S60-V64 WeakPolarHBondContact O-CG2 3.38Å; S60-V64 PolarHBondContact O-N 3.15Å; S60-V64 VanDerWaalsContact O-N 3.14Å
61	V	95.7	Very high	95.1	Very high	45 Å²	45	55.7 Å²	55.7	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-52.6	-38.2	173.9	179.4	0	0	0	0	111.3	A16 I55 A65 M100	A16-V61 HydrophobicContact CB-CB 4.47Å; A16-V61 HydrophobicContact CB-CG1 3.77Å; A16-V61 WeakPolarHBondContact CB-O 3.31Å; I55-V61 HydrophobicContact CD1-CG2 3.89Å; V61-A65 VanDerWaalsContact O-CB 3.32Å; V61-A65 WeakPolarHBondContact O-CB 3.28Å; V61-A65 PolarHBondContact O-N 3.05Å; V61-A65 VanDerWaalsContact O-N 3.08Å; V61-M100 HydrophobicContact CB-SD 4.46Å; V61-M100 HydrophobicContact CG1-CG 4.14Å; V61-M100 HydrophobicContact CG1-SD 3.77Å
62	E	96.7	Very high	95.1	Very high	67 Å²	67	55.9 Å²	55.9	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-72.5	-37.1	-179.8	-176	171.9	-177.5	0	0	112.4	S60 A65 R66 T80 M100	S60-E62 PolarHBondContact O-N 3.4Å; S60-E62 VanDerWaalsContact O-N 3.16Å; S60-E62 PolarHBondContact OG-N 2.87Å; E62-A65 PolarHBondContact O-N 2.6Å; E62-R66 VanDerWaalsContact O-CG 3.23Å; E62-R66 WeakPolarHBondContact O-CG 3.26Å; E62-R66 PolarHBondContact O-N 2.95Å; E62-R66 IonicContact OE1-CZ 2.85Å; E62-R66 VanDerWaalsContact OE1-CZ 3.32Å; E62-R66 IonicContact OE1-NE 3.85Å; E62-R66 PolarHBondContact OE1-NE 3.16Å; E62-R66 VanDerWaalsContact OE1-NE 3.08Å; E62-R66 IonicContact OE1-NH2 3.95Å; E62-R66 PolarHBondContact OE1-NH2 2.96Å; E62-T80 HydrophobicContact CG-CG2 4.3Å; E62-T80 PolarHBondContact OE1-OG1 3.4Å; E62-M100 HydrophobicContact CB-CE 4.22Å; E62-M100 HydrophobicContact CB-SD 4.17Å; E62-M100 HydrophobicContact CG-CE 4.38Å
63	D	96.9	Very high	95	Very high	85 Å²	85	54.7 Å²	54.7	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-46.3	177.9	-62	-44.1	0	0	0	110.8	S60 R66 R67	S60-D63 VanDerWaalsContact CB-OD2 3.26Å; S60-D63 WeakPolarHBondContact CB-OD2 3.42Å; S60-D63 PolarHBondContact N-OD2 3.14Å; S60-D63 VanDerWaalsContact N-OD2 3.16Å; S60-D63 PolarHBondContact O-N 3.08Å; S60-D63 PolarHBondContact OG-N 3.46Å; S60-D63 VanDerWaalsContact OG-N 3.15Å; S60-D63 PolarHBondContact OG-OD2 3.24Å; D63-R66 PolarHBondContact O-N 3.11Å; D63-R67 PolarHBondContact O-N 2.89Å
64	V	96.9	Very high	95	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-51	176.4	-178.7	0	0	0	0	110.2	A16 I55 E59 S60 R66 R67 E68	A16-V64 HydrophobicContact CB-CB 3.71Å; A16-V64 HydrophobicContact CB-CG1 3.72Å; I55-V64 HydrophobicContact CB-CG2 4.26Å; I55-V64 HydrophobicContact CG1-CG2 4.08Å; I55-V64 HydrophobicContact CG2-CG2 4.2Å; E59-V64 HydrophobicContact CB-CG2 3.67Å; E59-V64 HydrophobicContact CG-CG2 4.33Å; E59-V64 WeakPolarHBondContact OE2-CG2 3.42Å; S60-V64 WeakPolarHBondContact O-CG2 3.38Å; S60-V64 PolarHBondContact O-N 3.15Å; S60-V64 VanDerWaalsContact O-N 3.14Å; V64-R66 PolarHBondContact O-N 3.06Å; V64-R66 VanDerWaalsContact O-N 3.11Å; V64-R67 PolarHBondContact O-N 3.49Å; V64-R67 VanDerWaalsContact O-N 3.07Å; V64-E68 HydrophobicContact CG1-CG 3.88Å; V64-E68 WeakPolarHBondContact O-CB 3.4Å; V64-E68 VanDerWaalsContact O-CG 3.24Å; V64-E68 WeakPolarHBondContact O-CG 3.28Å; V64-E68 PolarHBondContact O-N 3.34Å
65	A	96.4	Very high	95	Very high	2 Å²	2	53.1 Å²	53.1	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-55.9	-33.9	179.1	0	0	0	0	0	113.1	L18 V61 E62 A69	L18-A65 HydrophobicContact CB-CB 4.12Å; L18-A65 HydrophobicContact CD1-CB 4.28Å; V61-A65 VanDerWaalsContact O-CB 3.32Å; V61-A65 WeakPolarHBondContact O-CB 3.28Å; V61-A65 PolarHBondContact O-N 3.05Å; V61-A65 VanDerWaalsContact O-N 3.08Å; E62-A65 PolarHBondContact O-N 2.6Å; A65-A69 VanDerWaalsContact O-CB 3.26Å; A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-A69 PolarHBondContact O-N 3Å
66	R	97.3	Very high	95.1	Very high	75 Å²	75	57.5 Å²	57.5	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-75.9	-40.8	176.8	-71.9	172.1	178	-69.9	-3.2	112.6	E62 D63 V64 I70 V77 K78	E62-R66 VanDerWaalsContact O-CG 3.23Å; E62-R66 WeakPolarHBondContact O-CG 3.26Å; E62-R66 PolarHBondContact O-N 2.95Å; E62-R66 IonicContact OE1-CZ 2.85Å; E62-R66 VanDerWaalsContact OE1-CZ 3.32Å; E62-R66 IonicContact OE1-NE 3.85Å; E62-R66 PolarHBondContact OE1-NE 3.16Å; E62-R66 VanDerWaalsContact OE1-NE 3.08Å; E62-R66 IonicContact OE1-NH2 3.95Å; E62-R66 PolarHBondContact OE1-NH2 2.96Å; D63-R66 PolarHBondContact O-N 3.11Å; V64-R66 PolarHBondContact O-N 3.06Å; V64-R66 VanDerWaalsContact O-N 3.11Å; R66-I70 WeakPolarHBondContact O-CG1 3.44Å; R66-I70 PolarHBondContact O-N 2.97Å; R66-V77 HydrophobicContact CG-CB 4.25Å; R66-V77 PolarHBondContact NH1-O 3.22Å; R66-K78 PolarHBondContact NH1-O 3.24Å; R66-K78 PolarHBondContact NH2-O 3.26Å
67	R	96.1	Very high	95.3	Very high	64 Å²	64	51.6 Å²	51.6	24%	0.242	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-52	177	178.8	174	55.4	65	-1.2	110.6	E59 D63 V64 A69 I70 E71	E59-R67 IonicContact OE1-CZ 2.93Å; E59-R67 IonicContact OE1-NE 3.72Å; E59-R67 PolarHBondContact OE1-NE 3.03Å; E59-R67 VanDerWaalsContact OE1-NE 3.08Å; E59-R67 IonicContact OE1-NH2 3.36Å; E59-R67 PolarHBondContact OE1-NH2 3.44Å; E59-R67 IonicContact OE2-NH2 3.08Å; E59-R67 PolarHBondContact OE2-NH2 2.88Å; D63-R67 PolarHBondContact O-N 2.89Å; V64-R67 PolarHBondContact O-N 3.49Å; V64-R67 VanDerWaalsContact O-N 3.07Å; R67-A69 VanDerWaalsContact C-N 3.33Å; R67-A69 PolarHBondContact O-N 3.16Å; R67-I70 WeakPolarHBondContact O-CB 3.4Å; R67-I70 PolarHBondContact O-N 2.86Å; R67-E71 HydrophobicContact CG-CG 4.48Å; R67-E71 VanDerWaalsContact CG-OE1 3.22Å; R67-E71 WeakPolarHBondContact CG-OE1 3.45Å; R67-E71 WeakPolarHBondContact CG-OE2 3.31Å; R67-E71 IonicContact NH1-OE2 2.86Å; R67-E71 PolarHBondContact NH1-OE2 3.08Å; R67-E71 PolarHBondContact O-N 2.8Å
68	E	96.2	Very high	95.5	Very high	17 Å²	17	47.5 Å²	47.5	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-36.1	-179.9	-61.4	-66.3	171.8	0	0	112.4	V51 G53 V64 I70 E71 E72	V51-E68 VanDerWaalsContact CG1-C 3.46Å; V51-E68 HydrophobicContact CG1-CB 3.67Å; G53-E68 VanDerWaalsContact CA-OE1 3.31Å; G53-E68 WeakPolarHBondContact CA-OE1 3.38Å; V64-E68 HydrophobicContact CG1-CG 3.88Å; V64-E68 WeakPolarHBondContact O-CB 3.4Å; V64-E68 VanDerWaalsContact O-CG 3.24Å; V64-E68 WeakPolarHBondContact O-CG 3.28Å; V64-E68 PolarHBondContact O-N 3.34Å; E68-I70 PolarHBondContact O-N 3.29Å; E68-E71 PolarHBondContact O-N 2.76Å; E68-E72 WeakPolarHBondContact O-CB 3.47Å; E68-E72 PolarHBondContact O-N 2.98Å
69	A	95.9	Very high	95.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-32	175.3	0	0	0	0	0	112.9	L18 V51 A65 R67 A73 G74 L75 V77	L18-A69 HydrophobicContact CD2-CB 3.73Å; V51-A69 HydrophobicContact CG1-CB 4.26Å; A65-A69 VanDerWaalsContact O-CB 3.26Å; A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-A69 PolarHBondContact O-N 3Å; R67-A69 VanDerWaalsContact C-N 3.33Å; R67-A69 PolarHBondContact O-N 3.16Å; A69-A73 CarbonylContact O-C 3.54Å; A69-A73 WeakPolarHBondContact O-CB 3.45Å; A69-A73 PolarHBondContact O-N 2.75Å; A69-G74 PolarHBondContact O-N 3.15Å; A69-G74 VanDerWaalsContact O-N 3.12Å; A69-L75 CarbonylContact C-O 3.49Å; A69-L75 HydrophobicContact CB-CB 4.39Å; A69-L75 PolarHBondContact O-N 3.46Å; A69-V77 HydrophobicContact CB-CG2 3.39Å
70	I	95.2	Very high	95.6	Very high	99 Å²	99	51 Å²	51	51%	0.508	25%	0.252	S	S	.	.	H	α-helix	trans	-77.6	-45.4	175.2	-63.7	167.8	0	0	0	109.9	R66 R67 E68 G74 L75	R66-I70 WeakPolarHBondContact O-CG1 3.44Å; R66-I70 PolarHBondContact O-N 2.97Å; R67-I70 WeakPolarHBondContact O-CB 3.4Å; R67-I70 PolarHBondContact O-N 2.86Å; E68-I70 PolarHBondContact O-N 3.29Å; I70-G74 VanDerWaalsContact O-CA 3.26Å; I70-G74 WeakPolarHBondContact O-CA 3.42Å; I70-G74 PolarHBondContact O-N 3.36Å; I70-L75 WeakPolarHBondContact CG1-O 3.39Å
71	E	93.3	Very high	95.5	Very high	53 Å²	53	55.4 Å²	55.4	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-70.5	-45.4	-174.8	-72.3	168.4	179.6	0	0	113	R67 E68 H113 G114 L115	R67-E71 HydrophobicContact CG-CG 4.48Å; R67-E71 VanDerWaalsContact CG-OE1 3.22Å; R67-E71 WeakPolarHBondContact CG-OE1 3.45Å; R67-E71 WeakPolarHBondContact CG-OE2 3.31Å; R67-E71 IonicContact NH1-OE2 2.86Å; R67-E71 PolarHBondContact NH1-OE2 3.08Å; R67-E71 PolarHBondContact O-N 2.8Å; E68-E71 PolarHBondContact O-N 2.76Å; E71-H113 WeakPolarHBondContact O-CB 3.26Å; E71-G114 PolarHBondContact O-N 3.39Å; E71-L115 HydrophobicContact CG-CG 4.49Å
72	E	93.5	Very high	95.2	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.019	28%	0.281	C	S	.	.	H	α-helix	trans	-91.2	-21.2	-175.7	-59.4	-166.1	123.5	0	0	113.6	I31 Q33 V51 A52 E68 H113 I122	I31-E72 HydrophobicContact CD1-CB 4.15Å; I31-E72 VanDerWaalsContact CD1-OE2 3.29Å; I31-E72 WeakPolarHBondContact CD1-OE2 3.47Å; Q33-E72 PolarHBondContact NE2-OE1 3.12Å; V51-E72 WeakPolarHBondContact CA-OE2 3.36Å; V51-E72 WeakPolarHBondContact CG1-OE2 3.32Å; A52-E72 PolarHBondContact N-OE2 2.87Å; E68-E72 WeakPolarHBondContact O-CB 3.47Å; E68-E72 PolarHBondContact O-N 2.98Å; E72-H113 VanDerWaalsContact O-CB 3.31Å; E72-H113 WeakPolarHBondContact O-CB 3.47Å; E72-I122 HydrophobicContact CB-CD1 3.83Å; E72-I122 HydrophobicContact CB-CG2 4.39Å; E72-I122 HydrophobicContact CG-CD1 3.61Å; E72-I122 WeakPolarHBondContact O-CG2 3.34Å
73	A	92.5	Very high	94.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-137.6	-5.6	-172.8	0	0	0	0	0	116.2	I31 V51 A69 L75 V124	I31-A73 HydrophobicContact CG2-CB 4.14Å; V51-A73 HydrophobicContact CG2-CB 4Å; A69-A73 CarbonylContact O-C 3.54Å; A69-A73 WeakPolarHBondContact O-CB 3.45Å; A69-A73 PolarHBondContact O-N 2.75Å; A73-L75 HydrophobicContact CB-CB 4.43Å; A73-L75 HydrophobicContact CB-CD1 3.83Å; A73-L75 HydrophobicContact CB-CG 3.9Å; A73-L75 PolarHBondContact O-N 2.91Å; A73-V124 HydrophobicContact CB-CG2 3.96Å
74	G	92.7	Very high	93.9	Very high	32 Å²	32	59.2 Å²	59.2	33%	0.33	29%	0.293	S	S	.	.			trans	64.7	24.2	-176.6	0	0	0	0	0	114	A69 I70	A69-G74 PolarHBondContact O-N 3.15Å; A69-G74 VanDerWaalsContact O-N 3.12Å; I70-G74 VanDerWaalsContact O-CA 3.26Å; I70-G74 WeakPolarHBondContact O-CA 3.42Å; I70-G74 PolarHBondContact O-N 3.36Å
75	L	94.9	Very high	93.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.311	C	S	.	.			trans	-102.1	130.5	-171.2	-70.5	177.9	0	0	0	112.9	P20 V29 A69 I70 A73 V104 T108 A109	P20-L75 HydrophobicContact CB-CD1 3.72Å; P20-L75 HydrophobicContact CG-CD1 3.99Å; V29-L75 HydrophobicContact CB-CD1 4.1Å; V29-L75 HydrophobicContact CG1-CD1 4.06Å; V29-L75 HydrophobicContact CG2-CD1 4.14Å; A69-L75 CarbonylContact C-O 3.49Å; A69-L75 HydrophobicContact CB-CB 4.39Å; A69-L75 PolarHBondContact O-N 3.46Å; I70-L75 WeakPolarHBondContact CG1-O 3.39Å; A73-L75 HydrophobicContact CB-CB 4.43Å; A73-L75 HydrophobicContact CB-CD1 3.83Å; A73-L75 HydrophobicContact CB-CG 3.9Å; A73-L75 PolarHBondContact O-N 2.91Å; L75-V104 HydrophobicContact CB-CG1 4.19Å; L75-V104 HydrophobicContact CD1-CB 4.43Å; L75-V104 HydrophobicContact CD1-CG1 4.21Å; L75-V104 HydrophobicContact CD1-CG2 4.32Å; L75-V104 HydrophobicContact CD2-CB 4.32Å; L75-T108 WeakPolarHBondContact CD2-OG1 3.23Å; L75-A109 HydrophobicContact CD1-CB 4.46Å; L75-A109 HydrophobicContact CD2-CB 3.88Å; L75-A109 HydrophobicContact CG-CB 4.46Å
76	I	96.9	Very high	92.9	Very high	137 Å²	137	66.2 Å²	66.2	70%	0.703	33%	0.33	S	S	*	.			trans	-88.7	110.9	169.4	-58.7	176	0	0	0	109.1
77	V	97.3	Very high	92.1	Very high	11 Å²	11	65.8 Å²	65.8	7%	0.067	33%	0.333	C	S	.	.			trans	-78.4	130.3	178.7	-170.3	0	0	0	0	110.5	L18 R66 A69 T80 V104	L18-V77 HydrophobicContact CD2-CG1 4.25Å; L18-V77 HydrophobicContact CD2-CG2 3.47Å; L18-V77 VanDerWaalsContact CD2-CG2 3.47Å; R66-V77 HydrophobicContact CG-CB 4.25Å; R66-V77 PolarHBondContact NH1-O 3.22Å; A69-V77 HydrophobicContact CB-CG2 3.39Å; V77-T80 HydrophobicContact CG1-CG2 3.54Å; V77-V104 HydrophobicContact CG2-CG1 4.46Å
78	K	95.7	Very high	91.3	Very high	121 Å²	121	65.2 Å²	65.2	53%	0.526	34%	0.342	S	S	.	.			trans	-91.6	-112.8	176.6	-60.8	169.7	-174.5	162	0	110.1	R66 E103	R66-K78 PolarHBondContact NH1-O 3.24Å; R66-K78 PolarHBondContact NH2-O 3.26Å; K78-E103 HydrophobicContact CB-CB 3.95Å; K78-E103 PolarHBondContact N-O 3.18Å
79	R	95.8	Very high	90.6	Very high	173 Å²	173	67.5 Å²	67.5	65%	0.653	36%	0.36	S	S	*	.	S	Bend	trans	-73.2	141	175.1	-67	-178	-67.5	175.4	-1.5	109.6	G102 E103	R79-G102 WeakPolarHBondContact O-CA 3.08Å; R79-E103 HydrophobicContact CB-CG 4.49Å; R79-E103 IonicContact CZ-OE1 3.36Å; R79-E103 IonicContact CZ-OE2 3.69Å; R79-E103 VanDerWaalsContact NE-CD 3.3Å; R79-E103 IonicContact NE-OE1 3.5Å; R79-E103 PolarHBondContact NE-OE1 3.34Å; R79-E103 IonicContact NE-OE2 2.67Å; R79-E103 PolarHBondContact NE-OE2 2.78Å; R79-E103 VanDerWaalsContact NH2-CD 3.28Å; R79-E103 IonicContact NH2-OE1 2.72Å; R79-E103 PolarHBondContact NH2-OE1 2.83Å; R79-E103 IonicContact NH2-OE2 3.08Å; R79-E103 PolarHBondContact NH2-OE2 3.01Å; R79-E103 VanDerWaalsContact NH2-OE2 3.15Å; R79-E103 PolarHBondContact O-N 2.79Å
80	T	96.3	Very high	89.7	Confident	34 Å²	34	72 Å²	72	21%	0.209	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.4	176.9	56	0	0	0	0	109.4	E62 V77 V101	E62-T80 HydrophobicContact CG-CG2 4.3Å; E62-T80 PolarHBondContact OE1-OG1 3.4Å; V77-T80 HydrophobicContact CG1-CG2 3.54Å; T80-V101 CarbonylContact C-O 3.52Å; T80-V101 VanDerWaalsContact CA-O 3.28Å; T80-V101 WeakPolarHBondContact CA-O 3.05Å
81	K	92.3	Very high	88.9	Confident	144 Å²	144	70.1 Å²	70.1	63%	0.626	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	128.6	171.7	-173.8	-179.7	177.9	-175	0	109.6	M100 V101	K81-M100 CarbonylContact O-C 3.59Å; K81-M100 WeakPolarHBondContact O-CA 3.28Å; K81-V101 HydrophobicContact CB-CG1 3.85Å; K81-V101 PolarHBondContact N-O 3.15Å; K81-V101 PolarHBondContact O-N 3.33Å
82	P	91.2	Very high	88.2	Confident	98 Å²	98	69.1 Å²	69.1	64%	0.636	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.1	171.2	27.9	-33.4	0	0	0	110
83	V	82.3	Confident	87.7	Confident	85 Å²	85	69.7 Å²	69.7	52%	0.515	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-62.5	-179.4	-179	0	0	0	0	109.8	I99 V101	V83-I99 HydrophobicContact CB-CB 4.49Å; V83-I99 HydrophobicContact CB-CG2 4.39Å; V83-I99 PolarHBondContact N-O 3.24Å; V83-V101 HydrophobicContact CG2-CB 4Å; V83-V101 HydrophobicContact CG2-CG1 3.93Å
84	L	84.2	Confident	87.5	Confident	95 Å²	95	71 Å²	71	50%	0.497	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	167.5	-178	62.9	85.2	0	0	0	111.6	F86 I99	L84-F86 HydrophobicContact CD1-CD1 3.34Å; L84-F86 HydrophobicContact CD1-CE1 3.78Å; L84-F86 HydrophobicContact CD1-CG 4.43Å; L84-I99 HydrophobicContact CD1-CB 4.23Å; L84-I99 HydrophobicContact CD1-CG1 3.58Å; L84-I99 HydrophobicContact CG-CB 4.21Å; L84-I99 HydrophobicContact CG-CG1 4.08Å; L84-I99 PolarHBondContact N-O 2.82Å; L84-I99 PolarHBondContact O-N 2.97Å
85	S	86.8	Confident	87.4	Confident	55 Å²	55	70.5 Å²	70.5	39%	0.385	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	131.2	174.5	179.3	0	0	0	0	111	R96 S97 S98	S85-R96 PolarHBondContact O-NH1 3.26Å; S85-R96 VanDerWaalsContact OG-CD 3.31Å; S85-R96 WeakPolarHBondContact OG-CD 3.42Å; S85-R96 VanDerWaalsContact OG-CG 3.31Å; S85-R96 WeakPolarHBondContact OG-CG 3.45Å; S85-R96 PolarHBondContact OG-NH1 3.38Å; S85-S97 VanDerWaalsContact CA-O 3.31Å; S85-S97 WeakPolarHBondContact CA-O 3.39Å; S85-S97 PolarHBondContact OG-O 2.82Å; S85-S98 PolarHBondContact OG-OG 3.42Å
86	F	84.8	Confident	87.3	Confident	94 Å²	94	75 Å²	75	41%	0.412	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.4	-175.6	67.1	-79.8	0	0	0	112.5	L84 R96 S97 I99	L84-F86 HydrophobicContact CD1-CD1 3.34Å; L84-F86 HydrophobicContact CD1-CE1 3.78Å; L84-F86 HydrophobicContact CD1-CG 4.43Å; F86-R96 CarbonylContact O-C 3.46Å; F86-R96 VanDerWaalsContact O-CA 3.29Å; F86-R96 WeakPolarHBondContact O-CA 3.45Å; F86-S97 PolarHBondContact N-O 3.46Å; F86-S97 PolarHBondContact O-N 2.81Å; F86-I99 HydrophobicContact CD1-CG1 4.48Å; F86-I99 HydrophobicContact CE1-CD1 3.91Å; F86-I99 HydrophobicContact CE1-CG1 3.91Å
87	L	80	Confident	87.1	Confident	65 Å²	65	69.1 Å²	69.1	34%	0.34	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.5	170.6	-71.4	168.1	0	0	0	109	S89 P90 E95 R96	L87-S89 PolarHBondContact O-N 2.77Å; L87-P90 HydrophobicContact CB-CB 3.97Å; L87-P90 HydrophobicContact CB-CG 4.41Å; L87-P90 HydrophobicContact CD1-CB 3.84Å; L87-E95 WeakPolarHBondContact CA-O 3.42Å; L87-R96 HydrophobicContact CD2-CB 4.17Å
88	A	79.3	Confident	87	Confident	52 Å²	52	69.6 Å²	69.6	43%	0.43	39%	0.392	S	S	.	.	S	Bend	trans	-61.8	-47.2	-174.3	0	0	0	0	0	112.3	T93 E95	A88-T93 HydrophobicContact CB-CG2 4.34Å; A88-E95 PolarHBondContact N-O 2.89Å
89	S	82	Confident	86.9	Confident	66 Å²	66	64.8 Å²	64.8	46%	0.462	37%	0.372	S	S	.	.			trans	-146.1	84.7	172.1	-179	0	0	0	0	110.3	L87 G91 G92 T93	L87-S89 PolarHBondContact O-N 2.77Å; S89-G91 PolarHBondContact O-N 2.8Å; S89-G92 PolarHBondContact O-N 2.73Å; S89-T93 WeakPolarHBondContact O-CG2 3.33Å; S89-T93 PolarHBondContact O-N 3.32Å
90	P	76.6	Confident	86.8	Confident	94 Å²	94	57.1 Å²	57.1	61%	0.61	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-12	-171.6	25.2	-35.1	0	0	0	114.4	L87	L87-P90 HydrophobicContact CB-CB 3.97Å; L87-P90 HydrophobicContact CB-CG 4.41Å; L87-P90 HydrophobicContact CD1-CB 3.84Å
91	G	78.3	Confident	86.7	Confident	60 Å²	60	57.3 Å²	57.3	62%	0.619	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.5	173.6	0	0	0	0	0	114.6	S89	S89-G91 PolarHBondContact O-N 2.8Å
92	G	78.9	Confident	86.9	Confident	31 Å²	31	50.5 Å²	50.5	32%	0.32	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.1	-11.2	-172	0	0	0	0	0	116.2	F10 S89	F10-G92 WeakPolarHBondContact CB-O 3.43Å; F10-G92 PolarHBondContact N-O 3.43Å; S89-G92 PolarHBondContact O-N 2.73Å
93	T	82.6	Confident	87.2	Confident	16 Å²	16	47.9 Å²	47.9	10%	0.098	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-138.1	149.6	176.4	-175.1	0	0	0	0	112.5	F10 A88 S89 E95	F10-T93 VanDerWaalsContact O-CA 3.31Å; F10-T93 WeakPolarHBondContact O-CA 3.21Å; F10-T93 WeakPolarHBondContact O-CB 3.48Å; F10-T93 PolarHBondContact O-OG1 3.08Å; A88-T93 HydrophobicContact CB-CG2 4.34Å; S89-T93 WeakPolarHBondContact O-CG2 3.33Å; S89-T93 PolarHBondContact O-N 3.32Å; T93-E95 VanDerWaalsContact C-N 3.28Å; T93-E95 HydrophobicContact CG2-CB 4.02Å; T93-E95 WeakPolarHBondContact OG1-CB 3.21Å; T93-E95 PolarHBondContact OG1-N 2.8Å; T93-E95 VanDerWaalsContact OG1-N 3.09Å
94	S	87.5	Confident	87.8	Confident	27 Å²	27	43.9 Å²	43.9	19%	0.189	27%	0.27	C	S	.	.			trans	-81.1	-7.4	169.6	58.7	0	0	0	0	113.2	F10 E11 R96	F10-S94 PolarHBondContact O-N 3.31Å; E11-S94 PolarHBondContact OE1-OG 2.81Å; E11-S94 WeakPolarHBondContact OE2-CB 3.27Å; E11-S94 PolarHBondContact OE2-OG 2.94Å; S94-R96 PolarHBondContact O-N 2.71Å
95	E	91.5	Very high	88.2	Confident	23 Å²	23	42.1 Å²	42.1	11%	0.107	26%	0.261	C	S	.	.			trans	-61.2	123.4	-172.8	-177.1	179.4	177.6	0	0	112.1	R12 G13 L87 A88 T93	R12-E95 WeakPolarHBondContact CD-OE2 3.34Å; R12-E95 HydrophobicContact CG-CB 4.37Å; R12-E95 IonicContact CZ-OE1 3.89Å; R12-E95 IonicContact CZ-OE2 3.64Å; R12-E95 IonicContact NE-OE2 3.86Å; R12-E95 IonicContact NH1-OE1 2.72Å; R12-E95 PolarHBondContact NH1-OE1 3.16Å; R12-E95 IonicContact NH1-OE2 3.42Å; R12-E95 PolarHBondContact NH1-OE2 3.15Å; G13-E95 WeakPolarHBondContact O-CA 3.04Å; L87-E95 WeakPolarHBondContact CA-O 3.42Å; A88-E95 PolarHBondContact N-O 2.89Å; T93-E95 VanDerWaalsContact C-N 3.28Å; T93-E95 HydrophobicContact CG2-CB 4.02Å; T93-E95 WeakPolarHBondContact OG1-CB 3.21Å; T93-E95 PolarHBondContact OG1-N 2.8Å; T93-E95 VanDerWaalsContact OG1-N 3.09Å
96	R	92.1	Very high	88.3	Confident	95 Å²	95	39.6 Å²	39.6	36%	0.358	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.7	172.4	176.2	167.9	-73.6	-78.8	-2.2	109.2	H14 A15 S85 F86 L87 S94	H14-R96 WeakPolarHBondContact CA-O 3.3Å; H14-R96 WeakPolarHBondContact CB-O 3.26Å; A15-R96 PolarHBondContact N-O 2.85Å; S85-R96 PolarHBondContact O-NH1 3.26Å; S85-R96 VanDerWaalsContact OG-CD 3.31Å; S85-R96 WeakPolarHBondContact OG-CD 3.42Å; S85-R96 VanDerWaalsContact OG-CG 3.31Å; S85-R96 WeakPolarHBondContact OG-CG 3.45Å; S85-R96 PolarHBondContact OG-NH1 3.38Å; F86-R96 CarbonylContact O-C 3.46Å; F86-R96 VanDerWaalsContact O-CA 3.29Å; F86-R96 WeakPolarHBondContact O-CA 3.45Å; L87-R96 HydrophobicContact CD2-CB 4.17Å; S94-R96 PolarHBondContact O-N 2.71Å
97	S	92.8	Very high	88.5	Confident	12 Å²	12	39.5 Å²	39.5	8%	0.084	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.6	172.4	-50.4	0	0	0	0	109	A15 S85 F86	A15-S97 CarbonylContact O-C 3.46Å; A15-S97 WeakPolarHBondContact O-CA 3.47Å; S85-S97 VanDerWaalsContact CA-O 3.31Å; S85-S97 WeakPolarHBondContact CA-O 3.39Å; S85-S97 PolarHBondContact OG-O 2.82Å; F86-S97 PolarHBondContact N-O 3.46Å; F86-S97 PolarHBondContact O-N 2.81Å
98	S	95.8	Very high	88.9	Confident	22 Å²	22	39.7 Å²	39.7	15%	0.154	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	111.8	176.7	-59.5	0	0	0	0	109.1	A15 V17 S85	A15-S98 PolarHBondContact O-N 3.3Å; V17-S98 PolarHBondContact N-O 3.09Å; S85-S98 PolarHBondContact OG-OG 3.42Å
99	I	93.1	Very high	89.3	Confident	19 Å²	19	37.6 Å²	37.6	10%	0.097	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131	-174.5	-45.3	-57.2	0	0	0	109.8	V17 M50 V83 L84 F86	V17-I99 HydrophobicContact CB-CD1 3.4Å; V17-I99 HydrophobicContact CG1-CD1 3.74Å; V17-I99 HydrophobicContact CG2-CD1 3.61Å; V17-I99 CarbonylContact O-C 3.48Å; V17-I99 WeakPolarHBondContact O-CA 3.45Å; M50-I99 HydrophobicContact CE-CD1 4.31Å; M50-I99 HydrophobicContact CE-CG2 4.44Å; M50-I99 HydrophobicContact SD-CG2 4.37Å; V83-I99 HydrophobicContact CB-CB 4.49Å; V83-I99 HydrophobicContact CB-CG2 4.39Å; V83-I99 PolarHBondContact N-O 3.24Å; L84-I99 HydrophobicContact CD1-CB 4.23Å; L84-I99 HydrophobicContact CD1-CG1 3.58Å; L84-I99 HydrophobicContact CG-CB 4.21Å; L84-I99 HydrophobicContact CG-CG1 4.08Å; L84-I99 PolarHBondContact N-O 2.82Å; L84-I99 PolarHBondContact O-N 2.97Å; F86-I99 HydrophobicContact CD1-CG1 4.48Å; F86-I99 HydrophobicContact CE1-CD1 3.91Å; F86-I99 HydrophobicContact CE1-CG1 3.91Å
100	M	94.8	Very high	89.6	Confident	13 Å²	13	38 Å²	38	6%	0.064	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155.2	171.9	-57.1	-170.9	74.9	0	0	110.1	V17 L18 L19 V61 E62 K81	V17-M100 PolarHBondContact O-N 3.26Å; L18-M100 CarbonylContact C-O 3.55Å; L18-M100 WeakPolarHBondContact CA-O 3.39Å; L18-M100 HydrophobicContact CD1-CB 4.09Å; L19-M100 PolarHBondContact N-O 2.85Å; V61-M100 HydrophobicContact CB-SD 4.46Å; V61-M100 HydrophobicContact CG1-CG 4.14Å; V61-M100 HydrophobicContact CG1-SD 3.77Å; E62-M100 HydrophobicContact CB-CE 4.22Å; E62-M100 HydrophobicContact CB-SD 4.17Å; E62-M100 HydrophobicContact CG-CE 4.38Å; K81-M100 CarbonylContact O-C 3.59Å; K81-M100 WeakPolarHBondContact O-CA 3.28Å
101	V	94.6	Very high	90.2	Very high	38 Å²	38	35.6 Å²	35.6	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.3	164	62.6	0	0	0	0	108.4	L19 F21 T80 K81 V83	L19-V101 WeakPolarHBondContact O-CA 3.46Å; L19-V101 WeakPolarHBondContact O-CG2 3.31Å; F21-V101 HydrophobicContact CB-CG2 3.87Å; T80-V101 CarbonylContact C-O 3.52Å; T80-V101 VanDerWaalsContact CA-O 3.28Å; T80-V101 WeakPolarHBondContact CA-O 3.05Å; K81-V101 HydrophobicContact CB-CG1 3.85Å; K81-V101 PolarHBondContact N-O 3.15Å; K81-V101 PolarHBondContact O-N 3.33Å; V83-V101 HydrophobicContact CG2-CB 4Å; V83-V101 HydrophobicContact CG2-CG1 3.93Å
102	G	96.2	Very high	90.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.8	-179	0	0	0	0	0	112.3	L19 P20 F21 R79	L19-G102 PolarHBondContact O-N 3.39Å; P20-G102 WeakPolarHBondContact CA-O 3.39Å; F21-G102 PolarHBondContact N-O 3.16Å; R79-G102 WeakPolarHBondContact O-CA 3.08Å
103	E	96.5	Very high	91.1	Very high	43 Å²	43	39.2 Å²	39.2	20%	0.201	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.4	176.3	-75.4	175.1	-169.6	0	0	111.3	F21 P23 K78 R79	F21-E103 CarbonylContact O-C 3.55Å; F21-E103 VanDerWaalsContact O-CA 3.26Å; F21-E103 WeakPolarHBondContact O-CA 3.44Å; P23-E103 HydrophobicContact CG-CG 4.21Å; K78-E103 HydrophobicContact CB-CB 3.95Å; K78-E103 PolarHBondContact N-O 3.18Å; R79-E103 HydrophobicContact CB-CG 4.49Å; R79-E103 IonicContact CZ-OE1 3.36Å; R79-E103 IonicContact CZ-OE2 3.69Å; R79-E103 VanDerWaalsContact NE-CD 3.3Å; R79-E103 IonicContact NE-OE1 3.5Å; R79-E103 PolarHBondContact NE-OE1 3.34Å; R79-E103 IonicContact NE-OE2 2.67Å; R79-E103 PolarHBondContact NE-OE2 2.78Å; R79-E103 VanDerWaalsContact NH2-CD 3.28Å; R79-E103 IonicContact NH2-OE1 2.72Å; R79-E103 PolarHBondContact NH2-OE1 2.83Å; R79-E103 IonicContact NH2-OE2 3.08Å; R79-E103 PolarHBondContact NH2-OE2 3.01Å; R79-E103 VanDerWaalsContact NH2-OE2 3.15Å; R79-E103 PolarHBondContact O-N 2.79Å
104	V	95	Very high	91.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	24%	0.235	C	C	.	.			trans	-133.7	177.2	178.5	-61.8	0	0	0	0	111.4	P20 F21 V29 L75 V77	P20-V104 HydrophobicContact CB-CB 4.45Å; P20-V104 HydrophobicContact CB-CG1 3.85Å; P20-V104 HydrophobicContact CB-CG2 3.77Å; F21-V104 PolarHBondContact O-N 2.72Å; V29-V104 HydrophobicContact CG2-CG2 4.32Å; L75-V104 HydrophobicContact CB-CG1 4.19Å; L75-V104 HydrophobicContact CD1-CB 4.43Å; L75-V104 HydrophobicContact CD1-CG1 4.21Å; L75-V104 HydrophobicContact CD1-CG2 4.32Å; L75-V104 HydrophobicContact CD2-CB 4.32Å; V77-V104 HydrophobicContact CG2-CG1 4.46Å
105	D	92.6	Very high	90.8	Very high	59 Å²	59	41.4 Å²	41.4	32%	0.316	24%	0.242	S	C	.	.			trans	-106.5	105.7	163.5	179.7	-8.8	0	0	0	108.2	R25 T107 T108	R25-D105 IonicContact CZ-OD1 3.22Å; R25-D105 IonicContact NH1-OD1 3.51Å; R25-D105 PolarHBondContact NH1-OD1 2.83Å; D105-T107 PolarHBondContact O-N 2.78Å; D105-T107 VanDerWaalsContact O-N 3.15Å; D105-T107 PolarHBondContact OD1-N 2.99Å; D105-T107 PolarHBondContact OD1-OG1 2.88Å; D105-T108 HydrophobicContact CB-CG2 4.3Å; D105-T108 PolarHBondContact O-N 2.79Å; D105-T108 PolarHBondContact O-OG1 3.03Å
106	A	89.7	Confident	90	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-64.8	-18.7	-175.9	0	0	0	0	0	112.6	D22 E27 V29 T108 A109 V126	D22-A106 HydrophobicContact CB-CB 3.63Å; D22-A106 PolarHBondContact OD2-N 2.88Å; E27-A106 HydrophobicContact CB-CB 4.34Å; V29-A106 HydrophobicContact CG2-CB 4.13Å; A106-T108 PolarHBondContact O-N 3.05Å; A106-A109 WeakPolarHBondContact O-CB 3.39Å; A106-A109 PolarHBondContact O-N 2.74Å; A106-A109 VanDerWaalsContact O-N 3.14Å; A106-V126 HydrophobicContact CB-CG1 4.25Å; A106-V126 WeakPolarHBondContact O-CG2 2.95Å
107	T	87.7	Confident	89.4	Confident	91 Å²	91	47.8 Å²	47.8	56%	0.558	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-69.1	-14	173.7	40.1	0	0	0	0	114.8	R25 D105	R25-T107 PolarHBondContact NH1-OG1 2.81Å; R25-T107 PolarHBondContact NH2-OG1 2.86Å; R25-T107 VanDerWaalsContact NH2-OG1 3.11Å; D105-T107 PolarHBondContact O-N 2.78Å; D105-T107 VanDerWaalsContact O-N 3.15Å; D105-T107 PolarHBondContact OD1-N 2.99Å; D105-T107 PolarHBondContact OD1-OG1 2.88Å
108	T	90.1	Very high	88.8	Confident	70 Å²	70	52.6 Å²	52.6	43%	0.429	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-88	-17.6	174.1	64.1	0	0	0	0	112.6	L75 D105 A106 S110	L75-T108 WeakPolarHBondContact CD2-OG1 3.23Å; D105-T108 HydrophobicContact CB-CG2 4.3Å; D105-T108 PolarHBondContact O-N 2.79Å; D105-T108 PolarHBondContact O-OG1 3.03Å; A106-T108 PolarHBondContact O-N 3.05Å; T108-S110 PolarHBondContact O-N 2.97Å; T108-S110 VanDerWaalsContact O-N 3.16Å
109	A	87.8	Confident	87.9	Confident	7 Å²	7	58.4 Å²	58.4	6%	0.058	35%	0.347	C	S	.	.			trans	-74.1	105	179	0	0	0	0	0	110.6	V29 L75 A106 V124 V126	V29-A109 HydrophobicContact CB-CB 4.39Å; V29-A109 HydrophobicContact CG1-CB 3.67Å; V29-A109 HydrophobicContact CG2-CB 3.78Å; L75-A109 HydrophobicContact CD1-CB 4.46Å; L75-A109 HydrophobicContact CD2-CB 3.88Å; L75-A109 HydrophobicContact CG-CB 4.46Å; A106-A109 WeakPolarHBondContact O-CB 3.39Å; A106-A109 PolarHBondContact O-N 2.74Å; A106-A109 VanDerWaalsContact O-N 3.14Å; A109-V124 HydrophobicContact CB-CG1 3.54Å; A109-V126 HydrophobicContact CB-CG2 3.34Å; A109-V126 WeakPolarHBondContact O-CG2 3.46Å
110	S	87.9	Confident	87.3	Confident	75 Å²	75	60 Å²	60	52%	0.524	35%	0.354	S	S	.	.			trans	-163.7	159.8	176.4	62.5	0	0	0	0	111.2	T108 H113	T108-S110 PolarHBondContact O-N 2.97Å; T108-S110 VanDerWaalsContact O-N 3.16Å; S110-H113 PolarHBondContact O-NE2 2.83Å
111	G	87.8	Confident	86.8	Confident	43 Å²	43	64.3 Å²	64.3	44%	0.443	38%	0.377	S	S	.	.	S	Bend	trans	91.5	-162.5	169.4	0	0	0	0	0	114.7	V124	G111-V124 PolarHBondContact O-N 2.98Å; G111-V124 VanDerWaalsContact O-N 3.08Å
112	I	88.5	Confident	86.4	Confident	117 Å²	117	62.5 Å²	62.5	60%	0.6	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.7	177.9	-58.1	173.7	0	0	0	107.1	I122	I112-I122 CarbonylContact C-O 3.55Å; I112-I122 VanDerWaalsContact CA-O 3.22Å; I112-I122 WeakPolarHBondContact CA-O 3.36Å
113	H	88.9	Confident	86	Confident	50 Å²	50	68.6 Å²	68.6	23%	0.231	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	-175.7	-174.9	-65.1	-94.5	0	0	0	109.7	E71 E72 S110 I122 V124	E71-H113 WeakPolarHBondContact O-CB 3.26Å; E72-H113 VanDerWaalsContact O-CB 3.31Å; E72-H113 WeakPolarHBondContact O-CB 3.47Å; S110-H113 PolarHBondContact O-NE2 2.83Å; H113-I122 PolarHBondContact N-O 3.2Å; H113-I122 WeakPolarHBondContact O-CB 3.13Å; H113-I122 PolarHBondContact O-N 2.79Å; H113-V124 WeakPolarHBondContact CD2-CG2 3.45Å
114	G	81.7	Confident	85.4	Confident	25 Å²	25	67.1 Å²	67.1	26%	0.258	38%	0.383	S	S	.	.	S	Bend	trans	112.9	155.3	-170.2	0	0	0	0	0	112.1	E71 E120	E71-G114 PolarHBondContact O-N 3.39Å; G114-E120 WeakPolarHBondContact CA-OE2 3.5Å
115	L	80.9	Confident	84.5	Confident	65 Å²	65	70.1 Å²	70.1	34%	0.34	40%	0.397	S	S	.	.			trans	-82.6	128.7	176.7	-69.6	174.5	0	0	0	110.4	E71 D117 E118 N119 E120	E71-L115 HydrophobicContact CG-CG 4.49Å; L115-D117 PolarHBondContact O-N 2.83Å; L115-D117 VanDerWaalsContact O-N 3.16Å; L115-E118 HydrophobicContact CB-CB 4.11Å; L115-E118 HydrophobicContact CB-CG 3.86Å; L115-E118 HydrophobicContact CD1-CG 4.33Å; L115-E118 PolarHBondContact O-N 3.38Å; L115-N119 PolarHBondContact O-N 3.46Å; L115-E120 PolarHBondContact N-OE2 2.82Å
116	A	75.6	Confident	83.1	Confident	92 Å²	92	69 Å²	69	76%	0.76	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-32	-178.3	0	0	0	0	0	113.1	E118	A116-E118 VanDerWaalsContact C-N 3.3Å
117	D	78.4	Confident	81.8	Confident	160 Å²	160	78.1 Å²	78.1	86%	0.856	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.3	178.6	-68.4	-23.7	0	0	0	112.8	L115	L115-D117 PolarHBondContact O-N 2.83Å; L115-D117 VanDerWaalsContact O-N 3.16Å
118	E	80.3	Confident	80.5	Confident	113 Å²	113	78.8 Å²	78.8	53%	0.528	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-5.6	-179.4	-59.8	-166.2	176.9	0	0	112.9	L115 A116 E120	L115-E118 HydrophobicContact CB-CB 4.11Å; L115-E118 HydrophobicContact CB-CG 3.86Å; L115-E118 HydrophobicContact CD1-CG 4.33Å; L115-E118 PolarHBondContact O-N 3.38Å; A116-E118 VanDerWaalsContact C-N 3.3Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 HydrophobicContact CB-CG 3.82Å
119	N	78.9	Confident	78.9	Confident	144 Å²	144	78.4 Å²	78.4	77%	0.77	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	41.2	-177.8	-51.2	-86.3	0	0	0	112.7	L115	L115-N119 PolarHBondContact O-N 3.46Å
120	E	79.3	Confident	77.4	Confident	52 Å²	52	78.2 Å²	78.2	24%	0.243	42%	0.415	C	S	.	.			trans	-95.5	119.8	-180	-65.4	-174.1	140	0	0	111	G114 L115 E118 I122	G114-E120 WeakPolarHBondContact CA-OE2 3.5Å; L115-E120 PolarHBondContact N-OE2 2.82Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 HydrophobicContact CB-CG 3.82Å; E120-I122 HydrophobicContact CB-CD1 4.08Å; E120-I122 HydrophobicContact CB-CG1 4.09Å
121	D	83.7	Confident	76	Confident	103 Å²	103	75.9 Å²	75.9	55%	0.551	40%	0.397	S	S	*	.			trans	-104.9	92.4	167.2	-74.4	-56.6	0	0	0	107.9	W46	W46-D121 HydrophobicContact CH2-CB 3.87Å; W46-D121 HydrophobicContact CZ3-CB 4.25Å; W46-D121 WeakPolarHBondContact CZ3-O 3.29Å
122	I	86.5	Confident	74.9	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.005	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.1	-175.9	-55.8	175.8	0	0	0	109.7	I31 Q33 E72 I112 H113 E120	I31-I122 HydrophobicContact CB-CG2 3.63Å; I31-I122 HydrophobicContact CD1-CG2 3.87Å; I31-I122 HydrophobicContact CG1-CG2 4.27Å; I31-I122 HydrophobicContact CG2-CG2 3.96Å; Q33-I122 HydrophobicContact CB-CG1 4.24Å; E72-I122 HydrophobicContact CB-CD1 3.83Å; E72-I122 HydrophobicContact CB-CG2 4.39Å; E72-I122 HydrophobicContact CG-CD1 3.61Å; E72-I122 WeakPolarHBondContact O-CG2 3.34Å; I112-I122 CarbonylContact C-O 3.55Å; I112-I122 VanDerWaalsContact CA-O 3.22Å; I112-I122 WeakPolarHBondContact CA-O 3.36Å; H113-I122 PolarHBondContact N-O 3.2Å; H113-I122 WeakPolarHBondContact O-CB 3.13Å; H113-I122 PolarHBondContact O-N 2.79Å; E120-I122 HydrophobicContact CB-CD1 4.08Å; E120-I122 HydrophobicContact CB-CG1 4.09Å
123	R	87.5	Confident	73.4	Confident	127 Å²	127	75 Å²	75	48%	0.479	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.1	174.9	-179.9	-177.2	-66.8	147.1	-3.8	110.6	I31 E32	I31-R123 CarbonylContact C-O 3.6Å; I31-R123 WeakPolarHBondContact CA-O 3.41Å; E32-R123 HydrophobicContact CB-CB 4.33Å; E32-R123 PolarHBondContact N-O 2.76Å; E32-R123 PolarHBondContact O-N 2.9Å; E32-R123 IonicContact OE2-CZ 2.68Å; E32-R123 IonicContact OE2-NH1 3.83Å; E32-R123 PolarHBondContact OE2-NH1 3.39Å
124	V	85.2	Confident	72	Confident	12 Å²	12	75 Å²	75	7%	0.073	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.3	175	-178.7	0	0	0	0	110.8	V29 I31 A73 A109 G111 H113	V29-V124 HydrophobicContact CG1-CG1 3.53Å; I31-V124 HydrophobicContact CG2-CG2 4.3Å; A73-V124 HydrophobicContact CB-CG2 3.96Å; A109-V124 HydrophobicContact CB-CG1 3.54Å; G111-V124 PolarHBondContact O-N 2.98Å; G111-V124 VanDerWaalsContact O-N 3.08Å; H113-V124 WeakPolarHBondContact CD2-CG2 3.45Å
125	H	75.6	Confident	71.4	Confident	65 Å²	65	78.3 Å²	78.3	30%	0.301	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	105.6	173.1	-69.9	-94.5	0	0	0	110.1	L30 E32 L48	L30-H125 PolarHBondContact N-O 3.15Å; L30-H125 CarbonylContact O-C 3.55Å; L30-H125 WeakPolarHBondContact O-CA 3.4Å; L30-H125 PolarHBondContact O-N 2.77Å; L30-H125 VanDerWaalsContact O-O 3.07Å; E32-H125 VanDerWaalsContact CB-CD2 3.4Å; E32-H125 WeakPolarHBondContact CB-CD2 3.48Å; E32-H125 VanDerWaalsContact CB-NE2 3.28Å; E32-H125 WeakPolarHBondContact CB-NE2 3.48Å; E32-H125 IonicContact OE2-CE1 2.99Å; E32-H125 IonicContact OE2-NE2 3.81Å; E32-H125 PolarHBondContact OE2-NE2 3.4Å; L48-H125 HydrophobicContact CD2-CB 4.24Å
126	V	63.1	Low	71	Confident	34 Å²	34	78.8 Å²	78.8	21%	0.206	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.5	156.1	-176	0	0	0	0	105.6	A106 A109	A106-V126 HydrophobicContact CB-CG1 4.25Å; A106-V126 WeakPolarHBondContact O-CG2 2.95Å; A109-V126 HydrophobicContact CB-CG2 3.34Å; A109-V126 WeakPolarHBondContact O-CG2 3.46Å
127	R	61.8	Low	70.7	Confident	194 Å²	194	79.4 Å²	79.4	73%	0.732	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	150.8	50.9	158.7	-81.5	155.8	-170	-135.6	3.5	112.6
128	Y	60	Low	70.4	Confident	105 Å²	105	75.7 Å²	75.7	41%	0.412	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.4	153.4	-168.9	-123.3	0	0	0	108.7	V28 P130 A224	V28-Y128 HydrophobicContact CG2-CD1 3.86Å; V28-Y128 HydrophobicContact CG2-CG 4.3Å; V28-Y128 WeakPolarHBondContact CG2-O 3.28Å; V28-Y128 PolarHBondContact N-O 3.47Å; Y128-P130 HydrophobicContact CD1-CB 3.95Å; Y128-P130 VanDerWaalsContact CD1-CD 3.46Å; Y128-P130 HydrophobicContact CD1-CG 3.91Å; Y128-P130 HydrophobicContact CE1-CB 3.43Å; Y128-P130 VanDerWaalsContact CE1-CB 3.43Å; Y128-P130 HydrophobicContact CE1-CG 3.92Å; Y128-P130 WeakPolarHBondContact O-CD 3.3Å; Y128-A224 HydrophobicContact CE2-CB 3.96Å
129	T	57.1	Low	70.5	Confident	63 Å²	63	71.2 Å²	71.2	39%	0.387	34%	0.338	S	S	.	.			trans	-96.4	83.6	162.2	-51.3	0	0	0	0	106	D26 D131	D26-T129 HydrophobicContact CB-CG2 4.19Å; D26-T129 WeakPolarHBondContact O-CA 3.31Å; D26-T129 WeakPolarHBondContact O-CB 3.04Å; D26-T129 WeakPolarHBondContact O-CG2 3.35Å; T129-D131 PolarHBondContact O-N 3.14Å
130	P	57.5	Low	70.5	Confident	3 Å²	3	69 Å²	69	2%	0.019	32%	0.323	C	S	.	.			trans	-56.6	127.4	165	21.3	-27.9	0	0	0	107.3	V28 Y128 F132	V28-P130 HydrophobicContact CG1-CG 4.13Å; V28-P130 HydrophobicContact CG2-CG 4.46Å; Y128-P130 HydrophobicContact CD1-CB 3.95Å; Y128-P130 VanDerWaalsContact CD1-CD 3.46Å; Y128-P130 HydrophobicContact CD1-CG 3.91Å; Y128-P130 HydrophobicContact CE1-CB 3.43Å; Y128-P130 VanDerWaalsContact CE1-CB 3.43Å; Y128-P130 HydrophobicContact CE1-CG 3.92Å; Y128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-F132 HydrophobicContact CB-CD1 4.02Å; P130-F132 HydrophobicContact CB-CD2 3.87Å; P130-F132 HydrophobicContact CB-CE1 3.87Å; P130-F132 HydrophobicContact CB-CE2 3.77Å; P130-F132 HydrophobicContact CB-CG 4.01Å; P130-F132 HydrophobicContact CB-CZ 3.74Å; P130-F132 HydrophobicContact CG-CD1 4.35Å; P130-F132 HydrophobicContact CG-CD2 3.44Å; P130-F132 VanDerWaalsContact CG-CD2 3.44Å; P130-F132 HydrophobicContact CG-CE1 4Å; P130-F132 HydrophobicContact CG-CE2 3.03Å; P130-F132 HydrophobicContact CG-CG 4.1Å; P130-F132 HydrophobicContact CG-CZ 3.33Å; P130-F132 PolarHBondContact O-N 2.8Å
131	D	58.7	Low	70.4	Confident	26 Å²	26	71.5 Å²	71.5	14%	0.139	34%	0.336	C	S	.	.			trans	-74.9	69.4	168.7	-158.6	-31.3	0	0	0	108.8	T129 P133 E134 M135 R371	T129-D131 PolarHBondContact O-N 3.14Å; D131-P133 VanDerWaalsContact C-CD 3.47Å; D131-P133 VanDerWaalsContact C-N 3.31Å; D131-E134 HydrophobicContact CB-CB 3.76Å; D131-E134 WeakPolarHBondContact O-CB 3.34Å; D131-E134 PolarHBondContact O-N 3.22Å; D131-E134 VanDerWaalsContact O-N 3.1Å; D131-E134 WeakPolarHBondContact OD1-CB 3.42Å; D131-E134 PolarHBondContact OD1-N 2.85Å; D131-E134 VanDerWaalsContact OD1-N 3.12Å; D131-M135 WeakPolarHBondContact O-CB 3.4Å; D131-M135 PolarHBondContact O-N 3.06Å; D131-R371 IonicContact OD1-CZ 3.93Å; D131-R371 IonicContact OD1-NH1 3.91Å; D131-R371 PolarHBondContact OD1-NH1 2.9Å; D131-R371 VanDerWaalsContact OD1-NH1 3.1Å; D131-R371 IonicContact OD1-NH2 3.28Å; D131-R371 IonicContact OD2-CZ 3.4Å; D131-R371 IonicContact OD2-NH1 3.74Å; D131-R371 PolarHBondContact OD2-NH1 2.95Å; D131-R371 IonicContact OD2-NH2 3.13Å; D131-R371 PolarHBondContact OD2-NH2 3.15Å
132	F	64.3	Low	70.4	Confident	71 Å²	71	68.6 Å²	68.6	31%	0.311	32%	0.32	S	S	.	.	H	α-helix	trans	-56.5	-42.5	-176.6	-75.6	-60	0	0	0	111.8	V28 P130 E134 M135 M136	V28-F132 HydrophobicContact CG1-CE2 4.13Å; V28-F132 HydrophobicContact CG1-CZ 4.46Å; P130-F132 HydrophobicContact CB-CD1 4.02Å; P130-F132 HydrophobicContact CB-CD2 3.87Å; P130-F132 HydrophobicContact CB-CE1 3.87Å; P130-F132 HydrophobicContact CB-CE2 3.77Å; P130-F132 HydrophobicContact CB-CG 4.01Å; P130-F132 HydrophobicContact CB-CZ 3.74Å; P130-F132 HydrophobicContact CG-CD1 4.35Å; P130-F132 HydrophobicContact CG-CD2 3.44Å; P130-F132 VanDerWaalsContact CG-CD2 3.44Å; P130-F132 HydrophobicContact CG-CE1 4Å; P130-F132 HydrophobicContact CG-CE2 3.03Å; P130-F132 HydrophobicContact CG-CG 4.1Å; P130-F132 HydrophobicContact CG-CZ 3.33Å; P130-F132 PolarHBondContact O-N 2.8Å; F132-E134 VanDerWaalsContact C-N 3.34Å; F132-E134 PolarHBondContact O-N 2.98Å; F132-M135 HydrophobicContact CD1-CE 4.05Å; F132-M135 HydrophobicContact CE1-CE 4.33Å; F132-M135 PolarHBondContact O-N 2.71Å; F132-M136 WeakPolarHBondContact O-CB 3.32Å; F132-M136 WeakPolarHBondContact O-CG 3.46Å; F132-M136 PolarHBondContact O-N 2.89Å
133	P	57.4	Low	70.5	Confident	69 Å²	69	69 Å²	69	45%	0.448	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-40.9	174.8	-24.2	35.9	0	0	0	113	D131 R137	D131-P133 VanDerWaalsContact C-CD 3.47Å; D131-P133 VanDerWaalsContact C-N 3.31Å; P133-R137 VanDerWaalsContact O-CB 3.26Å; P133-R137 WeakPolarHBondContact O-CB 3.16Å; P133-R137 WeakPolarHBondContact O-CG 3.24Å; P133-R137 PolarHBondContact O-N 3.23Å; P133-R137 PolarHBondContact O-NE 3.02Å
134	E	58.9	Low	70.1	Confident	52 Å²	52	65.5 Å²	65.5	24%	0.243	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-51.6	173.8	177	-170.2	156.6	0	0	111.9	D131 F132 M136 R137 L138 F364 R371	D131-E134 HydrophobicContact CB-CB 3.76Å; D131-E134 WeakPolarHBondContact O-CB 3.34Å; D131-E134 PolarHBondContact O-N 3.22Å; D131-E134 VanDerWaalsContact O-N 3.1Å; D131-E134 WeakPolarHBondContact OD1-CB 3.42Å; D131-E134 PolarHBondContact OD1-N 2.85Å; D131-E134 VanDerWaalsContact OD1-N 3.12Å; F132-E134 VanDerWaalsContact C-N 3.34Å; F132-E134 PolarHBondContact O-N 2.98Å; E134-M136 VanDerWaalsContact C-N 3.3Å; E134-M136 PolarHBondContact O-N 2.86Å; E134-R137 PolarHBondContact O-N 3.02Å; E134-L138 WeakPolarHBondContact O-CB 3.27Å; E134-L138 PolarHBondContact O-N 2.82Å; E134-F364 HydrophobicContact CB-CE2 4.31Å; E134-F364 HydrophobicContact CG-CD2 4Å; E134-F364 HydrophobicContact CG-CE2 3.36Å; E134-F364 HydrophobicContact CG-CZ 4Å; E134-F364 VanDerWaalsContact OE1-CE2 3.24Å; E134-F364 WeakPolarHBondContact OE1-CE2 3.26Å; E134-F364 WeakPolarHBondContact OE1-CZ 3.36Å; E134-F364 WeakPolarHBondContact OE2-CE2 3.42Å; E134-F364 VanDerWaalsContact OE2-CZ 3.27Å; E134-F364 WeakPolarHBondContact OE2-CZ 3.5Å; E134-R371 IonicContact OE2-NH2 3.65Å
135	M	67.8	Low	70.2	Confident	94 Å²	94	69.7 Å²	69.7	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-59.3	-44.4	-178.4	-170.7	-178.3	82.6	0	0	110.7	D131 F132 L138 C139	D131-M135 WeakPolarHBondContact O-CB 3.4Å; D131-M135 PolarHBondContact O-N 3.06Å; F132-M135 HydrophobicContact CD1-CE 4.05Å; F132-M135 HydrophobicContact CE1-CE 4.33Å; F132-M135 PolarHBondContact O-N 2.71Å; M135-L138 PolarHBondContact O-N 3.49Å; M135-C139 WeakPolarHBondContact O-CB 3.28Å; M135-C139 PolarHBondContact O-N 2.87Å; M135-C139 PolarHBondContact O-SG 3.15Å
136	M	74	Confident	70.8	Confident	75 Å²	75	67.4 Å²	67.4	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-46.1	176.1	-70.7	-58.4	-64.2	0	0	111.5	F132 E134 L138 C139 E140 V210	F132-M136 WeakPolarHBondContact O-CB 3.32Å; F132-M136 WeakPolarHBondContact O-CG 3.46Å; F132-M136 PolarHBondContact O-N 2.89Å; E134-M136 VanDerWaalsContact C-N 3.3Å; E134-M136 PolarHBondContact O-N 2.86Å; M136-L138 VanDerWaalsContact C-N 3.33Å; M136-L138 PolarHBondContact O-N 3.38Å; M136-C139 PolarHBondContact O-N 3.13Å; M136-E140 WeakPolarHBondContact O-CB 3.28Å; M136-E140 VanDerWaalsContact O-CG 3.25Å; M136-E140 WeakPolarHBondContact O-CG 3.26Å; M136-E140 PolarHBondContact O-N 2.81Å; M136-V210 HydrophobicContact CE-CG1 3.6Å
137	R	67.8	Low	72	Confident	105 Å²	105	73.8 Å²	73.8	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-43.3	176.1	-79.4	-173.6	-71.7	173.8	3.2	112.2	P133 E134 E140 M141 E367	P133-R137 VanDerWaalsContact O-CB 3.26Å; P133-R137 WeakPolarHBondContact O-CB 3.16Å; P133-R137 WeakPolarHBondContact O-CG 3.24Å; P133-R137 PolarHBondContact O-N 3.23Å; P133-R137 PolarHBondContact O-NE 3.02Å; E134-R137 PolarHBondContact O-N 3.02Å; R137-E140 PolarHBondContact O-N 3.25Å; R137-M141 VanDerWaalsContact O-CB 3.28Å; R137-M141 WeakPolarHBondContact O-CB 3.33Å; R137-M141 PolarHBondContact O-N 2.84Å; R137-E367 IonicContact CZ-OE2 3.84Å; R137-E367 VanDerWaalsContact CZ-OE2 3.24Å; R137-E367 IonicContact NH1-OE1 3.87Å; R137-E367 PolarHBondContact NH1-OE1 3.43Å; R137-E367 IonicContact NH1-OE2 3.35Å; R137-E367 PolarHBondContact NH1-OE2 3.01Å; R137-E367 IonicContact NH2-OE2 3.54Å; R137-E367 PolarHBondContact NH2-OE2 3.18Å
138	L	73.3	Confident	73.2	Confident	82 Å²	82	73 Å²	73	43%	0.429	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-47.5	175.5	179.2	63	0	0	0	110.7	E134 M135 M136 M141 N142	E134-L138 WeakPolarHBondContact O-CB 3.27Å; E134-L138 PolarHBondContact O-N 2.82Å; M135-L138 PolarHBondContact O-N 3.49Å; M136-L138 VanDerWaalsContact C-N 3.33Å; M136-L138 PolarHBondContact O-N 3.38Å; L138-M141 HydrophobicContact CD1-CE 3.92Å; L138-M141 PolarHBondContact O-N 3.16Å; L138-N142 WeakPolarHBondContact O-CB 3.28Å; L138-N142 PolarHBondContact O-N 2.63Å; L138-N142 PolarHBondContact O-ND2 2.88Å; L138-N142 PolarHBondContact O-OD1 3.02Å
139	C	82.8	Confident	74.7	Confident	18 Å²	18	71.2 Å²	71.2	12%	0.122	34%	0.341	C	S	.	.	H	α-helix	trans	-67.7	-36.9	179.6	-67.8	0	0	0	0	112.9	M135 M136 N142 F143 V210 A211	M135-C139 WeakPolarHBondContact O-CB 3.28Å; M135-C139 PolarHBondContact O-N 2.87Å; M135-C139 PolarHBondContact O-SG 3.15Å; M136-C139 PolarHBondContact O-N 3.13Å; C139-N142 PolarHBondContact O-N 2.94Å; C139-F143 WeakPolarHBondContact O-CB 3.39Å; C139-F143 PolarHBondContact O-N 3.1Å; C139-V210 HydrophobicContact CB-CB 3.79Å; C139-V210 HydrophobicContact CB-CG1 4.16Å; C139-V210 CarbonylContact O-C 3.6Å; C139-A211 WeakPolarHBondContact CA-O 3.31Å; C139-A211 WeakPolarHBondContact CB-O 3.32Å; C139-A211 PolarHBondContact O-N 2.78Å; C139-A211 PolarHBondContact SG-O 3.47Å
140	E	77.6	Confident	76.3	Confident	98 Å²	98	69.6 Å²	69.6	46%	0.458	33%	0.33	S	S	.	.	H	α-helix	trans	-64.1	-44	172.8	-74.1	175.1	-173.7	0	0	111.4	M136 R137 F143 S144 V210	M136-E140 WeakPolarHBondContact O-CB 3.28Å; M136-E140 VanDerWaalsContact O-CG 3.25Å; M136-E140 WeakPolarHBondContact O-CG 3.26Å; M136-E140 PolarHBondContact O-N 2.81Å; R137-E140 PolarHBondContact O-N 3.25Å; E140-F143 WeakPolarHBondContact O-CB 3.35Å; E140-F143 PolarHBondContact O-N 2.82Å; E140-S144 WeakPolarHBondContact O-CB 3.44Å; E140-S144 PolarHBondContact O-N 2.8Å; E140-V210 HydrophobicContact CG-CG1 3.81Å
141	M	76.9	Confident	77.7	Confident	105 Å²	105	70.3 Å²	70.3	52%	0.517	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-47.4	175.4	-179.6	171.5	61.5	0	0	110.9	R137 L138 F143 S144 Q145	R137-M141 VanDerWaalsContact O-CB 3.28Å; R137-M141 WeakPolarHBondContact O-CB 3.33Å; R137-M141 PolarHBondContact O-N 2.84Å; L138-M141 HydrophobicContact CD1-CE 3.92Å; L138-M141 PolarHBondContact O-N 3.16Å; M141-F143 VanDerWaalsContact C-N 3.27Å; M141-F143 PolarHBondContact O-N 2.82Å; M141-S144 PolarHBondContact O-N 2.8Å; M141-Q145 HydrophobicContact CG-CG 4.38Å; M141-Q145 VanDerWaalsContact O-CG 3.31Å; M141-Q145 WeakPolarHBondContact O-CG 3.43Å; M141-Q145 PolarHBondContact O-N 2.87Å
142	N	84.4	Confident	79	Confident	41 Å²	41	81.8 Å²	81.8	22%	0.219	38%	0.375	C	S	.	.	H	α-helix	trans	-55.9	-44.3	175.2	-71.7	-17.5	0	0	0	111	L138 C139 Q145 L146 A211	L138-N142 WeakPolarHBondContact O-CB 3.28Å; L138-N142 PolarHBondContact O-N 2.63Å; L138-N142 PolarHBondContact O-ND2 2.88Å; L138-N142 PolarHBondContact O-OD1 3.02Å; C139-N142 PolarHBondContact O-N 2.94Å; N142-Q145 PolarHBondContact O-N 2.91Å; N142-L146 VanDerWaalsContact O-CB 3.25Å; N142-L146 WeakPolarHBondContact O-CB 3.32Å; N142-L146 WeakPolarHBondContact O-CG 3.41Å; N142-L146 PolarHBondContact O-N 3.31Å; N142-A211 HydrophobicContact CB-CB 3.86Å
143	F	88.2	Confident	80.2	Confident	10 Å²	10	82 Å²	82	4%	0.044	38%	0.38	C	S	.	.	H	α-helix	trans	-62.3	-48.7	178.4	-175.7	-93.7	0	0	0	111.8	C139 E140 M141 Q145 L146 R147 L204 H206 M209 V210 A211	C139-F143 WeakPolarHBondContact O-CB 3.39Å; C139-F143 PolarHBondContact O-N 3.1Å; E140-F143 WeakPolarHBondContact O-CB 3.35Å; E140-F143 PolarHBondContact O-N 2.82Å; M141-F143 VanDerWaalsContact C-N 3.27Å; M141-F143 PolarHBondContact O-N 2.82Å; F143-Q145 VanDerWaalsContact C-N 3.32Å; F143-Q145 PolarHBondContact O-N 2.87Å; F143-L146 PolarHBondContact O-N 3.49Å; F143-R147 WeakPolarHBondContact O-CB 3.37Å; F143-R147 PolarHBondContact O-N 2.9Å; F143-L204 HydrophobicContact CD2-CB 4.05Å; F143-L204 HydrophobicContact CD2-CD2 3.96Å; F143-L204 HydrophobicContact CD2-CG 4.27Å; F143-L204 HydrophobicContact CE2-CB 4.05Å; F143-L204 HydrophobicContact CE2-CD2 4.1Å; F143-H206 AromaticContact CE2-ND1 3.68Å; F143-H206 AromaticContact CZ-ND1 3.84Å; F143-M209 VanDerWaalsContact CB-O 3.26Å; F143-M209 WeakPolarHBondContact CB-O 3.45Å; F143-M209 HydrophobicContact CD1-CB 3.97Å; F143-M209 WeakPolarHBondContact CD1-O 3.46Å; F143-M209 HydrophobicContact CE1-CB 3.88Å; F143-M209 HydrophobicContact CE1-CG 4.28Å; F143-M209 VanDerWaalsContact CG-O 3.31Å; F143-M209 WeakPolarHBondContact CG-O 3.26Å; F143-M209 HydrophobicContact CZ-CB 4.42Å; F143-V210 WeakPolarHBondContact CD2-O 3.25Å; F143-A211 HydrophobicContact CB-CB 3.92Å; F143-A211 HydrophobicContact CD2-CB 4.43Å
144	S	80.4	Confident	81.6	Confident	54 Å²	54	83.9 Å²	83.9	38%	0.378	39%	0.386	S	S	.	.	H	α-helix	trans	-59.7	-42.1	179.7	-177.5	0	0	0	0	112.2	E140 M141 R148	E140-S144 WeakPolarHBondContact O-CB 3.44Å; E140-S144 PolarHBondContact O-N 2.8Å; M141-S144 PolarHBondContact O-N 2.8Å; S144-R148 WeakPolarHBondContact O-CG 3.23Å
145	Q	86.2	Confident	83.2	Confident	99 Å²	99	83 Å²	83	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-72.2	-51	178.3	-63.5	-65.3	-0.3	0	0	111.4	M141 N142 F143 R147 R148 L149	M141-Q145 HydrophobicContact CG-CG 4.38Å; M141-Q145 VanDerWaalsContact O-CG 3.31Å; M141-Q145 WeakPolarHBondContact O-CG 3.43Å; M141-Q145 PolarHBondContact O-N 2.87Å; N142-Q145 PolarHBondContact O-N 2.91Å; F143-Q145 VanDerWaalsContact C-N 3.32Å; F143-Q145 PolarHBondContact O-N 2.87Å; Q145-R147 PolarHBondContact O-N 2.92Å; Q145-R148 WeakPolarHBondContact O-CB 3.23Å; Q145-R148 PolarHBondContact O-N 2.85Å; Q145-R148 VanDerWaalsContact O-N 3.15Å; Q145-L149 PolarHBondContact O-N 3.21Å
146	L	89.6	Confident	84.5	Confident	17 Å²	17	82.6 Å²	82.6	9%	0.089	39%	0.392	C	S	.	.	H	α-helix	trans	-64.3	-39.7	-176.7	-80.7	168.3	0	0	0	112.6	N142 F143 R148 L149 L150 L171 I185 V202 L204 A211	N142-L146 VanDerWaalsContact O-CB 3.25Å; N142-L146 WeakPolarHBondContact O-CB 3.32Å; N142-L146 WeakPolarHBondContact O-CG 3.41Å; N142-L146 PolarHBondContact O-N 3.31Å; F143-L146 PolarHBondContact O-N 3.49Å; L146-R148 PolarHBondContact O-N 3.38Å; L146-L149 CarbonylContact O-C 3.47Å; L146-L149 WeakPolarHBondContact O-CA 3.18Å; L146-L149 PolarHBondContact O-N 2.89Å; L146-L150 WeakPolarHBondContact O-CG 3.24Å; L146-L150 PolarHBondContact O-N 2.91Å; L146-L171 HydrophobicContact CD2-CD2 4Å; L146-I185 HydrophobicContact CD1-CD1 4.28Å; L146-I185 HydrophobicContact CD2-CD1 3.49Å; L146-I185 VanDerWaalsContact CD2-CD1 3.49Å; L146-V202 HydrophobicContact CD1-CB 4.13Å; L146-V202 HydrophobicContact CD1-CG1 3.58Å; L146-V202 HydrophobicContact CD1-CG2 4.3Å; L146-L204 HydrophobicContact CB-CD2 4.32Å; L146-A211 HydrophobicContact CD1-CB 4.3Å
147	R	87.3	Confident	85.5	Confident	169 Å²	169	81.6 Å²	81.6	64%	0.638	40%	0.401	S	S	*	.	H	α-helix	trans	-55.3	-28.9	177.5	-177.2	176.3	173.6	178.5	0.7	112.8	F143 Q145	F143-R147 WeakPolarHBondContact O-CB 3.37Å; F143-R147 PolarHBondContact O-N 2.9Å; Q145-R147 PolarHBondContact O-N 2.92Å
148	R	87.3	Confident	86.8	Confident	176 Å²	176	80 Å²	80	66%	0.664	40%	0.398	S	S	*	.	H	α-helix	trans	-79.3	-23.7	175.6	-62.1	172.6	-176.5	175.8	0.5	113.2	S144 Q145 L146	S144-R148 WeakPolarHBondContact O-CG 3.23Å; Q145-R148 WeakPolarHBondContact O-CB 3.23Å; Q145-R148 PolarHBondContact O-N 2.85Å; Q145-R148 VanDerWaalsContact O-N 3.15Å; L146-R148 PolarHBondContact O-N 3.38Å
149	L	90.8	Very high	87.9	Confident	68 Å²	68	79.5 Å²	79.5	36%	0.356	40%	0.398	S	S	.	.	H	α-helix	trans	-96.6	-10.3	-178.1	-59.2	178.2	0	0	0	113	Q145 L146 V160 Y162 L171	Q145-L149 PolarHBondContact O-N 3.21Å; L146-L149 CarbonylContact O-C 3.47Å; L146-L149 WeakPolarHBondContact O-CA 3.18Å; L146-L149 PolarHBondContact O-N 2.89Å; L149-V160 WeakPolarHBondContact O-CG1 3.26Å; L149-Y162 VanDerWaalsContact CA-OH 3.3Å; L149-Y162 WeakPolarHBondContact CA-OH 3.45Å; L149-Y162 HydrophobicContact CB-CE2 3.98Å; L149-Y162 HydrophobicContact CD2-CE1 4.04Å; L149-Y162 HydrophobicContact CD2-CE2 4.18Å; L149-Y162 VanDerWaalsContact O-CE2 3.32Å; L149-Y162 WeakPolarHBondContact O-CE2 3.41Å; L149-Y162 PolarHBondContact O-OH 2.59Å; L149-L171 HydrophobicContact CB-CD2 3.95Å
150	L	90.8	Very high	88.5	Confident	30 Å²	30	80.3 Å²	80.3	16%	0.157	40%	0.403	C	S	.	.	S	Bend	trans	-68.6	152.6	178.2	-72.5	-176	0	0	0	112.1	L146 L171 V183 L204	L146-L150 WeakPolarHBondContact O-CG 3.24Å; L146-L150 PolarHBondContact O-N 2.91Å; L150-L171 HydrophobicContact CD2-CD2 4.49Å; L150-V183 HydrophobicContact CD2-CB 4.24Å; L150-V183 HydrophobicContact CD2-CG1 3.44Å; L150-V183 VanDerWaalsContact CD2-CG1 3.44Å; L150-V183 HydrophobicContact CD2-CG2 4.28Å; L150-L204 HydrophobicContact CD1-CD1 4.39Å; L150-L204 HydrophobicContact CD1-CD2 3.76Å
151	P	86.8	Confident	89.3	Confident	18 Å²	18	79.1 Å²	79.1	12%	0.117	41%	0.406	C	S	.	.			trans	-52.3	147.2	167.5	-22.6	32.5	0	0	0	111.4	N153 E158 V160 I173	P151-N153 PolarHBondContact O-N 2.96Å; P151-E158 HydrophobicContact CB-CB 3.93Å; P151-E158 HydrophobicContact CG-CB 4.1Å; P151-V160 HydrophobicContact CG-CB 4.17Å; P151-V160 HydrophobicContact CG-CG1 3.84Å; P151-I173 HydrophobicContact CB-CD1 4.35Å; P151-I173 HydrophobicContact CG-CD1 4.1Å; P151-I173 HydrophobicContact CG-CG1 4.14Å
152	R	86.2	Confident	90.1	Very high	266 Å²	266	77.7 Å²	77.7	100%	1.004	40%	0.395	S	S	*	.	S	Bend	trans	-65.7	-28.7	178.7	-69.2	-175.1	178.7	-172.7	0	112.9
153	N	89.2	Confident	90.4	Very high	77 Å²	77	81 Å²	81	41%	0.412	41%	0.409	S	S	.	.	S	Bend	trans	-94.6	132.3	173.7	-173	15.2	0	0	0	108.4	P151 A155 E158 I173	P151-N153 PolarHBondContact O-N 2.96Å; N153-A155 VanDerWaalsContact C-N 3.31Å; N153-E158 HydrophobicContact CB-CG 3.94Å; N153-E158 PolarHBondContact ND2-OE1 3.24Å; N153-I173 WeakPolarHBondContact O-CD1 3.35Å
154	D	88.3	Confident	90.2	Very high	108 Å²	108	84.7 Å²	84.7	58%	0.578	43%	0.432	S	S	*	.			trans	-92.4	12.2	-175.9	62.5	-9.3	0	0	0	113.2	S176	D154-S176 WeakPolarHBondContact O-CB 3.46Å; D154-S176 PolarHBondContact O-OG 3.41Å
155	A	92.4	Very high	90.4	Very high	33 Å²	33	86.4 Å²	86.4	27%	0.273	45%	0.449	S	S	.	.	S	Bend	trans	-69.6	140.3	179.9	0	0	0	0	0	112.4	N153 G157 E158	N153-A155 VanDerWaalsContact C-N 3.31Å; A155-G157 PolarHBondContact O-N 2.83Å; A155-E158 HydrophobicContact CB-CG 3.95Å; A155-E158 VanDerWaalsContact O-CB 3.3Å; A155-E158 WeakPolarHBondContact O-CB 3.34Å; A155-E158 VanDerWaalsContact O-CG 3.28Å; A155-E158 WeakPolarHBondContact O-CG 3.28Å; A155-E158 PolarHBondContact O-N 3.35Å; A155-E158 VanDerWaalsContact O-N 3.15Å
156	P	95.2	Very high	90.1	Very high	85 Å²	85	88.8 Å²	88.8	55%	0.552	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	134.1	169.6	-25.2	34.9	0	0	0	112
157	G	93.4	Very high	89.8	Confident	54 Å²	54	88.6 Å²	88.6	56%	0.557	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-10.2	-176.3	0	0	0	0	0	114.6	A155 I173	A155-G157 PolarHBondContact O-N 2.83Å; G157-I173 PolarHBondContact N-O 3.43Å
158	E	95.9	Very high	89.9	Confident	73 Å²	73	84.7 Å²	84.7	34%	0.341	46%	0.455	S	S	.	.			trans	-65.1	138.5	174.3	-73.4	-72.1	172.4	0	0	111.1	P151 N153 A155 T172 I173	P151-E158 HydrophobicContact CB-CB 3.93Å; P151-E158 HydrophobicContact CG-CB 4.1Å; N153-E158 HydrophobicContact CB-CG 3.94Å; N153-E158 PolarHBondContact ND2-OE1 3.24Å; A155-E158 HydrophobicContact CB-CG 3.95Å; A155-E158 VanDerWaalsContact O-CB 3.3Å; A155-E158 WeakPolarHBondContact O-CB 3.34Å; A155-E158 VanDerWaalsContact O-CG 3.28Å; A155-E158 WeakPolarHBondContact O-CG 3.28Å; A155-E158 PolarHBondContact O-N 3.35Å; A155-E158 VanDerWaalsContact O-N 3.15Å; E158-T172 WeakPolarHBondContact O-CA 3.44Å; E158-I173 HydrophobicContact CB-CD1 4.25Å; E158-I173 PolarHBondContact O-N 3.11Å
159	T	96	Very high	90.1	Very high	70 Å²	70	79.9 Å²	79.9	43%	0.429	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.4	-177.3	65.3	0	0	0	0	112.1	L171 T172	T159-L171 CarbonylContact C-O 3.55Å; T159-L171 WeakPolarHBondContact CA-O 3.35Å; T159-T172 HydrophobicContact CG2-CG2 3.73Å; T159-T172 WeakPolarHBondContact CG2-OG1 3.35Å
160	V	95.6	Very high	90.3	Very high	35 Å²	35	81 Å²	81	21%	0.212	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.3	169.7	60	0	0	0	0	108.4	L149 P151 Y162 R170 L171	L149-V160 WeakPolarHBondContact O-CG1 3.26Å; P151-V160 HydrophobicContact CG-CB 4.17Å; P151-V160 HydrophobicContact CG-CG1 3.84Å; V160-Y162 HydrophobicContact CB-CE2 4.35Å; V160-Y162 HydrophobicContact CG1-CE2 3.7Å; V160-Y162 HydrophobicContact CG2-CE1 4.46Å; V160-Y162 HydrophobicContact CG2-CE2 3.77Å; V160-R170 WeakPolarHBondContact O-CA 3.03Å; V160-L171 HydrophobicContact CG1-CB 3.87Å; V160-L171 PolarHBondContact N-O 3.27Å; V160-L171 PolarHBondContact O-N 2.82Å
161	S	94.8	Very high	90.5	Very high	74 Å²	74	79.9 Å²	79.9	52%	0.517	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.6	-179.6	-58	0	0	0	0	110.6	Y169	S161-Y169 CarbonylContact C-O 3.58Å; S161-Y169 WeakPolarHBondContact CA-O 3.41Å
162	Y	92.9	Very high	90.9	Very high	74 Å²	74	80.3 Å²	80.3	29%	0.29	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.3	178.9	-66	-79.1	0	0	0	110.3	L149 V160 Q168 Y169 L171	L149-Y162 VanDerWaalsContact CA-OH 3.3Å; L149-Y162 WeakPolarHBondContact CA-OH 3.45Å; L149-Y162 HydrophobicContact CB-CE2 3.98Å; L149-Y162 HydrophobicContact CD2-CE1 4.04Å; L149-Y162 HydrophobicContact CD2-CE2 4.18Å; L149-Y162 VanDerWaalsContact O-CE2 3.32Å; L149-Y162 WeakPolarHBondContact O-CE2 3.41Å; L149-Y162 PolarHBondContact O-OH 2.59Å; V160-Y162 HydrophobicContact CB-CE2 4.35Å; V160-Y162 HydrophobicContact CG1-CE2 3.7Å; V160-Y162 HydrophobicContact CG2-CE1 4.46Å; V160-Y162 HydrophobicContact CG2-CE2 3.77Å; Y162-Q168 WeakPolarHBondContact O-CA 2.96Å; Y162-Y169 PolarHBondContact N-O 3.43Å; Y162-Y169 PolarHBondContact O-N 3.25Å; Y162-L171 HydrophobicContact CD2-CD1 3.74Å; Y162-L171 HydrophobicContact CE2-CD1 4.01Å
163	Q	92	Very high	91.4	Very high	112 Å²	112	67.8 Å²	67.8	52%	0.523	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.3	166.2	-175.9	77.2	37.7	0	0	107.8	A165 A167	Q163-A165 PolarHBondContact NE2-O 2.8Å; Q163-A167 PolarHBondContact NE2-O 3.11Å
164	V	83.3	Confident	91.6	Very high	87 Å²	87	67.8 Å²	67.8	53%	0.527	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	110.7	174.7	-175.8	0	0	0	0	107.6	N166 A167 Y169	V164-N166 PolarHBondContact O-N 2.84Å; V164-A167 PolarHBondContact N-O 3Å; V164-A167 PolarHBondContact O-N 2.85Å; V164-Y169 HydrophobicContact CB-CD2 4.16Å; V164-Y169 HydrophobicContact CB-CE2 3.99Å; V164-Y169 HydrophobicContact CG2-CD2 4.05Å; V164-Y169 HydrophobicContact CG2-CE2 4.32Å
165	A	84.1	Confident	91.9	Very high	89 Å²	89	65.8 Å²	65.8	74%	0.736	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	-123.3	-170.7	0	0	0	0	0	111.1	Q163 A167	Q163-A165 PolarHBondContact NE2-O 2.8Å; A165-A167 VanDerWaalsContact C-N 3.33Å
166	N	80.4	Confident	91.9	Very high	150 Å²	150	65.9 Å²	65.9	80%	0.802	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	1.3	-178.9	-65	-19.2	0	0	0	113.9	V164 P190	V164-N166 PolarHBondContact O-N 2.84Å; N166-P190 WeakPolarHBondContact O-CD 3.28Å
167	A	83.4	Confident	91.7	Very high	12 Å²	12	64.6 Å²	64.6	10%	0.099	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150.5	-176.4	0	0	0	0	0	112.7	Q163 V164 A165 Y169 Q187 A189	Q163-A167 PolarHBondContact NE2-O 3.11Å; V164-A167 PolarHBondContact N-O 3Å; V164-A167 PolarHBondContact O-N 2.85Å; A165-A167 VanDerWaalsContact C-N 3.33Å; A167-Y169 HydrophobicContact CB-CD2 4.43Å; A167-Y169 HydrophobicContact CB-CE2 3.58Å; A167-Q187 HydrophobicContact CB-CG 4.43Å; A167-A189 CarbonylContact C-O 3.53Å; A167-A189 VanDerWaalsContact CA-O 3.24Å; A167-A189 WeakPolarHBondContact CA-O 3.21Å
168	Q	90	Very high	91.3	Very high	87 Å²	87	71.8 Å²	71.8	41%	0.407	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.3	171.8	-71.5	-179.4	-9.4	0	0	109.9	Y162 Q187 T188 A189	Y162-Q168 WeakPolarHBondContact O-CA 2.96Å; Q168-Q187 CarbonylContact O-C 3.43Å; Q168-Q187 VanDerWaalsContact O-CA 3.27Å; Q168-Q187 WeakPolarHBondContact O-CA 3.17Å; Q168-Q187 VanDerWaalsContact O-CG 3.29Å; Q168-Q187 WeakPolarHBondContact O-CG 3.46Å; Q168-T188 VanDerWaalsContact CB-OG1 3.31Å; Q168-T188 WeakPolarHBondContact CB-OG1 3.18Å; Q168-T188 PolarHBondContact O-N 3.43Å; Q168-A189 HydrophobicContact CB-CB 3.9Å; Q168-A189 HydrophobicContact CG-CB 4.13Å; Q168-A189 PolarHBondContact N-O 3.35Å; Q168-A189 PolarHBondContact O-N 3.01Å
169	Y	91.5	Very high	90.9	Very high	75 Å²	75	73.7 Å²	73.7	29%	0.294	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.3	177.1	-62.4	-89.6	0	0	0	109.7	S161 Y162 V164 A167 E186 Q187	S161-Y169 CarbonylContact C-O 3.58Å; S161-Y169 WeakPolarHBondContact CA-O 3.41Å; Y162-Y169 PolarHBondContact N-O 3.43Å; Y162-Y169 PolarHBondContact O-N 3.25Å; V164-Y169 HydrophobicContact CB-CD2 4.16Å; V164-Y169 HydrophobicContact CB-CE2 3.99Å; V164-Y169 HydrophobicContact CG2-CD2 4.05Å; V164-Y169 HydrophobicContact CG2-CE2 4.32Å; A167-Y169 HydrophobicContact CB-CD2 4.43Å; A167-Y169 HydrophobicContact CB-CE2 3.58Å; Y169-E186 CarbonylContact C-O 3.58Å; Y169-E186 WeakPolarHBondContact CA-O 3.03Å; Y169-Q187 HydrophobicContact CD1-CB 3.89Å; Y169-Q187 HydrophobicContact CD1-CG 4.29Å; Y169-Q187 HydrophobicContact CE1-CB 3.72Å; Y169-Q187 HydrophobicContact CE1-CG 3.96Å
170	R	94	Very high	90.7	Very high	92 Å²	92	71.4 Å²	71.4	35%	0.347	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.1	171.7	-176	-175.1	-59.3	145.4	-5.8	109.2	V160 I185 E186 T188	V160-R170 WeakPolarHBondContact O-CA 3.03Å; R170-I185 WeakPolarHBondContact O-CA 3.28Å; R170-E186 HydrophobicContact CB-CG 3.89Å; R170-E186 WeakPolarHBondContact CD-OE1 3.26Å; R170-E186 IonicContact CZ-OE1 2.64Å; R170-E186 PolarHBondContact N-O 3.45Å; R170-E186 IonicContact NE-OE1 2.72Å; R170-E186 IonicContact NH1-OE1 3.08Å; R170-E186 PolarHBondContact NH1-OE1 3.24Å; R170-E186 PolarHBondContact O-N 2.89Å; R170-T188 HydrophobicContact CB-CG2 3.75Å
171	L	95.1	Very high	90.6	Very high	6 Å²	6	70 Å²	70	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.6	167.6	-71.4	72.6	0	0	0	108	L146 L149 L150 T159 V160 Y162 T184 I185	L146-L171 HydrophobicContact CD2-CD2 4Å; L149-L171 HydrophobicContact CB-CD2 3.95Å; L150-L171 HydrophobicContact CD2-CD2 4.49Å; T159-L171 CarbonylContact C-O 3.55Å; T159-L171 WeakPolarHBondContact CA-O 3.35Å; V160-L171 HydrophobicContact CG1-CB 3.87Å; V160-L171 PolarHBondContact N-O 3.27Å; V160-L171 PolarHBondContact O-N 2.82Å; Y162-L171 HydrophobicContact CD2-CD1 3.74Å; Y162-L171 HydrophobicContact CE2-CD1 4.01Å; L171-T184 CarbonylContact C-O 3.54Å; L171-T184 VanDerWaalsContact CA-O 3.23Å; L171-T184 WeakPolarHBondContact CA-O 3.13Å; L171-I185 HydrophobicContact CD1-CG2 4.18Å; L171-I185 HydrophobicContact CD2-CG1 4.45Å; L171-I185 HydrophobicContact CG-CG1 4.07Å; L171-I185 HydrophobicContact CG-CG2 4.25Å
172	T	95.6	Very high	90.6	Very high	28 Å²	28	67.6 Å²	67.6	17%	0.172	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.4	177	-54	0	0	0	0	109.7	E158 T159 V174 V183 T184	E158-T172 WeakPolarHBondContact O-CA 3.44Å; T159-T172 HydrophobicContact CG2-CG2 3.73Å; T159-T172 WeakPolarHBondContact CG2-OG1 3.35Å; T172-V174 PolarHBondContact O-N 3.35Å; T172-V183 CarbonylContact O-C 3.57Å; T172-V183 VanDerWaalsContact O-CA 3.23Å; T172-V183 WeakPolarHBondContact O-CA 3.45Å; T172-T184 WeakPolarHBondContact CB-OG1 3.05Å; T172-T184 PolarHBondContact N-O 3.32Å; T172-T184 PolarHBondContact O-N 2.94Å
173	I	96	Very high	90.7	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.5	170.9	-59.6	-178.7	0	0	0	108.2	P151 N153 G157 E158 T181 V183	P151-I173 HydrophobicContact CB-CD1 4.35Å; P151-I173 HydrophobicContact CG-CD1 4.1Å; P151-I173 HydrophobicContact CG-CG1 4.14Å; N153-I173 WeakPolarHBondContact O-CD1 3.35Å; G157-I173 PolarHBondContact N-O 3.43Å; E158-I173 HydrophobicContact CB-CD1 4.25Å; E158-I173 PolarHBondContact O-N 3.11Å; I173-T181 HydrophobicContact CG2-CG2 3.94Å; I173-V183 HydrophobicContact CG1-CG1 4.08Å
174	V	94.3	Very high	90.8	Very high	76 Å²	76	60 Å²	60	46%	0.461	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-42.6	179.1	179	0	0	0	0	110.9	T172 L182 T184	T172-V174 PolarHBondContact O-N 3.35Å; V174-L182 HydrophobicContact CB-CB 4.49Å; V174-L182 HydrophobicContact CB-CD2 4.29Å; V174-L182 HydrophobicContact CB-CG 4.49Å; V174-L182 HydrophobicContact CG1-CD2 4.2Å; V174-L182 PolarHBondContact N-O 2.78Å; V174-T184 HydrophobicContact CG2-CG2 3.65Å
175	E	94.3	Very high	91.2	Very high	66 Å²	66	56.8 Å²	56.8	31%	0.308	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.2	-178.8	-168.1	-164.4	142.1	0	0	108.2	T177 T181 L182 R203	E175-T177 HydrophobicContact CG-CG2 4.11Å; E175-T177 WeakPolarHBondContact OE1-CG2 3.45Å; E175-T181 CarbonylContact O-C 3.57Å; E175-T181 WeakPolarHBondContact O-CA 3.45Å; E175-T181 WeakPolarHBondContact O-CG2 3.44Å; E175-L182 HydrophobicContact CB-CB 3.6Å; E175-L182 HydrophobicContact CB-CD2 4.44Å; E175-L182 PolarHBondContact N-O 3.45Å; E175-L182 PolarHBondContact O-N 3.27Å; E175-R203 IonicContact OE1-NH1 2.87Å; E175-R203 PolarHBondContact OE1-NH1 2.97Å; E175-R203 IonicContact OE2-CZ 2.97Å; E175-R203 IonicContact OE2-NH1 2.6Å; E175-R203 PolarHBondContact OE2-NH1 2.85Å; E175-R203 IonicContact OE2-NH2 3.6Å; E175-R203 PolarHBondContact OE2-NH2 3.37Å
176	S	92.8	Very high	91.5	Very high	36 Å²	36	55.3 Å²	55.3	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	118.3	174.4	-168.6	0	0	0	0	109.2	D154	D154-S176 WeakPolarHBondContact O-CB 3.46Å; D154-S176 PolarHBondContact O-OG 3.41Å
177	T	90.6	Very high	91.7	Very high	58 Å²	58	49.6 Å²	49.6	36%	0.356	24%	0.235	S	C	.	.			trans	-125.1	172.6	177.6	84.8	0	0	0	0	109.2	E175 Y179 T180	E175-T177 HydrophobicContact CG-CG2 4.11Å; E175-T177 WeakPolarHBondContact OE1-CG2 3.45Å; T177-Y179 PolarHBondContact O-N 3.5Å; T177-Y179 PolarHBondContact OG1-N 3.42Å; T177-T180 PolarHBondContact N-O 3.26Å; T177-T180 PolarHBondContact OG1-N 3.46Å; T177-T180 PolarHBondContact OG1-O 2.79Å; T177-T180 PolarHBondContact OG1-OG1 2.88Å
178	R	84.7	Confident	91.9	Very high	204 Å²	204	51 Å²	51	77%	0.77	24%	0.242	S	C	*	.	S	Bend	trans	-56.4	-34	177.7	-178	177.1	-179.5	-169.5	1	113.5
179	Y	87.5	Confident	91.5	Very high	113 Å²	113	48 Å²	48	44%	0.443	23%	0.232	S	C	.	.	S	Bend	trans	-113.7	-20.8	-172.3	-60.4	-70	0	0	0	112.9	T177 H206 D207	T177-Y179 PolarHBondContact O-N 3.5Å; T177-Y179 PolarHBondContact OG1-N 3.42Å; Y179-H206 PolarHBondContact O-CD2 3.38Å; Y179-H206 PolarHBondContact O-N 3.3Å; Y179-D207 HydrophobicContact CD1-CB 4.37Å
180	T	91.5	Very high	90.6	Very high	22 Å²	22	47.6 Å²	47.6	14%	0.135	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.3	-176	64.5	0	0	0	0	112.7	T177 R203 L204 Y205	T177-T180 PolarHBondContact N-O 3.26Å; T177-T180 PolarHBondContact OG1-N 3.46Å; T177-T180 PolarHBondContact OG1-O 2.79Å; T177-T180 PolarHBondContact OG1-OG1 2.88Å; T180-R203 PolarHBondContact OG1-NH1 3.11Å; T180-L204 CarbonylContact C-O 3.52Å; T180-L204 WeakPolarHBondContact CA-O 3.37Å; T180-L204 WeakPolarHBondContact CB-O 3.25Å; T180-Y205 HydrophobicContact CG2-CD1 3.7Å; T180-Y205 HydrophobicContact CG2-CE1 4.17Å; T180-Y205 HydrophobicContact CG2-CG 4.49Å
181	T	93.3	Very high	89.2	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.9	167.8	-60.8	0	0	0	0	108.9	I173 E175 V183 R203 L204 H206	I173-T181 HydrophobicContact CG2-CG2 3.94Å; E175-T181 CarbonylContact O-C 3.57Å; E175-T181 WeakPolarHBondContact O-CA 3.45Å; E175-T181 WeakPolarHBondContact O-CG2 3.44Å; T181-V183 HydrophobicContact CG2-CG1 3.79Å; T181-R203 WeakPolarHBondContact O-CA 3.45Å; T181-L204 PolarHBondContact N-O 3.21Å; T181-L204 PolarHBondContact O-N 3.46Å; T181-H206 PolarHBondContact OG1-CE1 3.34Å; T181-H206 PolarHBondContact OG1-NE2 3.28Å
182	L	95.6	Very high	87.6	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.131	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.1	171.7	-166.3	70.4	0	0	0	108.6	V174 E175 T201 R203	V174-L182 HydrophobicContact CB-CB 4.49Å; V174-L182 HydrophobicContact CB-CD2 4.29Å; V174-L182 HydrophobicContact CB-CG 4.49Å; V174-L182 HydrophobicContact CG1-CD2 4.2Å; V174-L182 PolarHBondContact N-O 2.78Å; E175-L182 HydrophobicContact CB-CB 3.6Å; E175-L182 HydrophobicContact CB-CD2 4.44Å; E175-L182 PolarHBondContact N-O 3.45Å; E175-L182 PolarHBondContact O-N 3.27Å; L182-T201 HydrophobicContact CD1-CG2 3.48Å; L182-T201 VanDerWaalsContact CD1-CG2 3.48Å; L182-T201 HydrophobicContact CD2-CG2 4.06Å; L182-T201 HydrophobicContact CG-CG2 3.69Å; L182-R203 HydrophobicContact CD1-CB 3.86Å; L182-R203 HydrophobicContact CD1-CG 4.41Å
183	V	94.4	Very high	85.5	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.1	177.3	-61.6	0	0	0	0	111.6	L150 T172 I173 T181 I185 T201 V202 L204	L150-V183 HydrophobicContact CD2-CB 4.24Å; L150-V183 HydrophobicContact CD2-CG1 3.44Å; L150-V183 VanDerWaalsContact CD2-CG1 3.44Å; L150-V183 HydrophobicContact CD2-CG2 4.28Å; T172-V183 CarbonylContact O-C 3.57Å; T172-V183 VanDerWaalsContact O-CA 3.23Å; T172-V183 WeakPolarHBondContact O-CA 3.45Å; I173-V183 HydrophobicContact CG1-CG1 4.08Å; T181-V183 HydrophobicContact CG2-CG1 3.79Å; V183-I185 HydrophobicContact CG2-CG1 4.47Å; V183-T201 CarbonylContact O-C 3.57Å; V183-T201 WeakPolarHBondContact O-CA 3.36Å; V183-V202 HydrophobicContact CG2-CB 4.04Å; V183-V202 PolarHBondContact N-O 3.31Å; V183-V202 PolarHBondContact O-N 3.19Å; V183-L204 HydrophobicContact CG1-CD1 4.25Å; V183-L204 HydrophobicContact CG2-CD1 3.74Å
184	T	94	Very high	83.4	Confident	27 Å²	27	64.7 Å²	64.7	17%	0.166	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	143	165.1	53.6	0	0	0	0	109.6	L171 T172 V174 M200	L171-T184 CarbonylContact C-O 3.54Å; L171-T184 VanDerWaalsContact CA-O 3.23Å; L171-T184 WeakPolarHBondContact CA-O 3.13Å; T172-T184 WeakPolarHBondContact CB-OG1 3.05Å; T172-T184 PolarHBondContact N-O 3.32Å; T172-T184 PolarHBondContact O-N 2.94Å; V174-T184 HydrophobicContact CG2-CG2 3.65Å; T184-M200 CarbonylContact C-O 3.58Å; T184-M200 WeakPolarHBondContact CA-O 3.43Å
185	I	91.9	Very high	81.4	Confident	19 Å²	19	67 Å²	67	10%	0.097	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.3	177.1	-49.2	174.7	0	0	0	105.5	L146 R170 L171 V183 S199 M200 V202	L146-I185 HydrophobicContact CD1-CD1 4.28Å; L146-I185 HydrophobicContact CD2-CD1 3.49Å; L146-I185 VanDerWaalsContact CD2-CD1 3.49Å; R170-I185 WeakPolarHBondContact O-CA 3.28Å; L171-I185 HydrophobicContact CD1-CG2 4.18Å; L171-I185 HydrophobicContact CD2-CG1 4.45Å; L171-I185 HydrophobicContact CG-CG1 4.07Å; L171-I185 HydrophobicContact CG-CG2 4.25Å; V183-I185 HydrophobicContact CG2-CG1 4.47Å; I185-S199 CarbonylContact O-C 3.56Å; I185-S199 VanDerWaalsContact O-CA 3.28Å; I185-S199 WeakPolarHBondContact O-CA 3.5Å; I185-M200 HydrophobicContact CB-CE 4.13Å; I185-M200 HydrophobicContact CB-CG 3.9Å; I185-M200 HydrophobicContact CD1-CE 3.38Å; I185-M200 HydrophobicContact CD1-CG 4.26Å; I185-M200 HydrophobicContact CG1-CE 4.29Å; I185-M200 HydrophobicContact CG1-CG 4.38Å; I185-M200 HydrophobicContact CG2-CE 4.22Å; I185-M200 PolarHBondContact N-O 3.2Å; I185-M200 PolarHBondContact O-N 3.46Å; I185-V202 HydrophobicContact CD1-CG2 3.69Å; I185-V202 HydrophobicContact CG1-CG2 4.44Å
186	E	90.5	Very high	79.8	Confident	57 Å²	57	68.2 Å²	68.2	27%	0.266	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.1	-175	60	-177.3	-164.3	0	0	110.2	Y169 R170 T188 P198	Y169-E186 CarbonylContact C-O 3.58Å; Y169-E186 WeakPolarHBondContact CA-O 3.03Å; R170-E186 HydrophobicContact CB-CG 3.89Å; R170-E186 WeakPolarHBondContact CD-OE1 3.26Å; R170-E186 IonicContact CZ-OE1 2.64Å; R170-E186 PolarHBondContact N-O 3.45Å; R170-E186 IonicContact NE-OE1 2.72Å; R170-E186 IonicContact NH1-OE1 3.08Å; R170-E186 PolarHBondContact NH1-OE1 3.24Å; R170-E186 PolarHBondContact O-N 2.89Å; E186-T188 HydrophobicContact CG-CG2 4.11Å; E186-P198 CarbonylContact C-O 3.52Å; E186-P198 WeakPolarHBondContact CA-O 3.48Å
187	Q	84.9	Confident	78.7	Confident	31 Å²	31	69 Å²	69	15%	0.145	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.8	163.4	-170.7	179.7	-11.7	0	0	108.1	A167 Q168 Y169 A189 L197 P198	A167-Q187 HydrophobicContact CB-CG 4.43Å; Q168-Q187 CarbonylContact O-C 3.43Å; Q168-Q187 VanDerWaalsContact O-CA 3.27Å; Q168-Q187 WeakPolarHBondContact O-CA 3.17Å; Q168-Q187 VanDerWaalsContact O-CG 3.29Å; Q168-Q187 WeakPolarHBondContact O-CG 3.46Å; Y169-Q187 HydrophobicContact CD1-CB 3.89Å; Y169-Q187 HydrophobicContact CD1-CG 4.29Å; Y169-Q187 HydrophobicContact CE1-CB 3.72Å; Y169-Q187 HydrophobicContact CE1-CG 3.96Å; Q187-A189 WeakPolarHBondContact CG-O 3.45Å; Q187-A189 PolarHBondContact NE2-O 2.92Å; Q187-L197 HydrophobicContact CB-CB 4.19Å; Q187-L197 HydrophobicContact CB-CD2 4.47Å; Q187-L197 HydrophobicContact CG-CD2 4.2Å; Q187-L197 WeakPolarHBondContact O-CB 3.35Å; Q187-L197 WeakPolarHBondContact O-CD1 3.24Å; Q187-P198 HydrophobicContact CB-CB 4.43Å; Q187-P198 HydrophobicContact CB-CG 4.5Å; Q187-P198 PolarHBondContact N-O 2.82Å; Q187-P198 VanDerWaalsContact OE1-CD 3.23Å
188	T	87.1	Confident	78	Confident	40 Å²	40	68.2 Å²	68.2	25%	0.245	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-18.5	179	59.5	0	0	0	0	112.7	Q168 R170 E186	Q168-T188 VanDerWaalsContact CB-OG1 3.31Å; Q168-T188 WeakPolarHBondContact CB-OG1 3.18Å; Q168-T188 PolarHBondContact O-N 3.43Å; R170-T188 HydrophobicContact CB-CG2 3.75Å; E186-T188 HydrophobicContact CG-CG2 4.11Å
189	A	82.2	Confident	77.9	Confident	24 Å²	24	60.6 Å²	60.6	20%	0.198	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	157.3	176	0	0	0	0	0	111.8	A167 Q168 Q187	A167-A189 CarbonylContact C-O 3.53Å; A167-A189 VanDerWaalsContact CA-O 3.24Å; A167-A189 WeakPolarHBondContact CA-O 3.21Å; Q168-A189 HydrophobicContact CB-CB 3.9Å; Q168-A189 HydrophobicContact CG-CB 4.13Å; Q168-A189 PolarHBondContact N-O 3.35Å; Q168-A189 PolarHBondContact O-N 3.01Å; Q187-A189 WeakPolarHBondContact CG-O 3.45Å; Q187-A189 PolarHBondContact NE2-O 2.92Å
190	P	72.9	Confident	77.9	Confident	67 Å²	67	58.2 Å²	58.2	44%	0.435	33%	0.325	S	S	.	.	S	Bend	cis	-72.5	140.4	-9.7	31.4	-33.7	0	0	0	110.7	N166 I192 L197	N166-P190 WeakPolarHBondContact O-CD 3.28Å; P190-I192 PolarHBondContact O-N 2.91Å; P190-I192 VanDerWaalsContact O-N 3.1Å; P190-L197 WeakPolarHBondContact O-CD2 3.36Å
191	A	64.3	Low	77.8	Confident	83 Å²	83	58.5 Å²	58.5	69%	0.686	33%	0.327	S	S	*	.			trans	-72	102.1	170.5	0	0	0	0	0	108.8
192	I	60.6	Low	77.8	Confident	102 Å²	102	58.3 Å²	58.3	52%	0.523	33%	0.325	S	S	.	.			trans	-78.8	122.6	169	-52.6	175.8	0	0	0	106.2	P190 Y194 W195	P190-I192 PolarHBondContact O-N 2.91Å; P190-I192 VanDerWaalsContact O-N 3.1Å; I192-Y194 PolarHBondContact O-N 3.1Å; I192-W195 PolarHBondContact O-N 2.8Å; I192-W195 VanDerWaalsContact O-N 3.15Å
193	S	52.7	Low	77.7	Confident	97 Å²	97	59.7 Å²	59.7	68%	0.678	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-9.1	-162.2	60.6	0	0	0	0	116.7
194	Y	52.5	Low	77.6	Confident	206 Å²	206	59.7 Å²	59.7	81%	0.808	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	3.9	-175.5	-56.7	-69.8	0	0	0	114.5	I192	I192-Y194 PolarHBondContact O-N 3.1Å
195	W	50.8	Low	77.5	Confident	124 Å²	124	61.7 Å²	61.7	47%	0.47	33%	0.334	S	S	.	.	S	Bend	trans	-121.3	142.5	-175.8	-64.5	101.2	0	0	0	112.7	I192 L197 S293	I192-W195 PolarHBondContact O-N 2.8Å; I192-W195 VanDerWaalsContact O-N 3.15Å; W195-L197 PolarHBondContact O-N 3.45Å; W195-S293 VanDerWaalsContact CH2-N 3.33Å; W195-S293 WeakPolarHBondContact CZ3-OG 3.32Å
196	S	61.9	Low	77.3	Confident	92 Å²	92	64 Å²	64	64%	0.643	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-65	123.1	156.2	51.9	0	0	0	0	108.2
197	L	69.9	Low	77.1	Confident	53 Å²	53	66.8 Å²	66.8	28%	0.277	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-58.3	136.6	174.1	-69.6	170.8	0	0	0	109.7	Q187 P190 W195 S199	Q187-L197 HydrophobicContact CB-CB 4.19Å; Q187-L197 HydrophobicContact CB-CD2 4.47Å; Q187-L197 HydrophobicContact CG-CD2 4.2Å; Q187-L197 WeakPolarHBondContact O-CB 3.35Å; Q187-L197 WeakPolarHBondContact O-CD1 3.24Å; P190-L197 WeakPolarHBondContact O-CD2 3.36Å; W195-L197 PolarHBondContact O-N 3.45Å; L197-S199 PolarHBondContact O-N 3.39Å
198	P	75.4	Confident	77	Confident	42 Å²	42	67.7 Å²	67.7	27%	0.273	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-47.1	131.3	177.3	-29.5	33.1	0	0	0	112	E186 Q187	E186-P198 CarbonylContact C-O 3.52Å; E186-P198 WeakPolarHBondContact CA-O 3.48Å; Q187-P198 HydrophobicContact CB-CB 4.43Å; Q187-P198 HydrophobicContact CB-CG 4.5Å; Q187-P198 PolarHBondContact N-O 2.82Å; Q187-P198 VanDerWaalsContact OE1-CD 3.23Å
199	S	82.4	Confident	77	Confident	44 Å²	44	71.3 Å²	71.3	31%	0.308	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	138.8	178	-177.8	0	0	0	0	109.5	I185 L197 Q217	I185-S199 CarbonylContact O-C 3.56Å; I185-S199 VanDerWaalsContact O-CA 3.28Å; I185-S199 WeakPolarHBondContact O-CA 3.5Å; L197-S199 PolarHBondContact O-N 3.39Å; S199-Q217 PolarHBondContact O-N 3.46Å
200	M	87.4	Confident	77.3	Confident	62 Å²	62	70.9 Å²	70.9	31%	0.305	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154.7	172.2	64.1	179.9	176	0	0	111.5	T184 I185 V202 V213 S215	T184-M200 CarbonylContact C-O 3.58Å; T184-M200 WeakPolarHBondContact CA-O 3.43Å; I185-M200 HydrophobicContact CB-CE 4.13Å; I185-M200 HydrophobicContact CB-CG 3.9Å; I185-M200 HydrophobicContact CD1-CE 3.38Å; I185-M200 HydrophobicContact CD1-CG 4.26Å; I185-M200 HydrophobicContact CG1-CE 4.29Å; I185-M200 HydrophobicContact CG1-CG 4.38Å; I185-M200 HydrophobicContact CG2-CE 4.22Å; I185-M200 PolarHBondContact N-O 3.2Å; I185-M200 PolarHBondContact O-N 3.46Å; M200-V202 HydrophobicContact CE-CG2 4.34Å; M200-V202 HydrophobicContact CG-CG2 4.14Å; M200-V202 HydrophobicContact SD-CG2 4.18Å; M200-V213 HydrophobicContact CB-CG1 4.29Å; M200-V213 HydrophobicContact SD-CG1 4.28Å; M200-V213 HydrophobicContact SD-CG2 4.41Å; M200-S215 CarbonylContact C-O 3.53Å; M200-S215 WeakPolarHBondContact CA-O 3.29Å; M200-S215 VanDerWaalsContact CB-O 3.26Å; M200-S215 WeakPolarHBondContact CB-O 3.27Å
201	T	90.1	Very high	78	Confident	29 Å²	29	67.7 Å²	67.7	18%	0.178	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.7	173.5	-51.3	0	0	0	0	107.8	L182 V183 V213 C214 S215	L182-T201 HydrophobicContact CD1-CG2 3.48Å; L182-T201 VanDerWaalsContact CD1-CG2 3.48Å; L182-T201 HydrophobicContact CD2-CG2 4.06Å; L182-T201 HydrophobicContact CG-CG2 3.69Å; V183-T201 CarbonylContact O-C 3.57Å; V183-T201 WeakPolarHBondContact O-CA 3.36Å; T201-V213 CarbonylContact O-C 3.51Å; T201-C214 PolarHBondContact O-N 3.41Å; T201-S215 VanDerWaalsContact CB-OG 3.23Å; T201-S215 WeakPolarHBondContact CB-OG 3.21Å; T201-S215 PolarHBondContact N-O 3.35Å; T201-S215 PolarHBondContact O-N 3.15Å; T201-S215 PolarHBondContact OG1-OG 3.28Å
202	V	91.6	Very high	79.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.6	-179	-170.9	0	0	0	0	109.2	L146 V183 I185 M200 A211 E212 V213	L146-V202 HydrophobicContact CD1-CB 4.13Å; L146-V202 HydrophobicContact CD1-CG1 3.58Å; L146-V202 HydrophobicContact CD1-CG2 4.3Å; V183-V202 HydrophobicContact CG2-CB 4.04Å; V183-V202 PolarHBondContact N-O 3.31Å; V183-V202 PolarHBondContact O-N 3.19Å; I185-V202 HydrophobicContact CD1-CG2 3.69Å; I185-V202 HydrophobicContact CG1-CG2 4.44Å; M200-V202 HydrophobicContact CE-CG2 4.34Å; M200-V202 HydrophobicContact CG-CG2 4.14Å; M200-V202 HydrophobicContact SD-CG2 4.18Å; V202-A211 HydrophobicContact CG1-CB 3.97Å; V202-E212 CarbonylContact C-O 3.51Å; V202-E212 VanDerWaalsContact CA-O 3.27Å; V202-E212 WeakPolarHBondContact CA-O 3.19Å; V202-E212 VanDerWaalsContact CG1-O 3.24Å; V202-E212 WeakPolarHBondContact CG1-O 3.13Å; V202-V213 HydrophobicContact CG2-CG2 4.22Å
203	R	93.8	Very high	80.2	Confident	54 Å²	54	65.6 Å²	65.6	20%	0.204	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.7	171.5	-173.8	168.8	-70.8	-98.3	-4.8	109.1	E175 T180 T181 L182 Y205 A211 E212 C214	E175-R203 IonicContact OE1-NH1 2.87Å; E175-R203 PolarHBondContact OE1-NH1 2.97Å; E175-R203 IonicContact OE2-CZ 2.97Å; E175-R203 IonicContact OE2-NH1 2.6Å; E175-R203 PolarHBondContact OE2-NH1 2.85Å; E175-R203 IonicContact OE2-NH2 3.6Å; E175-R203 PolarHBondContact OE2-NH2 3.37Å; T180-R203 PolarHBondContact OG1-NH1 3.11Å; T181-R203 WeakPolarHBondContact O-CA 3.45Å; L182-R203 HydrophobicContact CD1-CB 3.86Å; L182-R203 HydrophobicContact CD1-CG 4.41Å; R203-Y205 HydrophobicContact CB-CE2 4.14Å; R203-Y205 HydrophobicContact CG-CD2 4.44Å; R203-Y205 HydrophobicContact CG-CE1 4.08Å; R203-Y205 HydrophobicContact CG-CE2 3.99Å; R203-A211 CarbonylContact O-C 3.54Å; R203-A211 VanDerWaalsContact O-CA 3.32Å; R203-A211 WeakPolarHBondContact O-CA 3.44Å; R203-E212 PolarHBondContact N-O 2.94Å; R203-E212 PolarHBondContact O-N 2.82Å; R203-C214 WeakPolarHBondContact CB-SG 3.35Å
204	L	93.3	Very high	81.5	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.5	169.8	-64.6	87.7	0	0	0	108.4	F143 L146 L150 T180 T181 V183 A211	F143-L204 HydrophobicContact CD2-CB 4.05Å; F143-L204 HydrophobicContact CD2-CD2 3.96Å; F143-L204 HydrophobicContact CD2-CG 4.27Å; F143-L204 HydrophobicContact CE2-CB 4.05Å; F143-L204 HydrophobicContact CE2-CD2 4.1Å; L146-L204 HydrophobicContact CB-CD2 4.32Å; L150-L204 HydrophobicContact CD1-CD1 4.39Å; L150-L204 HydrophobicContact CD1-CD2 3.76Å; T180-L204 CarbonylContact C-O 3.52Å; T180-L204 WeakPolarHBondContact CA-O 3.37Å; T180-L204 WeakPolarHBondContact CB-O 3.25Å; T181-L204 PolarHBondContact N-O 3.21Å; T181-L204 PolarHBondContact O-N 3.46Å; V183-L204 HydrophobicContact CG1-CD1 4.25Å; V183-L204 HydrophobicContact CG2-CD1 3.74Å; L204-A211 HydrophobicContact CG-CB 4.06Å
205	Y	91.4	Very high	82.5	Confident	69 Å²	69	53.5 Å²	53.5	27%	0.271	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	103.8	173.6	-57	-92.8	0	0	0	107.9	T180 R203 D207 M209 V210 E212	T180-Y205 HydrophobicContact CG2-CD1 3.7Å; T180-Y205 HydrophobicContact CG2-CE1 4.17Å; T180-Y205 HydrophobicContact CG2-CG 4.49Å; R203-Y205 HydrophobicContact CB-CE2 4.14Å; R203-Y205 HydrophobicContact CG-CD2 4.44Å; R203-Y205 HydrophobicContact CG-CE1 4.08Å; R203-Y205 HydrophobicContact CG-CE2 3.99Å; Y205-D207 PolarHBondContact O-N 2.89Å; Y205-M209 WeakPolarHBondContact O-CA 3.49Å; Y205-M209 PolarHBondContact O-N 2.78Å; Y205-V210 HydrophobicContact CD2-CG2 3.91Å; Y205-V210 HydrophobicContact CG-CG2 4.25Å; Y205-V210 PolarHBondContact N-O 3.47Å; Y205-V210 PolarHBondContact O-N 3.34Å; Y205-E212 HydrophobicContact CE2-CB 3.85Å; Y205-E212 PolarHBondContact OH-OE2 3.2Å
206	H	88.3	Confident	83.5	Confident	68 Å²	68	49.9 Å²	49.9	32%	0.315	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-30	-167.2	-63.6	-56.4	0	0	0	113.8	F143 Y179 T181	F143-H206 AromaticContact CE2-ND1 3.68Å; F143-H206 AromaticContact CZ-ND1 3.84Å; Y179-H206 PolarHBondContact O-CD2 3.38Å; Y179-H206 PolarHBondContact O-N 3.3Å; T181-H206 PolarHBondContact OG1-CE1 3.34Å; T181-H206 PolarHBondContact OG1-NE2 3.28Å
207	D	85.1	Confident	83.5	Confident	115 Å²	115	48.8 Å²	48.8	62%	0.615	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-39.8	177.9	57.9	-22.2	0	0	0	112.3	Y179 Y205	Y179-D207 HydrophobicContact CD1-CB 4.37Å; Y205-D207 PolarHBondContact O-N 2.89Å
208	A	82.8	Confident	82.8	Confident	50 Å²	50	54.3 Å²	54.3	41%	0.413	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-14	173.9	0	0	0	0	0	113.3	V210	A208-V210 VanDerWaalsContact C-N 3.28Å; A208-V210 HydrophobicContact CB-CG2 3.7Å; A208-V210 PolarHBondContact O-N 3.43Å
209	M	87.4	Confident	81.4	Confident	115 Å²	115	55.6 Å²	55.6	57%	0.567	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	39.2	-175.1	-52.7	-175	-56.8	0	0	113.4	F143 Y205	F143-M209 VanDerWaalsContact CB-O 3.26Å; F143-M209 WeakPolarHBondContact CB-O 3.45Å; F143-M209 HydrophobicContact CD1-CB 3.97Å; F143-M209 WeakPolarHBondContact CD1-O 3.46Å; F143-M209 HydrophobicContact CE1-CB 3.88Å; F143-M209 HydrophobicContact CE1-CG 4.28Å; F143-M209 VanDerWaalsContact CG-O 3.31Å; F143-M209 WeakPolarHBondContact CG-O 3.26Å; F143-M209 HydrophobicContact CZ-CB 4.42Å; Y205-M209 WeakPolarHBondContact O-CA 3.49Å; Y205-M209 PolarHBondContact O-N 2.78Å
210	V	88.1	Confident	79.6	Confident	15 Å²	15	60.6 Å²	60.6	9%	0.091	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.9	-179.2	-65.2	0	0	0	0	111.4	M136 C139 E140 F143 Y205 A208	M136-V210 HydrophobicContact CE-CG1 3.6Å; C139-V210 HydrophobicContact CB-CB 3.79Å; C139-V210 HydrophobicContact CB-CG1 4.16Å; C139-V210 CarbonylContact O-C 3.6Å; E140-V210 HydrophobicContact CG-CG1 3.81Å; F143-V210 WeakPolarHBondContact CD2-O 3.25Å; Y205-V210 HydrophobicContact CD2-CG2 3.91Å; Y205-V210 HydrophobicContact CG-CG2 4.25Å; Y205-V210 PolarHBondContact N-O 3.47Å; Y205-V210 PolarHBondContact O-N 3.34Å; A208-V210 VanDerWaalsContact C-N 3.28Å; A208-V210 HydrophobicContact CB-CG2 3.7Å; A208-V210 PolarHBondContact O-N 3.43Å
211	A	89	Confident	77.2	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.2	175.5	0	0	0	0	0	110.7	C139 N142 F143 L146 V202 R203 L204	C139-A211 WeakPolarHBondContact CA-O 3.31Å; C139-A211 WeakPolarHBondContact CB-O 3.32Å; C139-A211 PolarHBondContact O-N 2.78Å; C139-A211 PolarHBondContact SG-O 3.47Å; N142-A211 HydrophobicContact CB-CB 3.86Å; F143-A211 HydrophobicContact CB-CB 3.92Å; F143-A211 HydrophobicContact CD2-CB 4.43Å; L146-A211 HydrophobicContact CD1-CB 4.3Å; V202-A211 HydrophobicContact CG1-CB 3.97Å; R203-A211 CarbonylContact O-C 3.54Å; R203-A211 VanDerWaalsContact O-CA 3.32Å; R203-A211 WeakPolarHBondContact O-CA 3.44Å; L204-A211 HydrophobicContact CG-CB 4.06Å
212	E	87.2	Confident	74.8	Confident	88 Å²	88	74.5 Å²	74.5	41%	0.411	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.7	-177.9	-179	-170.9	-170.8	0	0	109.9	V202 R203 Y205 C214	V202-E212 CarbonylContact C-O 3.51Å; V202-E212 VanDerWaalsContact CA-O 3.27Å; V202-E212 WeakPolarHBondContact CA-O 3.19Å; V202-E212 VanDerWaalsContact CG1-O 3.24Å; V202-E212 WeakPolarHBondContact CG1-O 3.13Å; R203-E212 PolarHBondContact N-O 2.94Å; R203-E212 PolarHBondContact O-N 2.82Å; Y205-E212 HydrophobicContact CE2-CB 3.85Å; Y205-E212 PolarHBondContact OH-OE2 3.2Å; E212-C214 PolarHBondContact O-N 3.42Å; E212-C214 VanDerWaalsContact O-N 3.16Å
213	V	83.1	Confident	72.1	Confident	54 Å²	54	79.6 Å²	79.6	33%	0.327	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	98.6	169.1	-177.3	0	0	0	0	108.1	M200 T201 V202 S215	M200-V213 HydrophobicContact CB-CG1 4.29Å; M200-V213 HydrophobicContact SD-CG1 4.28Å; M200-V213 HydrophobicContact SD-CG2 4.41Å; T201-V213 CarbonylContact O-C 3.51Å; V202-V213 HydrophobicContact CG2-CG2 4.22Å; V213-S215 VanDerWaalsContact C-N 3.34Å
214	C	80.7	Confident	69.4	Low	36 Å²	36	80.6 Å²	80.6	24%	0.243	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-30.4	-178.7	-55.6	0	0	0	0	112.7	T201 R203 E212 F220	T201-C214 PolarHBondContact O-N 3.41Å; R203-C214 WeakPolarHBondContact CB-SG 3.35Å; E212-C214 PolarHBondContact O-N 3.42Å; E212-C214 VanDerWaalsContact O-N 3.16Å; C214-F220 WeakPolarHBondContact O-CD1 3.31Å
215	S	73.6	Confident	67.1	Low	13 Å²	13	88.8 Å²	88.8	9%	0.091	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	144	176.7	70.4	0	0	0	0	111.3	M200 T201 V213 I219 F220	M200-S215 CarbonylContact C-O 3.53Å; M200-S215 WeakPolarHBondContact CA-O 3.29Å; M200-S215 VanDerWaalsContact CB-O 3.26Å; M200-S215 WeakPolarHBondContact CB-O 3.27Å; T201-S215 VanDerWaalsContact CB-OG 3.23Å; T201-S215 WeakPolarHBondContact CB-OG 3.21Å; T201-S215 PolarHBondContact N-O 3.35Å; T201-S215 PolarHBondContact O-N 3.15Å; T201-S215 PolarHBondContact OG1-OG 3.28Å; V213-S215 VanDerWaalsContact C-N 3.34Å; S215-I219 VanDerWaalsContact CA-O 3.28Å; S215-I219 WeakPolarHBondContact CA-O 3.4Å; S215-F220 VanDerWaalsContact CB-CE1 3.44Å
216	S	70.7	Confident	65.2	Low	48 Å²	48	89.9 Å²	89.9	34%	0.336	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.3	166.7	-176.6	0	0	0	0	109.1	Q218 I219	S216-Q218 PolarHBondContact O-N 2.84Å; S216-I219 PolarHBondContact N-O 3.1Å; S216-I219 VanDerWaalsContact N-O 3.1Å; S216-I219 VanDerWaalsContact O-CB 3.28Å; S216-I219 WeakPolarHBondContact O-CB 3.15Å; S216-I219 WeakPolarHBondContact O-CG1 3.39Å; S216-I219 PolarHBondContact O-N 2.83Å
217	Q	63.3	Low	64.2	Low	69 Å²	69	88.2 Å²	88.2	32%	0.322	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	33.6	-176.9	-60.4	178.8	-19.1	0	0	113.7	S199 I219	S199-Q217 PolarHBondContact O-N 3.46Å; Q217-I219 VanDerWaalsContact C-N 3.34Å
218	Q	53.3	Low	63.4	Low	168 Å²	168	85.6 Å²	85.6	79%	0.785	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	12.2	-173.9	-46.2	-178.7	-14.5	0	0	116.2	S216 F220	S216-Q218 PolarHBondContact O-N 2.84Å; Q218-F220 HydrophobicContact CB-CE2 4.36Å; Q218-F220 WeakPolarHBondContact O-CD2 3.42Å; Q218-F220 WeakPolarHBondContact O-CE2 3.19Å
219	I	47.6	Very low	62.6	Low	69 Å²	69	84.3 Å²	84.3	35%	0.354	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-88	125	170	-54.6	172.6	0	0	0	109	S215 S216 Q217	S215-I219 VanDerWaalsContact CA-O 3.28Å; S215-I219 WeakPolarHBondContact CA-O 3.4Å; S216-I219 PolarHBondContact N-O 3.1Å; S216-I219 VanDerWaalsContact N-O 3.1Å; S216-I219 VanDerWaalsContact O-CB 3.28Å; S216-I219 WeakPolarHBondContact O-CB 3.15Å; S216-I219 WeakPolarHBondContact O-CG1 3.39Å; S216-I219 PolarHBondContact O-N 2.83Å; Q217-I219 VanDerWaalsContact C-N 3.34Å
220	F	44.5	Very low	61.2	Low	150 Å²	150	84.6 Å²	84.6	66%	0.658	42%	0.42	S	S	*	.			trans	-116.3	-2.1	-172.7	-61.9	-88.5	0	0	0	115.1	C214 S215 Q218	C214-F220 WeakPolarHBondContact O-CD1 3.31Å; S215-F220 VanDerWaalsContact CB-CE1 3.44Å; Q218-F220 HydrophobicContact CB-CE2 4.36Å; Q218-F220 WeakPolarHBondContact O-CD2 3.42Å; Q218-F220 WeakPolarHBondContact O-CE2 3.19Å
221	R	35.7	Very low	59.7	Low	213 Å²	213	86 Å²	86	80%	0.804	43%	0.427	S	S	*	.			trans	-140.4	133.4	-177	-83.8	-178.4	175	168.3	-3.3	112.3
222	F	40.9	Very low	57.6	Low	169 Å²	169	90.6 Å²	90.6	74%	0.741	47%	0.465	S	S	*	.			trans	-96.8	122.8	161.8	-67.6	-84.5	0	0	0	108.8	Y324	F222-Y324 HydrophobicContact CD1-CE1 4.44Å
223	K	34.1	Very low	55.8	Low	107 Å²	107	89.1 Å²	89.1	47%	0.465	47%	0.473	S	S	.	.			trans	-97.6	103.1	167.7	-83.3	-176.2	178	172.2	0	108.2	R225	K223-R225 PolarHBondContact O-N 2.82Å
224	A	38.5	Very low	54.3	Low	75 Å²	75	95.3 Å²	95.3	62%	0.62	50%	0.499	S	S	*	.			trans	-73.5	111	163.6	0	0	0	0	0	108.1	Y128	Y128-A224 HydrophobicContact CE2-CB 3.96Å
225	R	43.6	Very low	53.6	Low	174 Å²	174	95.8 Å²	95.8	66%	0.657	51%	0.506	S	S	*	.			trans	-107.1	118	167.3	-79.8	-173.7	167.9	-179.4	-2.2	108.5	K223 L227 A335	K223-R225 PolarHBondContact O-N 2.82Å; R225-L227 PolarHBondContact O-N 2.75Å; R225-A335 WeakPolarHBondContact O-CB 3.32Å
226	L	50.9	Low	54.1	Low	92 Å²	92	101.5 Å²	101.5	48%	0.482	53%	0.525	S	S	.	.			trans	-66.3	123	158.2	-174.5	76.2	0	0	0	107	F339	L226-F339 HydrophobicContact CD1-CD2 3.98Å; L226-F339 HydrophobicContact CD1-CE2 3.88Å; L226-F339 HydrophobicContact CD2-CD2 4Å; L226-F339 HydrophobicContact CD2-CE2 4.04Å; L226-F339 HydrophobicContact CG-CD2 4.25Å; L226-F339 HydrophobicContact CG-CE2 4.44Å
227	L	67.5	Low	55.1	Low	33 Å²	33	99.4 Å²	99.4	17%	0.173	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.4	172.1	-175.1	66.3	0	0	0	108.5	R225 L280 P309 V311 A335 V338 F339	R225-L227 PolarHBondContact O-N 2.75Å; L227-L280 HydrophobicContact CD2-CD1 4.11Å; L227-P309 HydrophobicContact CD2-CB 4.36Å; L227-V311 HydrophobicContact CD2-CG1 3.65Å; L227-A335 HydrophobicContact CB-CB 3.91Å; L227-V338 HydrophobicContact CB-CG1 4.39Å; L227-V338 HydrophobicContact CB-CG2 4.38Å; L227-V338 HydrophobicContact CD2-CG1 4.1Å; L227-V338 HydrophobicContact CD2-CG2 4.19Å; L227-V338 HydrophobicContact CG-CG1 4.21Å; L227-V338 WeakPolarHBondContact O-CA 3.3Å; L227-F339 PolarHBondContact O-N 3.06Å; L227-F339 VanDerWaalsContact O-N 3.12Å
228	T	68.2	Low	56.6	Low	60 Å²	60	98.6 Å²	98.6	37%	0.368	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.1	170.2	-54.2	0	0	0	0	107.9	P230 F339	T228-P230 VanDerWaalsContact O-CD 3.24Å; T228-P230 WeakPolarHBondContact O-CD 3.17Å; T228-F339 HydrophobicContact CG2-CB 4.39Å
229	L	67.4	Low	58.7	Low	22 Å²	22	90.6 Å²	90.6	12%	0.115	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	103.7	168.2	-67.2	177	0	0	0	108.1	L231 L280 P309 V338 F339 I340 G341	L229-L231 PolarHBondContact O-N 3.4Å; L229-L280 HydrophobicContact CD1-CB 3.96Å; L229-L280 HydrophobicContact CD1-CD1 4.19Å; L229-L280 HydrophobicContact CD1-CD2 4.43Å; L229-L280 HydrophobicContact CD1-CG 4.42Å; L229-P309 HydrophobicContact CD2-CG 3.7Å; L229-V338 HydrophobicContact CD1-CG1 4.29Å; L229-V338 HydrophobicContact CG-CG1 4.3Å; L229-F339 PolarHBondContact N-O 2.88Å; L229-I340 HydrophobicContact CD1-CG1 4.27Å; L229-G341 PolarHBondContact O-N 2.92Å
230	P	57.4	Low	61.1	Low	121 Å²	121	87.3 Å²	87.3	79%	0.786	45%	0.45	S	S	*	.			trans	-68.8	117.9	175.4	28.4	-32.2	0	0	0	108.9	T228	T228-P230 VanDerWaalsContact O-CD 3.24Å; T228-P230 WeakPolarHBondContact O-CD 3.17Å
231	L	56.2	Low	63.7	Low	45 Å²	45	80.1 Å²	80.1	24%	0.236	42%	0.419	C	S	.	.			trans	-101.1	142	172.3	-67.3	167.5	0	0	0	110.3	L229 G233 V237 I340	L229-L231 PolarHBondContact O-N 3.4Å; L231-G233 PolarHBondContact O-N 3.05Å; L231-V237 HydrophobicContact CD1-CG2 3.23Å; L231-V237 HydrophobicContact CD2-CG2 3.52Å; L231-V237 HydrophobicContact CG-CG2 3.95Å; L231-I340 HydrophobicContact CD1-CG2 3.61Å
232	A	45.3	Very low	66.7	Low	96 Å²	96	70 Å²	70	79%	0.793	38%	0.38	S	S	*	.			trans	-85.4	99.3	168	0	0	0	0	0	109.8
233	G	49.2	Very low	69.4	Low	57 Å²	57	62 Å²	62	59%	0.588	35%	0.345	S	S	*	.	S	Bend	trans	71.2	-147.3	168.8	0	0	0	0	0	115.8	L231 A235	L231-G233 PolarHBondContact O-N 3.05Å; G233-A235 PolarHBondContact O-N 2.81Å
234	E	52.4	Low	72.5	Confident	184 Å²	184	56.9 Å²	56.9	86%	0.86	32%	0.323	S	S	*	.	S	Bend	trans	-71	27.3	-179	-63.6	-176.8	165.4	0	0	114	R236	E234-R236 PolarHBondContact O-N 2.92Å
235	A	65	Low	75.4	Confident	47 Å²	47	53.3 Å²	53.3	39%	0.388	29%	0.294	S	S	.	.			trans	-71.4	125.5	-178.1	0	0	0	0	0	111	G233	G233-A235 PolarHBondContact O-N 2.81Å
236	R	84.6	Confident	77.9	Confident	133 Å²	133	45 Å²	45	50%	0.502	26%	0.262	S	S	.	.			trans	-56.7	145.6	165.7	63.7	-179.1	178	167.6	-1.9	110.4	E234 E469 L470	E234-R236 PolarHBondContact O-N 2.92Å; R236-E469 IonicContact NH1-OE1 3.09Å; R236-E469 PolarHBondContact NH1-OE1 3.48Å; R236-E469 IonicContact NH1-OE2 3.64Å; R236-E469 PolarHBondContact NH1-OE2 3.41Å; R236-L470 WeakPolarHBondContact CA-O 3.27Å
237	V	91.6	Very high	80.2	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.6	177.7	179.8	0	0	0	0	110.5	L231 I239 D279 I340 E469 L470	L231-V237 HydrophobicContact CD1-CG2 3.23Å; L231-V237 HydrophobicContact CD2-CG2 3.52Å; L231-V237 HydrophobicContact CG-CG2 3.95Å; V237-I239 HydrophobicContact CG1-CG1 4.36Å; V237-D279 WeakPolarHBondContact CA-OD2 3.44Å; V237-D279 HydrophobicContact CG1-CB 3.81Å; V237-I340 HydrophobicContact CB-CG2 3.96Å; V237-I340 HydrophobicContact CG1-CD1 4.21Å; V237-I340 HydrophobicContact CG1-CG2 4.04Å; V237-I340 HydrophobicContact CG2-CG2 3.35Å; V237-E469 CarbonylContact O-C 3.53Å; V237-E469 VanDerWaalsContact O-CA 3.27Å; V237-E469 WeakPolarHBondContact O-CA 3.46Å; V237-L470 HydrophobicContact CB-CB 4.35Å; V237-L470 PolarHBondContact N-O 3.46Å; V237-L470 VanDerWaalsContact N-O 3.1Å; V237-L470 PolarHBondContact O-N 3.25Å
238	R	94.9	Very high	81.7	Confident	52 Å²	52	40.4 Å²	40.4	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.5	-179.6	-77.3	-179.9	161.1	-162	-15.3	111.2	E277 F278 D279 L280 L468 E469	R238-E277 WeakPolarHBondContact CB-O 3.44Å; R238-E277 WeakPolarHBondContact CD-O 3.48Å; R238-E277 IonicContact CZ-OE2 2.84Å; R238-E277 IonicContact NH1-OE2 2.8Å; R238-E277 PolarHBondContact NH1-OE2 2.84Å; R238-F278 HydrophobicContact CB-CD1 4.36Å; R238-D279 PolarHBondContact N-OD2 2.87Å; R238-D279 PolarHBondContact O-N 3.27Å; R238-L280 PolarHBondContact O-N 2.76Å; R238-L468 CarbonylContact C-O 3.59Å; R238-L468 WeakPolarHBondContact CA-O 3.48Å; R238-E469 HydrophobicContact CG-CG 4.06Å; R238-E469 IonicContact CZ-OE1 3.88Å; R238-E469 IonicContact NE-OE1 3.76Å; R238-E469 PolarHBondContact NE-OE1 2.79Å; R238-E469 IonicContact NH2-OE1 2.94Å; R238-E469 PolarHBondContact NH2-OE1 2.94Å
239	I	97.6	Very high	83	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.5	-178.5	-56.3	171.9	0	0	0	109	V237 L280 V282 I340 I346 L382 T467 L468 L470	V237-I239 HydrophobicContact CG1-CG1 4.36Å; I239-L280 WeakPolarHBondContact CA-O 3.21Å; I239-L280 HydrophobicContact CG1-CB 4.34Å; I239-V282 HydrophobicContact CG2-CB 4.35Å; I239-V282 HydrophobicContact CG2-CG1 3.75Å; I239-V282 HydrophobicContact CG2-CG2 3.71Å; I239-I340 HydrophobicContact CD1-CD1 4.38Å; I239-I346 HydrophobicContact CD1-CD1 3.6Å; I239-L382 HydrophobicContact CD1-CD2 4.08Å; I239-T467 CarbonylContact O-C 3.55Å; I239-T467 WeakPolarHBondContact O-CA 3.41Å; I239-L468 HydrophobicContact CB-CB 4.31Å; I239-L468 HydrophobicContact CB-CD1 4.23Å; I239-L468 HydrophobicContact CG2-CD1 4.2Å; I239-L468 PolarHBondContact N-O 3.5Å; I239-L468 PolarHBondContact O-N 3.23Å; I239-L470 HydrophobicContact CD1-CD1 3.63Å; I239-L470 HydrophobicContact CD1-CD2 4.39Å; I239-L470 HydrophobicContact CD1-CG 3.88Å
240	L	98.3	Very high	84.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122	169.8	173.8	65	0	0	0	109.5	I242 I271 F278 L280 I281 V282 F306 W465 T467	L240-I242 HydrophobicContact CD2-CD1 4.04Å; L240-I242 HydrophobicContact CD2-CG1 4.34Å; L240-I242 HydrophobicContact CG-CD1 4.43Å; L240-I242 HydrophobicContact CG-CG1 4.19Å; L240-I271 HydrophobicContact CD1-CD1 4Å; L240-I271 HydrophobicContact CD1-CG2 4.31Å; L240-I271 HydrophobicContact CD2-CD1 4.18Å; L240-I271 HydrophobicContact CD2-CG2 3.77Å; L240-F278 HydrophobicContact CB-CD1 3.8Å; L240-F278 HydrophobicContact CB-CD2 4.31Å; L240-F278 HydrophobicContact CB-CE1 4.07Å; L240-F278 HydrophobicContact CB-CG 3.94Å; L240-F278 HydrophobicContact CB-CZ 4.45Å; L240-F278 HydrophobicContact CD1-CE1 4.48Å; L240-F278 HydrophobicContact CD1-CZ 4.3Å; L240-F278 HydrophobicContact CD2-CD2 4.26Å; L240-F278 HydrophobicContact CD2-CE2 4.29Å; L240-L280 PolarHBondContact N-O 3.17Å; L240-I281 HydrophobicContact CB-CG1 4.35Å; L240-I281 HydrophobicContact CD2-CD1 4.37Å; L240-I281 HydrophobicContact CD2-CG1 4.21Å; L240-I281 CarbonylContact O-C 3.5Å; L240-I281 WeakPolarHBondContact O-CA 3.39Å; L240-V282 PolarHBondContact O-N 2.93Å; L240-F306 HydrophobicContact CD2-CE1 4.43Å; L240-W465 VanDerWaalsContact CD1-CD1 3.5Å; L240-W465 HydrophobicContact CD1-CG 4.24Å; L240-T467 HydrophobicContact CD1-CG2 4.35Å
241	Q	98.6	Very high	86.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.9	170.4	-176.9	-172.6	7.9	0	0	110.6	V282 T284 L422 C423 T442 R466 L468	Q241-V282 WeakPolarHBondContact CA-O 3.49Å; Q241-V282 HydrophobicContact CB-CG2 3.78Å; Q241-V282 HydrophobicContact CG-CG2 4.01Å; Q241-T284 HydrophobicContact CG-CG2 4.28Å; Q241-T284 PolarHBondContact NE2-OG1 2.8Å; Q241-L422 HydrophobicContact CB-CD2 4.33Å; Q241-L422 HydrophobicContact CG-CD2 4.26Å; Q241-C423 PolarHBondContact NE2-O 3.37Å; Q241-T442 VanDerWaalsContact CD-OG1 3.28Å; Q241-T442 HydrophobicContact CG-CG2 4.25Å; Q241-T442 PolarHBondContact OE1-OG1 2.84Å; Q241-R466 HydrophobicContact CB-CB 4.36Å; Q241-R466 PolarHBondContact N-O 2.92Å; Q241-R466 PolarHBondContact O-N 2.98Å; Q241-L468 HydrophobicContact CB-CD1 4.31Å
242	I	98.5	Very high	88.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132	169.3	-66.6	174.1	0	0	0	106.8	L240 T245 Y264 L268 I281 V282 A283 T284 F299 I303 T445	L240-I242 HydrophobicContact CD2-CD1 4.04Å; L240-I242 HydrophobicContact CD2-CG1 4.34Å; L240-I242 HydrophobicContact CG-CD1 4.43Å; L240-I242 HydrophobicContact CG-CG1 4.19Å; I242-T245 HydrophobicContact CG2-CG2 3.67Å; I242-Y264 HydrophobicContact CG2-CE2 4.2Å; I242-L268 HydrophobicContact CD1-CD2 3.72Å; I242-I281 HydrophobicContact CD1-CG2 4.29Å; I242-V282 PolarHBondContact N-O 3.33Å; I242-A283 VanDerWaalsContact O-CA 3.25Å; I242-A283 WeakPolarHBondContact O-CA 3.42Å; I242-T284 PolarHBondContact O-N 3.48Å; I242-F299 HydrophobicContact CG2-CE2 4.12Å; I242-I303 HydrophobicContact CD1-CD1 3.83Å; I242-T445 HydrophobicContact CG2-CG2 3.87Å
243	T	98.6	Very high	90.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.224	C	C	.	.			trans	-151.1	154.4	-174.7	-164.2	0	0	0	0	110.8	T245 T284 G424 T442 T445	T243-T245 PolarHBondContact O-N 3.4Å; T243-T284 WeakPolarHBondContact CB-OG1 3.34Å; T243-T284 PolarHBondContact OG1-OG1 2.75Å; T243-G424 WeakPolarHBondContact OG1-CA 3.48Å; T243-T442 HydrophobicContact CG2-CG2 3.88Å; T243-T445 PolarHBondContact O-N 3.36Å
244	D	98.3	Very high	92.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.			trans	56.3	50.7	170.9	-55.3	-97.6	0	0	0	111.6	H246 G285 D286 H386 G424 H425 H427 S444 C446	D244-H246 PolarHBondContact O-CD2 3.09Å; D244-G285 PolarHBondContact N-O 3.22Å; D244-D286 CarbonylContact C-O 3.58Å; D244-D286 WeakPolarHBondContact CA-O 3.42Å; D244-D286 HydrophobicContact CB-CB 4.39Å; D244-H386 IonicContact OD1-CE1 2.75Å; D244-G424 WeakPolarHBondContact OD2-CA 3.45Å; D244-H425 VanDerWaalsContact CG-N 3.33Å; D244-H425 WeakPolarHBondContact OD1-CA 3.09Å; D244-H425 PolarHBondContact OD1-N 2.97Å; D244-H425 PolarHBondContact OD2-N 2.81Å; D244-H427 IonicContact OD1-CD2 3.95Å; D244-H427 IonicContact OD1-NE2 3.36Å; D244-H427 PolarHBondContact OD1-NE2 3.38Å; D244-S444 WeakPolarHBondContact O-CB 3.46Å; D244-C446 PolarHBondContact O-SG 3.16Å; D244-C446 VanDerWaalsContact O-SG 3.34Å
245	T	98.4	Very high	94.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.			trans	-76.6	-26.8	-178.3	61.3	0	0	0	0	112.4	I242 T243 L247 Y264 D286 L287 F299 T445	I242-T245 HydrophobicContact CG2-CG2 3.67Å; T243-T245 PolarHBondContact O-N 3.4Å; T245-L247 VanDerWaalsContact C-N 3.25Å; T245-L247 PolarHBondContact O-N 2.89Å; T245-Y264 HydrophobicContact CG2-CD2 3.8Å; T245-Y264 HydrophobicContact CG2-CE2 3.97Å; T245-D286 PolarHBondContact N-O 3.47Å; T245-L287 HydrophobicContact CG2-CD2 4.45Å; T245-L287 VanDerWaalsContact OG1-CA 3.26Å; T245-L287 WeakPolarHBondContact OG1-CA 3.46Å; T245-L287 PolarHBondContact OG1-O 2.92Å; T245-F299 HydrophobicContact CG2-CD2 4.17Å; T245-F299 HydrophobicContact CG2-CE2 4.21Å; T245-T445 WeakPolarHBondContact CA-OG1 3.47Å; T245-T445 HydrophobicContact CG2-CG2 4.19Å; T245-T445 WeakPolarHBondContact CG2-OG1 3.38Å
246	H	98	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.			trans	49.6	43.6	174.5	-71	-66.2	0	0	0	113.9	D244 F248 L255 T260 D286 L287 Q289 H317 H427 Y497	D244-H246 PolarHBondContact O-CD2 3.09Å; H246-F248 WeakPolarHBondContact O-CD2 3.5Å; H246-F248 WeakPolarHBondContact O-CE2 3.45Å; H246-L255 HydrophobicContact CB-CD2 3.6Å; H246-T260 HydrophobicContact CB-CG2 4.2Å; H246-T260 VanDerWaalsContact O-CB 3.24Å; H246-T260 WeakPolarHBondContact O-CB 3.29Å; H246-T260 VanDerWaalsContact O-CG2 3.31Å; H246-T260 WeakPolarHBondContact O-CG2 3.31Å; H246-T260 PolarHBondContact O-OG1 2.91Å; H246-D286 VanDerWaalsContact CE1-CB 3.5Å; H246-D286 WeakPolarHBondContact CE1-CB 3.49Å; H246-D286 IonicContact CE1-OD2 3.92Å; H246-D286 PolarHBondContact CE1-OD2 3.12Å; H246-D286 PolarHBondContact N-O 3.46Å; H246-D286 IonicContact NE2-OD2 2.68Å; H246-L287 PolarHBondContact N-O 2.85Å; H246-Q289 HydrophobicContact CB-CB 4.11Å; H246-Q289 PolarHBondContact ND1-OE1 2.95Å; H246-H317 AromaticContact CE1-CD2 3.78Å; H246-H317 AromaticContact CE1-CG 3.78Å; H246-H427 AromaticContact CD2-CE1 3.56Å; H246-H427 AromaticContact CD2-NE2 3.69Å; H246-H427 AromaticContact NE2-CE1 3.49Å; H246-H427 PolarHBondContact NE2-CE1 2.68Å; H246-H427 AromaticContact NE2-NE2 3.19Å; H246-H427 PolarHBondContact NE2-NE2 2.99Å; H246-H427 VanDerWaalsContact NE2-NE2 3.19Å; H246-Y497 PolarHBondContact CE1-OH 2.75Å; H246-Y497 PolarHBondContact NE2-OH 3.18Å
247	L	98.5	Very high	96.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-72	154.5	-179.3	-63.1	176.3	0	0	0	110.8	T245 W261 Y264 L287 A288 Q289 A295 H298 F299	T245-L247 VanDerWaalsContact C-N 3.25Å; T245-L247 PolarHBondContact O-N 2.89Å; L247-W261 HydrophobicContact CD2-CB 4.46Å; L247-W261 HydrophobicContact CD2-CE3 4.4Å; L247-Y264 HydrophobicContact CD1-CD1 3.97Å; L247-Y264 HydrophobicContact CD1-CE1 4.12Å; L247-Y264 HydrophobicContact CD1-CG 4.48Å; L247-Y264 HydrophobicContact CD2-CD1 4.11Å; L247-Y264 HydrophobicContact CD2-CG 4.21Å; L247-L287 WeakPolarHBondContact CB-O 3.38Å; L247-L287 PolarHBondContact N-O 3.05Å; L247-A288 CarbonylContact O-C 3.57Å; L247-A288 WeakPolarHBondContact O-CA 3.41Å; L247-Q289 PolarHBondContact O-N 3.32Å; L247-A295 HydrophobicContact CB-CB 4.04Å; L247-A295 WeakPolarHBondContact O-CB 3.47Å; L247-H298 HydrophobicContact CD1-CB 4.12Å; L247-F299 HydrophobicContact CD1-CB 3.88Å
248	F	98	Very high	96.7	Very high	26 Å²	26	30.8 Å²	30.8	11%	0.114	17%	0.17	C	C	.	.			trans	-119	162.8	176.2	-66	-98.7	0	0	0	110.4	H246 Q250 E253 L255 T260 Q289 D290 H298	H246-F248 WeakPolarHBondContact O-CD2 3.5Å; H246-F248 WeakPolarHBondContact O-CE2 3.45Å; F248-Q250 VanDerWaalsContact C-N 3.27Å; F248-Q250 PolarHBondContact O-N 3.19Å; F248-E253 HydrophobicContact CB-CB 3.69Å; F248-E253 HydrophobicContact CB-CG 4.29Å; F248-E253 WeakPolarHBondContact CB-OE2 3.13Å; F248-E253 HydrophobicContact CD1-CB 3.86Å; F248-E253 HydrophobicContact CD1-CG 4.39Å; F248-E253 HydrophobicContact CD2-CB 3.69Å; F248-E253 HydrophobicContact CE1-CB 4.38Å; F248-E253 HydrophobicContact CE2-CB 4.23Å; F248-E253 HydrophobicContact CG-CB 3.49Å; F248-E253 VanDerWaalsContact CG-CB 3.49Å; F248-E253 HydrophobicContact CG-CG 4.33Å; F248-L255 HydrophobicContact CE2-CB 4.29Å; F248-T260 WeakPolarHBondContact CD2-OG1 3.16Å; F248-T260 HydrophobicContact CE2-CG2 4.18Å; F248-Q289 HydrophobicContact CD1-CB 4.33Å; F248-Q289 HydrophobicContact CD1-CG 4.44Å; F248-Q289 HydrophobicContact CD2-CB 4.39Å; F248-Q289 HydrophobicContact CE1-CB 3.89Å; F248-Q289 HydrophobicContact CE1-CG 3.55Å; F248-Q289 HydrophobicContact CE2-CB 3.96Å; F248-Q289 HydrophobicContact CE2-CG 4.03Å; F248-Q289 HydrophobicContact CZ-CB 3.71Å; F248-Q289 HydrophobicContact CZ-CG 3.32Å; F248-D290 HydrophobicContact CD1-CB 3.86Å; F248-D290 HydrophobicContact CE1-CB 4.48Å; F248-H298 PolarHBondContact O-CD2 2.93Å; F248-H298 VanDerWaalsContact O-CD2 3.23Å
249	A	96.4	Very high	96.8	Very high	26 Å²	26	29.7 Å²	29.7	22%	0.215	17%	0.167	C	C	.	.	S	Bend	trans	-56.4	-43.9	171.9	0	0	0	0	0	111.6	D290 S292 A294 H298	A249-D290 WeakPolarHBondContact CB-OD2 3.47Å; A249-D290 PolarHBondContact N-OD2 3.13Å; A249-S292 WeakPolarHBondContact CB-OG 3.27Å; A249-S292 PolarHBondContact N-OG 3.01Å; A249-A294 HydrophobicContact CB-CB 3.82Å; A249-H298 PolarHBondContact O-NE2 3.29Å
250	Q	97.5	Very high	96.8	Very high	112 Å²	112	29.8 Å²	29.8	52%	0.523	17%	0.168	S	C	.	.	S	Bend	trans	-94.1	120.4	178.5	-55.1	-63.4	-32	0	0	110.8	F248 H252 E253	F248-Q250 VanDerWaalsContact C-N 3.27Å; F248-Q250 PolarHBondContact O-N 3.19Å; Q250-H252 PolarHBondContact O-N 2.94Å; Q250-E253 HydrophobicContact CB-CG 4.03Å; Q250-E253 WeakPolarHBondContact CB-OE2 3.11Å; Q250-E253 PolarHBondContact N-OE2 3.35Å; Q250-E253 PolarHBondContact O-N 2.91Å
251	K	97.6	Very high	96.8	Very high	76 Å²	76	32 Å²	32	33%	0.33	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-3.9	-176.6	-64.7	-176.3	176.2	-166.3	0	115.5	N259 W261 H298 E301	K251-N259 PolarHBondContact O-ND2 2.68Å; K251-N259 VanDerWaalsContact O-ND2 3.13Å; K251-N259 PolarHBondContact O-OD1 2.89Å; K251-W261 HydrophobicContact CB-CB 4.22Å; K251-W261 HydrophobicContact CB-CD2 4.36Å; K251-W261 HydrophobicContact CB-CG 3.82Å; K251-W261 HydrophobicContact CD-CD2 3.93Å; K251-W261 HydrophobicContact CD-CE3 4.49Å; K251-W261 HydrophobicContact CD-CG 4.28Å; K251-W261 HydrophobicContact CD-CH2 4.45Å; K251-W261 HydrophobicContact CD-CZ2 3.9Å; K251-W261 HydrophobicContact CG-CD2 3.96Å; K251-W261 HydrophobicContact CG-CE3 4.49Å; K251-W261 HydrophobicContact CG-CG 3.95Å; K251-H298 WeakPolarHBondContact CE-CE1 3.24Å; K251-H298 WeakPolarHBondContact CE-ND1 2.93Å; K251-E301 IonicContact NZ-OE2 3.08Å; K251-E301 PolarHBondContact NZ-OE2 3.14Å
252	H	96.5	Very high	96.7	Very high	138 Å²	138	37 Å²	37	64%	0.639	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-6.9	177.7	69.2	-88.5	0	0	0	113.3	Q250	Q250-H252 PolarHBondContact O-N 2.94Å
253	E	96.5	Very high	96.7	Very high	69 Å²	69	37 Å²	37	32%	0.322	20%	0.2	S	C	.	.			trans	-69.3	151.4	178.2	-71.8	-179.5	99.9	0	0	111	F248 Q250	F248-E253 HydrophobicContact CB-CB 3.69Å; F248-E253 HydrophobicContact CB-CG 4.29Å; F248-E253 WeakPolarHBondContact CB-OE2 3.13Å; F248-E253 HydrophobicContact CD1-CB 3.86Å; F248-E253 HydrophobicContact CD1-CG 4.39Å; F248-E253 HydrophobicContact CD2-CB 3.69Å; F248-E253 HydrophobicContact CE1-CB 4.38Å; F248-E253 HydrophobicContact CE2-CB 4.23Å; F248-E253 HydrophobicContact CG-CB 3.49Å; F248-E253 VanDerWaalsContact CG-CB 3.49Å; F248-E253 HydrophobicContact CG-CG 4.33Å; Q250-E253 HydrophobicContact CB-CG 4.03Å; Q250-E253 WeakPolarHBondContact CB-OE2 3.11Å; Q250-E253 PolarHBondContact N-OE2 3.35Å; Q250-E253 PolarHBondContact O-N 2.91Å
254	A	94.9	Very high	96.7	Very high	51 Å²	51	36.9 Å²	36.9	42%	0.421	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.1	-173.6	0	0	0	0	0	110.4	V258	A254-V258 CarbonylContact C-O 3.54Å; A254-V258 WeakPolarHBondContact CA-O 3.35Å; A254-V258 WeakPolarHBondContact CB-O 3.11Å
255	L	93.9	Very high	96.7	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118	169.5	178.9	63.6	0	0	0	107.8	H246 F248 G257 V258 T260 Q289 V447 Y497	H246-L255 HydrophobicContact CB-CD2 3.6Å; F248-L255 HydrophobicContact CE2-CB 4.29Å; L255-G257 PolarHBondContact O-N 3.3Å; L255-V258 PolarHBondContact N-O 3.12Å; L255-V258 PolarHBondContact O-N 3.36Å; L255-T260 HydrophobicContact CB-CG2 3.58Å; L255-Q289 HydrophobicContact CD1-CG 4.49Å; L255-V447 HydrophobicContact CD2-CG2 4.08Å; L255-V447 HydrophobicContact CG-CG2 4.45Å; L255-Y497 HydrophobicContact CD1-CE2 4.35Å; L255-Y497 HydrophobicContact CD2-CE2 4.14Å
256	L	93.3	Very high	96.6	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.141	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	43.6	178	-54.2	167	0	0	0	112.9	V258 V447 F456 L458 P490 D491 G496 Y497	L256-V258 VanDerWaalsContact C-N 3.33Å; L256-V258 PolarHBondContact O-N 3Å; L256-V447 HydrophobicContact CB-CG1 4.3Å; L256-V447 HydrophobicContact CD1-CG2 4.2Å; L256-F456 HydrophobicContact CD1-CZ 3.7Å; L256-F456 HydrophobicContact CD2-CZ 4.43Å; L256-L458 HydrophobicContact CB-CD1 4.02Å; L256-L458 HydrophobicContact CD1-CD1 3.9Å; L256-L458 HydrophobicContact CD1-CD2 3.64Å; L256-L458 HydrophobicContact CD1-CG 4.32Å; L256-L458 HydrophobicContact CG-CD1 4.39Å; L256-P490 CarbonylContact O-C 3.46Å; L256-P490 WeakPolarHBondContact O-CA 3.49Å; L256-D491 PolarHBondContact O-N 3.3Å; L256-G496 VanDerWaalsContact CD2-O 3.28Å; L256-G496 WeakPolarHBondContact CD2-O 3.35Å; L256-Y497 HydrophobicContact CD1-CD2 3.99Å
257	G	92.2	Very high	96.6	Very high	57 Å²	57	40.2 Å²	40.2	59%	0.588	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	-10.7	179.2	0	0	0	0	0	115.7	L255	L255-G257 PolarHBondContact O-N 3.3Å
258	V	94.8	Very high	96.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.7	178	178.7	0	0	0	0	110.5	A254 L255 L256 T260 V447 F488 P490	A254-V258 CarbonylContact C-O 3.54Å; A254-V258 WeakPolarHBondContact CA-O 3.35Å; A254-V258 WeakPolarHBondContact CB-O 3.11Å; L255-V258 PolarHBondContact N-O 3.12Å; L255-V258 PolarHBondContact O-N 3.36Å; L256-V258 VanDerWaalsContact C-N 3.33Å; L256-V258 PolarHBondContact O-N 3Å; V258-T260 PolarHBondContact O-N 3.03Å; V258-T260 VanDerWaalsContact O-N 3.14Å; V258-V447 HydrophobicContact CB-CG1 3.83Å; V258-V447 HydrophobicContact CG2-CG1 3.66Å; V258-F488 HydrophobicContact CG1-CB 4.05Å; V258-F488 HydrophobicContact CG1-CD1 3.99Å; V258-F488 HydrophobicContact CG1-CG 4.44Å; V258-P490 HydrophobicContact CG2-CB 4.26Å
259	N	97.1	Very high	96.5	Very high	28 Å²	28	43.2 Å²	43.2	15%	0.15	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	111.8	169	-178.8	-40.8	0	0	0	109.3	K251 W261 E262 S263	K251-N259 PolarHBondContact O-ND2 2.68Å; K251-N259 VanDerWaalsContact O-ND2 3.13Å; K251-N259 PolarHBondContact O-OD1 2.89Å; N259-W261 PolarHBondContact OD1-N 3.23Å; N259-W261 VanDerWaalsContact OD1-N 3.07Å; N259-E262 HydrophobicContact CB-CB 4.14Å; N259-E262 HydrophobicContact CB-CG 4.26Å; N259-E262 PolarHBondContact OD1-N 3.41Å; N259-S263 WeakPolarHBondContact O-CB 3.49Å; N259-S263 PolarHBondContact O-N 3.05Å; N259-S263 VanDerWaalsContact O-N 3.08Å
260	T	97.6	Very high	96.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-73.9	-32.2	-171.7	58.3	0	0	0	0	112.3	H246 F248 L255 V258 Y264 C446	H246-T260 HydrophobicContact CB-CG2 4.2Å; H246-T260 VanDerWaalsContact O-CB 3.24Å; H246-T260 WeakPolarHBondContact O-CB 3.29Å; H246-T260 VanDerWaalsContact O-CG2 3.31Å; H246-T260 WeakPolarHBondContact O-CG2 3.31Å; H246-T260 PolarHBondContact O-OG1 2.91Å; F248-T260 WeakPolarHBondContact CD2-OG1 3.16Å; F248-T260 HydrophobicContact CE2-CG2 4.18Å; L255-T260 HydrophobicContact CB-CG2 3.58Å; V258-T260 PolarHBondContact O-N 3.03Å; V258-T260 VanDerWaalsContact O-N 3.14Å; T260-Y264 WeakPolarHBondContact O-CB 3.38Å; T260-Y264 PolarHBondContact O-N 2.99Å; T260-C446 HydrophobicContact CG2-CB 4.24Å
261	W	97.8	Very high	96.4	Very high	46 Å²	46	38.7 Å²	38.7	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-47.4	173.5	169.8	-102.8	0	0	0	112.1	L247 K251 N259 S263 Y264 Q265 H298	L247-W261 HydrophobicContact CD2-CB 4.46Å; L247-W261 HydrophobicContact CD2-CE3 4.4Å; K251-W261 HydrophobicContact CB-CB 4.22Å; K251-W261 HydrophobicContact CB-CD2 4.36Å; K251-W261 HydrophobicContact CB-CG 3.82Å; K251-W261 HydrophobicContact CD-CD2 3.93Å; K251-W261 HydrophobicContact CD-CE3 4.49Å; K251-W261 HydrophobicContact CD-CG 4.28Å; K251-W261 HydrophobicContact CD-CH2 4.45Å; K251-W261 HydrophobicContact CD-CZ2 3.9Å; K251-W261 HydrophobicContact CG-CD2 3.96Å; K251-W261 HydrophobicContact CG-CE3 4.49Å; K251-W261 HydrophobicContact CG-CG 3.95Å; N259-W261 PolarHBondContact OD1-N 3.23Å; N259-W261 VanDerWaalsContact OD1-N 3.07Å; W261-S263 VanDerWaalsContact C-N 3.34Å; W261-S263 PolarHBondContact O-N 3.38Å; W261-Y264 HydrophobicContact CE3-CD1 4.29Å; W261-Y264 HydrophobicContact CZ3-CD1 4.29Å; W261-Y264 PolarHBondContact O-N 2.85Å; W261-Q265 HydrophobicContact CD2-CG 4.01Å; W261-Q265 HydrophobicContact CE3-CG 4.37Å; W261-Q265 HydrophobicContact CH2-CG 4.12Å; W261-Q265 HydrophobicContact CZ2-CG 3.69Å; W261-Q265 HydrophobicContact CZ3-CG 4.41Å; W261-Q265 WeakPolarHBondContact O-CB 3.26Å; W261-Q265 VanDerWaalsContact O-CG 3.31Å; W261-Q265 WeakPolarHBondContact O-CG 3.18Å; W261-Q265 PolarHBondContact O-N 2.79Å; W261-H298 HydrophobicContact CE3-CB 3.97Å; W261-H298 HydrophobicContact CZ3-CB 3.67Å
262	E	97.4	Very high	96.3	Very high	105 Å²	105	39.3 Å²	39.3	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-39.8	178.4	-72	-176.7	-177.4	0	0	111.9	N259 Q265 A266 F488	N259-E262 HydrophobicContact CB-CB 4.14Å; N259-E262 HydrophobicContact CB-CG 4.26Å; N259-E262 PolarHBondContact OD1-N 3.41Å; E262-Q265 PolarHBondContact O-N 3.12Å; E262-A266 WeakPolarHBondContact O-CB 3.36Å; E262-A266 PolarHBondContact O-N 3.44Å; E262-F488 HydrophobicContact CB-CE1 3.87Å; E262-F488 HydrophobicContact CB-CZ 4.38Å; E262-F488 WeakPolarHBondContact O-CZ 3.27Å
263	S	97.8	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-46.2	176.8	-167.2	0	0	0	0	111.7	N259 W261 A266 V267 T445 P463 F488	N259-S263 WeakPolarHBondContact O-CB 3.49Å; N259-S263 PolarHBondContact O-N 3.05Å; N259-S263 VanDerWaalsContact O-N 3.08Å; W261-S263 VanDerWaalsContact C-N 3.34Å; W261-S263 PolarHBondContact O-N 3.38Å; S263-A266 PolarHBondContact O-N 3.06Å; S263-V267 WeakPolarHBondContact O-CG2 3.42Å; S263-V267 PolarHBondContact O-N 2.97Å; S263-T445 WeakPolarHBondContact CB-O 3.46Å; S263-T445 PolarHBondContact OG-O 2.8Å; S263-P463 VanDerWaalsContact OG-CG 3.25Å; S263-P463 WeakPolarHBondContact OG-CG 3.43Å; S263-F488 VanDerWaalsContact CA-CE1 3.42Å; S263-F488 VanDerWaalsContact N-CE1 3.32Å
264	Y	98.1	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-49.7	174.5	175.3	-122.6	0	0	0	111.8	I242 T245 L247 T260 W261 A266 V267 L268 F299	I242-Y264 HydrophobicContact CG2-CE2 4.2Å; T245-Y264 HydrophobicContact CG2-CD2 3.8Å; T245-Y264 HydrophobicContact CG2-CE2 3.97Å; L247-Y264 HydrophobicContact CD1-CD1 3.97Å; L247-Y264 HydrophobicContact CD1-CE1 4.12Å; L247-Y264 HydrophobicContact CD1-CG 4.48Å; L247-Y264 HydrophobicContact CD2-CD1 4.11Å; L247-Y264 HydrophobicContact CD2-CG 4.21Å; T260-Y264 WeakPolarHBondContact O-CB 3.38Å; T260-Y264 PolarHBondContact O-N 2.99Å; W261-Y264 HydrophobicContact CE3-CD1 4.29Å; W261-Y264 HydrophobicContact CZ3-CD1 4.29Å; W261-Y264 PolarHBondContact O-N 2.85Å; Y264-A266 VanDerWaalsContact C-N 3.33Å; Y264-A266 PolarHBondContact O-N 3.19Å; Y264-V267 PolarHBondContact O-N 2.82Å; Y264-L268 HydrophobicContact CD1-CD1 4.34Å; Y264-L268 HydrophobicContact CD2-CD2 4.42Å; Y264-L268 HydrophobicContact CD2-CG 4.25Å; Y264-L268 HydrophobicContact CE1-CD1 3.73Å; Y264-L268 HydrophobicContact CE1-CG 4.42Å; Y264-L268 HydrophobicContact CE2-CD1 3.98Å; Y264-L268 HydrophobicContact CE2-CD2 3.77Å; Y264-L268 HydrophobicContact CE2-CG 3.89Å; Y264-L268 WeakPolarHBondContact O-CG 3.35Å; Y264-L268 PolarHBondContact O-N 3.34Å; Y264-F299 HydrophobicContact CE2-CD2 4.28Å; Y264-F299 HydrophobicContact CE2-CE2 4.45Å; Y264-F299 PolarHBondContact OH-O 2.93Å
265	Q	97.5	Very high	95.7	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.229	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-41.7	177.2	-72.5	-64.3	-49.9	0	0	112.2	W261 E262 V267 L268 E269	W261-Q265 HydrophobicContact CD2-CG 4.01Å; W261-Q265 HydrophobicContact CE3-CG 4.37Å; W261-Q265 HydrophobicContact CH2-CG 4.12Å; W261-Q265 HydrophobicContact CZ2-CG 3.69Å; W261-Q265 HydrophobicContact CZ3-CG 4.41Å; W261-Q265 WeakPolarHBondContact O-CB 3.26Å; W261-Q265 VanDerWaalsContact O-CG 3.31Å; W261-Q265 WeakPolarHBondContact O-CG 3.18Å; W261-Q265 PolarHBondContact O-N 2.79Å; E262-Q265 PolarHBondContact O-N 3.12Å; Q265-V267 VanDerWaalsContact C-N 3.34Å; Q265-V267 PolarHBondContact O-N 3.38Å; Q265-L268 PolarHBondContact O-N 2.93Å; Q265-E269 WeakPolarHBondContact O-CG 3.22Å; Q265-E269 PolarHBondContact O-N 3.37Å
266	A	97.6	Very high	95.3	Very high	21 Å²	21	44 Å²	44	17%	0.174	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-41.5	176.7	0	0	0	0	0	112.3	E262 S263 Y264 E269 A270 L483 F488	E262-A266 WeakPolarHBondContact O-CB 3.36Å; E262-A266 PolarHBondContact O-N 3.44Å; S263-A266 PolarHBondContact O-N 3.06Å; Y264-A266 VanDerWaalsContact C-N 3.33Å; Y264-A266 PolarHBondContact O-N 3.19Å; A266-E269 PolarHBondContact O-N 3.35Å; A266-A270 WeakPolarHBondContact O-CB 3.28Å; A266-A270 PolarHBondContact O-N 3.05Å; A266-L483 HydrophobicContact CB-CD1 3.74Å; A266-L483 HydrophobicContact CB-CD2 4.33Å; A266-L483 WeakPolarHBondContact O-CD2 3.41Å; A266-F488 HydrophobicContact CB-CE2 3.52Å; A266-F488 HydrophobicContact CB-CZ 3.64Å
267	V	97.7	Very high	95.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-48.8	173.4	168.4	0	0	0	0	110.7	S263 Y264 Q265 E269 A270 I271 T445 P463 W465 L483	S263-V267 WeakPolarHBondContact O-CG2 3.42Å; S263-V267 PolarHBondContact O-N 2.97Å; Y264-V267 PolarHBondContact O-N 2.82Å; Q265-V267 VanDerWaalsContact C-N 3.34Å; Q265-V267 PolarHBondContact O-N 3.38Å; V267-E269 PolarHBondContact O-N 2.77Å; V267-A270 PolarHBondContact O-N 3.03Å; V267-I271 HydrophobicContact CG1-CD1 3.57Å; V267-I271 HydrophobicContact CG1-CG1 4.45Å; V267-I271 WeakPolarHBondContact O-CD1 3.37Å; V267-I271 VanDerWaalsContact O-CG1 3.23Å; V267-I271 WeakPolarHBondContact O-CG1 3.34Å; V267-I271 PolarHBondContact O-N 2.89Å; V267-T445 HydrophobicContact CB-CG2 4.43Å; V267-T445 HydrophobicContact CG1-CG2 4.01Å; V267-T445 HydrophobicContact CG2-CG2 4.37Å; V267-P463 HydrophobicContact CG2-CB 4.23Å; V267-W465 HydrophobicContact CB-CE3 4.42Å; V267-W465 HydrophobicContact CG1-CB 4.38Å; V267-W465 HydrophobicContact CG1-CD2 4.16Å; V267-W465 HydrophobicContact CG1-CE3 3.66Å; V267-W465 HydrophobicContact CG1-CZ3 4.32Å; V267-W465 HydrophobicContact CG2-CE3 4.26Å; V267-W465 HydrophobicContact CG2-CZ3 4.49Å; V267-L483 HydrophobicContact CG2-CD1 3.88Å; V267-L483 HydrophobicContact CG2-CD2 4.24Å; V267-L483 HydrophobicContact CG2-CG 3.95Å
268	L	97.4	Very high	95.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-42.1	179	-63.5	-170.5	0	0	0	112.9	I242 Y264 Q265 A270 I271 R272 F306	I242-L268 HydrophobicContact CD1-CD2 3.72Å; Y264-L268 HydrophobicContact CD1-CD1 4.34Å; Y264-L268 HydrophobicContact CD2-CD2 4.42Å; Y264-L268 HydrophobicContact CD2-CG 4.25Å; Y264-L268 HydrophobicContact CE1-CD1 3.73Å; Y264-L268 HydrophobicContact CE1-CG 4.42Å; Y264-L268 HydrophobicContact CE2-CD1 3.98Å; Y264-L268 HydrophobicContact CE2-CD2 3.77Å; Y264-L268 HydrophobicContact CE2-CG 3.89Å; Y264-L268 WeakPolarHBondContact O-CG 3.35Å; Y264-L268 PolarHBondContact O-N 3.34Å; Q265-L268 PolarHBondContact O-N 2.93Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.36Å; L268-I271 PolarHBondContact O-N 2.85Å; L268-R272 WeakPolarHBondContact O-CB 3.37Å; L268-R272 PolarHBondContact O-N 3.46Å; L268-F306 HydrophobicContact CB-CE2 4.27Å; L268-F306 HydrophobicContact CB-CZ 4.4Å; L268-F306 HydrophobicContact CD1-CE2 4.39Å; L268-F306 HydrophobicContact CD2-CE2 3.78Å; L268-F306 HydrophobicContact CD2-CZ 4.11Å; L268-F306 HydrophobicContact CG-CE2 4.36Å
269	E	96.3	Very high	95	Very high	89 Å²	89	46.6 Å²	46.6	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-34.6	176.9	-70.4	-57.9	138	0	0	112.1	Q265 A266 V267 I271 R272 P273	Q265-E269 WeakPolarHBondContact O-CG 3.22Å; Q265-E269 PolarHBondContact O-N 3.37Å; A266-E269 PolarHBondContact O-N 3.35Å; V267-E269 PolarHBondContact O-N 2.77Å; E269-I271 VanDerWaalsContact C-N 3.34Å; E269-R272 PolarHBondContact O-N 3.19Å; E269-R272 IonicContact OE1-CZ 3.44Å; E269-R272 IonicContact OE1-NE 3.42Å; E269-R272 PolarHBondContact OE1-NE 2.96Å; E269-R272 IonicContact OE1-NH1 2.82Å; E269-R272 PolarHBondContact OE1-NH1 2.97Å; E269-R272 VanDerWaalsContact OE1-NH1 3.09Å; E269-R272 IonicContact OE1-NH2 3.58Å; E269-R272 PolarHBondContact OE1-NH2 2.66Å; E269-R272 IonicContact OE2-CZ 3.15Å; E269-R272 IonicContact OE2-NE 3.46Å; E269-R272 IonicContact OE2-NH1 3.6Å; E269-P273 WeakPolarHBondContact O-CD 3.48Å
270	A	96.6	Very high	94.9	Very high	41 Å²	41	45.2 Å²	45.2	34%	0.339	23%	0.225	S	C	.	.	H	α-helix	trans	-67.7	-33.8	174.5	0	0	0	0	0	112.6	A266 V267 L268 P273 W465 L483	A266-A270 WeakPolarHBondContact O-CB 3.28Å; A266-A270 PolarHBondContact O-N 3.05Å; V267-A270 PolarHBondContact O-N 3.03Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.36Å; A270-P273 WeakPolarHBondContact O-CD 3.45Å; A270-W465 HydrophobicContact CB-CH2 3.63Å; A270-W465 HydrophobicContact CB-CZ2 4.38Å; A270-W465 HydrophobicContact CB-CZ3 4.16Å; A270-L483 HydrophobicContact CB-CD2 3.71Å
271	I	96.8	Very high	95	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-78.5	-32	177.9	-61.7	161.5	0	0	0	111.3	L240 V267 L268 E269 P273 H274 Q275 F278 F306 W465	L240-I271 HydrophobicContact CD1-CD1 4Å; L240-I271 HydrophobicContact CD1-CG2 4.31Å; L240-I271 HydrophobicContact CD2-CD1 4.18Å; L240-I271 HydrophobicContact CD2-CG2 3.77Å; V267-I271 HydrophobicContact CG1-CD1 3.57Å; V267-I271 HydrophobicContact CG1-CG1 4.45Å; V267-I271 WeakPolarHBondContact O-CD1 3.37Å; V267-I271 VanDerWaalsContact O-CG1 3.23Å; V267-I271 WeakPolarHBondContact O-CG1 3.34Å; V267-I271 PolarHBondContact O-N 2.89Å; L268-I271 PolarHBondContact O-N 2.85Å; E269-I271 VanDerWaalsContact C-N 3.34Å; I271-P273 VanDerWaalsContact O-N 3.12Å; I271-H274 WeakPolarHBondContact O-CA 3.49Å; I271-H274 PolarHBondContact O-N 3.15Å; I271-Q275 PolarHBondContact O-N 2.87Å; I271-F278 HydrophobicContact CG2-CD2 4.33Å; I271-F278 HydrophobicContact CG2-CE2 3.45Å; I271-F278 VanDerWaalsContact CG2-CE2 3.45Å; I271-F278 HydrophobicContact CG2-CZ 4.06Å; I271-F306 HydrophobicContact CB-CE1 4.28Å; I271-F306 HydrophobicContact CB-CZ 4.24Å; I271-F306 HydrophobicContact CG2-CE1 3.66Å; I271-F306 HydrophobicContact CG2-CZ 4.09Å; I271-W465 HydrophobicContact CD1-CB 4.38Å; I271-W465 HydrophobicContact CD1-CD2 3.86Å; I271-W465 HydrophobicContact CD1-CE3 4.45Å; I271-W465 HydrophobicContact CD1-CG 3.82Å; I271-W465 HydrophobicContact CG1-CD2 3.79Å; I271-W465 VanDerWaalsContact CG1-CE2 3.41Å; I271-W465 HydrophobicContact CG1-CE3 4.42Å; I271-W465 HydrophobicContact CG1-CG 4.12Å; I271-W465 HydrophobicContact CG1-CH2 4.44Å; I271-W465 HydrophobicContact CG1-CZ2 3.78Å
272	R	94.5	Very high	95	Very high	89 Å²	89	43 Å²	43	34%	0.336	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-49.4	-39.2	-170.2	-172.3	174.3	-76.2	-172.4	5.3	115.9	L268 E269 H274 Q275	L268-R272 WeakPolarHBondContact O-CB 3.37Å; L268-R272 PolarHBondContact O-N 3.46Å; E269-R272 PolarHBondContact O-N 3.19Å; E269-R272 IonicContact OE1-CZ 3.44Å; E269-R272 IonicContact OE1-NE 3.42Å; E269-R272 PolarHBondContact OE1-NE 2.96Å; E269-R272 IonicContact OE1-NH1 2.82Å; E269-R272 PolarHBondContact OE1-NH1 2.97Å; E269-R272 VanDerWaalsContact OE1-NH1 3.09Å; E269-R272 IonicContact OE1-NH2 3.58Å; E269-R272 PolarHBondContact OE1-NH2 2.66Å; E269-R272 IonicContact OE2-CZ 3.15Å; E269-R272 IonicContact OE2-NE 3.46Å; E269-R272 IonicContact OE2-NH1 3.6Å; R272-H274 PolarHBondContact O-N 3.48Å; R272-Q275 WeakPolarHBondContact O-CB 3.31Å; R272-Q275 VanDerWaalsContact O-CG 3.27Å; R272-Q275 WeakPolarHBondContact O-CG 3.24Å; R272-Q275 PolarHBondContact O-N 3.25Å; R272-Q275 PolarHBondContact O-NE2 2.94Å
273	P	93.9	Very high	95.1	Very high	84 Å²	84	38 Å²	38	55%	0.545	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-59.5	-30.3	176	-25.3	36	0	0	0	113.6	E269 A270 I271 H276	E269-P273 WeakPolarHBondContact O-CD 3.48Å; A270-P273 WeakPolarHBondContact O-CD 3.45Å; I271-P273 VanDerWaalsContact O-N 3.12Å; P273-H276 PolarHBondContact O-CE1 3.41Å; P273-H276 PolarHBondContact O-ND1 2.92Å
274	H	92.9	Very high	95.1	Very high	95 Å²	95	38 Å²	38	44%	0.44	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-99.5	4.9	-178.2	-59	-73.1	0	0	0	113.1	I271 R272 H276 E277 F278	I271-H274 WeakPolarHBondContact O-CA 3.49Å; I271-H274 PolarHBondContact O-N 3.15Å; R272-H274 PolarHBondContact O-N 3.48Å; H274-H276 PolarHBondContact O-N 3.23Å; H274-E277 IonicContact CG-OE1 3.5Å; H274-E277 IonicContact ND1-OE1 3.79Å; H274-E277 PolarHBondContact ND1-OE1 3.36Å; H274-E277 VanDerWaalsContact O-CB 3.24Å; H274-E277 WeakPolarHBondContact O-CB 3.41Å; H274-E277 WeakPolarHBondContact O-CG 3.37Å; H274-E277 PolarHBondContact O-N 3.42Å; H274-F278 HydrophobicContact CB-CE2 4.33Å; H274-F278 HydrophobicContact CB-CZ 4.49Å; H274-F278 WeakPolarHBondContact O-CE2 3.45Å
275	Q	88.7	Confident	95.1	Very high	49 Å²	49	38 Å²	38	23%	0.229	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-55.5	-29.5	-172.2	72.2	177.7	-86.2	0	0	114.5	I271 R272 E277 F278 S305 F306	I271-Q275 PolarHBondContact O-N 2.87Å; R272-Q275 WeakPolarHBondContact O-CB 3.31Å; R272-Q275 VanDerWaalsContact O-CG 3.27Å; R272-Q275 WeakPolarHBondContact O-CG 3.24Å; R272-Q275 PolarHBondContact O-N 3.25Å; R272-Q275 PolarHBondContact O-NE2 2.94Å; Q275-E277 PolarHBondContact O-N 2.96Å; Q275-F278 PolarHBondContact O-N 2.87Å; Q275-S305 PolarHBondContact OE1-O 3.07Å; Q275-F306 HydrophobicContact CB-CD1 3.7Å; Q275-F306 HydrophobicContact CB-CE1 3.85Å
276	H	85	Confident	95.1	Very high	138 Å²	138	35.7 Å²	35.7	64%	0.639	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-75.5	-10.6	-177.1	64.7	-81.5	0	0	0	112.5	P273 H274	P273-H276 PolarHBondContact O-CE1 3.41Å; P273-H276 PolarHBondContact O-ND1 2.92Å; H274-H276 PolarHBondContact O-N 3.23Å
277	E	89.1	Confident	95.1	Very high	58 Å²	58	34.7 Å²	34.7	27%	0.271	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-85.7	-15.1	179	-59.4	177.7	-162.6	0	0	112.5	R238 H274 Q275	R238-E277 WeakPolarHBondContact CB-O 3.44Å; R238-E277 WeakPolarHBondContact CD-O 3.48Å; R238-E277 IonicContact CZ-OE2 2.84Å; R238-E277 IonicContact NH1-OE2 2.8Å; R238-E277 PolarHBondContact NH1-OE2 2.84Å; H274-E277 IonicContact CG-OE1 3.5Å; H274-E277 IonicContact ND1-OE1 3.79Å; H274-E277 PolarHBondContact ND1-OE1 3.36Å; H274-E277 VanDerWaalsContact O-CB 3.24Å; H274-E277 WeakPolarHBondContact O-CB 3.41Å; H274-E277 WeakPolarHBondContact O-CG 3.37Å; H274-E277 PolarHBondContact O-N 3.42Å; Q275-E277 PolarHBondContact O-N 2.96Å
278	F	93.6	Very high	95	Very high	21 Å²	21	34.7 Å²	34.7	9%	0.092	17%	0.174	C	C	.	.			trans	-95.5	137.1	-175.6	-54.2	-63.6	0	0	0	111.9	R238 L240 I271 H274 Q275 A308 T467	R238-F278 HydrophobicContact CB-CD1 4.36Å; L240-F278 HydrophobicContact CB-CD1 3.8Å; L240-F278 HydrophobicContact CB-CD2 4.31Å; L240-F278 HydrophobicContact CB-CE1 4.07Å; L240-F278 HydrophobicContact CB-CG 3.94Å; L240-F278 HydrophobicContact CB-CZ 4.45Å; L240-F278 HydrophobicContact CD1-CE1 4.48Å; L240-F278 HydrophobicContact CD1-CZ 4.3Å; L240-F278 HydrophobicContact CD2-CD2 4.26Å; L240-F278 HydrophobicContact CD2-CE2 4.29Å; I271-F278 HydrophobicContact CG2-CD2 4.33Å; I271-F278 HydrophobicContact CG2-CE2 3.45Å; I271-F278 VanDerWaalsContact CG2-CE2 3.45Å; I271-F278 HydrophobicContact CG2-CZ 4.06Å; H274-F278 HydrophobicContact CB-CE2 4.33Å; H274-F278 HydrophobicContact CB-CZ 4.49Å; H274-F278 WeakPolarHBondContact O-CE2 3.45Å; Q275-F278 PolarHBondContact O-N 2.87Å; F278-A308 HydrophobicContact CB-CB 4.31Å; F278-A308 WeakPolarHBondContact O-CB 3.24Å; F278-T467 HydrophobicContact CE1-CG2 3.61Å; F278-T467 HydrophobicContact CZ-CG2 3.96Å
279	D	92.2	Very high	94.9	Very high	61 Å²	61	36.6 Å²	36.6	33%	0.326	18%	0.183	S	C	.	.	S	Bend	trans	-100.3	-22.6	177	-56.7	-68.4	0	0	0	112	V237 R238 P309	V237-D279 WeakPolarHBondContact CA-OD2 3.44Å; V237-D279 HydrophobicContact CG1-CB 3.81Å; R238-D279 PolarHBondContact N-OD2 2.87Å; R238-D279 PolarHBondContact O-N 3.27Å; D279-P309 WeakPolarHBondContact O-CD 3.15Å
280	L	95.5	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	141.5	-179.8	-173.9	68.4	0	0	0	111.1	L227 L229 R238 I239 L240 V282 P309 V311 V338 I346	L227-L280 HydrophobicContact CD2-CD1 4.11Å; L229-L280 HydrophobicContact CD1-CB 3.96Å; L229-L280 HydrophobicContact CD1-CD1 4.19Å; L229-L280 HydrophobicContact CD1-CD2 4.43Å; L229-L280 HydrophobicContact CD1-CG 4.42Å; R238-L280 PolarHBondContact O-N 2.76Å; I239-L280 WeakPolarHBondContact CA-O 3.21Å; I239-L280 HydrophobicContact CG1-CB 4.34Å; L240-L280 PolarHBondContact N-O 3.17Å; L280-V282 HydrophobicContact CD2-CG1 3.78Å; L280-V282 HydrophobicContact CG-CG1 4.06Å; L280-P309 HydrophobicContact CD1-CG 4.18Å; L280-P309 WeakPolarHBondContact CD1-O 3.13Å; L280-V311 HydrophobicContact CD1-CG1 4.49Å; L280-V311 HydrophobicContact CD1-CG2 4.22Å; L280-V311 HydrophobicContact CD2-CG2 4.37Å; L280-V338 HydrophobicContact CD2-CG1 4.43Å; L280-I346 HydrophobicContact CD2-CD1 3.44Å; L280-I346 VanDerWaalsContact CD2-CD1 3.44Å
281	I	98	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.6	165.8	-54.9	175.9	0	0	0	108.4	L240 I242 I303 F306 A308 P309 C310 V311	L240-I281 HydrophobicContact CB-CG1 4.35Å; L240-I281 HydrophobicContact CD2-CD1 4.37Å; L240-I281 HydrophobicContact CD2-CG1 4.21Å; L240-I281 CarbonylContact O-C 3.5Å; L240-I281 WeakPolarHBondContact O-CA 3.39Å; I242-I281 HydrophobicContact CD1-CG2 4.29Å; I281-I303 HydrophobicContact CD1-CD1 4.42Å; I281-I303 HydrophobicContact CD1-CG2 4.44Å; I281-I303 HydrophobicContact CG2-CD1 4.19Å; I281-F306 HydrophobicContact CD1-CB 3.57Å; I281-F306 HydrophobicContact CD1-CD1 4.18Å; I281-F306 HydrophobicContact CD1-CD2 4.32Å; I281-F306 HydrophobicContact CD1-CG 3.76Å; I281-A308 HydrophobicContact CD1-CB 4.38Å; I281-A308 HydrophobicContact CG1-CB 4.04Å; I281-P309 PolarHBondContact N-O 3.22Å; I281-C310 HydrophobicContact CB-CB 4Å; I281-C310 HydrophobicContact CG2-CB 4.4Å; I281-C310 VanDerWaalsContact O-CA 3.29Å; I281-C310 WeakPolarHBondContact O-CA 3.25Å; I281-V311 PolarHBondContact O-N 3.36Å
282	V	98.5	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.2	174.5	-59.6	0	0	0	0	109.6	I239 L240 Q241 I242 L280 V311 L384 L422	I239-V282 HydrophobicContact CG2-CB 4.35Å; I239-V282 HydrophobicContact CG2-CG1 3.75Å; I239-V282 HydrophobicContact CG2-CG2 3.71Å; L240-V282 PolarHBondContact O-N 2.93Å; Q241-V282 WeakPolarHBondContact CA-O 3.49Å; Q241-V282 HydrophobicContact CB-CG2 3.78Å; Q241-V282 HydrophobicContact CG-CG2 4.01Å; I242-V282 PolarHBondContact N-O 3.33Å; L280-V282 HydrophobicContact CD2-CG1 3.78Å; L280-V282 HydrophobicContact CG-CG1 4.06Å; V282-V311 WeakPolarHBondContact CA-O 3.4Å; V282-V311 HydrophobicContact CG1-CG2 3.84Å; V282-L384 HydrophobicContact CB-CD2 3.72Å; V282-L384 HydrophobicContact CG1-CD2 3.8Å; V282-L384 HydrophobicContact CG2-CD2 4.09Å; V282-L422 HydrophobicContact CG2-CD2 4.2Å
283	A	98.6	Very high	93.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.3	178.9	0	0	0	0	0	110.1	I242 G285 L287 F299 V311 W312 L313	I242-A283 VanDerWaalsContact O-CA 3.25Å; I242-A283 WeakPolarHBondContact O-CA 3.42Å; A283-G285 PolarHBondContact O-N 2.85Å; A283-L287 HydrophobicContact CB-CD1 4.35Å; A283-L287 HydrophobicContact CB-CD2 4.2Å; A283-F299 HydrophobicContact CB-CE1 4.24Å; A283-F299 HydrophobicContact CB-CE2 4.36Å; A283-F299 HydrophobicContact CB-CZ 3.57Å; A283-V311 PolarHBondContact N-O 3.03Å; A283-W312 HydrophobicContact CB-CB 3.89Å; A283-W312 CarbonylContact O-C 3.5Å; A283-W312 VanDerWaalsContact O-CA 3.25Å; A283-W312 WeakPolarHBondContact O-CA 3.46Å; A283-L313 PolarHBondContact O-N 3.42Å
284	T	98.4	Very high	93.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.159	C	C	.	.			trans	-97.6	32.6	-167.4	52	0	0	0	0	115	Q241 I242 T243 L313 L384 H386	Q241-T284 HydrophobicContact CG-CG2 4.28Å; Q241-T284 PolarHBondContact NE2-OG1 2.8Å; I242-T284 PolarHBondContact O-N 3.48Å; T243-T284 WeakPolarHBondContact CB-OG1 3.34Å; T243-T284 PolarHBondContact OG1-OG1 2.75Å; T284-L313 VanDerWaalsContact C-CD1 3.4Å; T284-L313 HydrophobicContact CG2-CD2 4.45Å; T284-L313 WeakPolarHBondContact O-CD1 3.24Å; T284-L384 HydrophobicContact CG2-CD2 4.22Å; T284-L384 HydrophobicContact CG2-CG 4.28Å; T284-H386 PolarHBondContact O-ND1 2.99Å
285	G	97.7	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	99.4	175.1	170.6	0	0	0	0	0	114.9	D244 A283 L287 L313 G315	D244-G285 PolarHBondContact N-O 3.22Å; A283-G285 PolarHBondContact O-N 2.85Å; G285-L287 VanDerWaalsContact C-N 3.34Å; G285-L313 WeakPolarHBondContact CA-O 3.31Å; G285-L313 PolarHBondContact N-O 2.85Å; G285-L313 VanDerWaalsContact N-O 3.1Å; G285-G315 VanDerWaalsContact CA-N 3.35Å
286	D	97.8	Very high	93.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.			trans	54.4	49.3	-175.6	-79.4	4	0	0	0	111.9	D244 T245 H246 G315 N316 H317 D318 H386	D244-D286 CarbonylContact C-O 3.58Å; D244-D286 WeakPolarHBondContact CA-O 3.42Å; D244-D286 HydrophobicContact CB-CB 4.39Å; T245-D286 PolarHBondContact N-O 3.47Å; H246-D286 VanDerWaalsContact CE1-CB 3.5Å; H246-D286 WeakPolarHBondContact CE1-CB 3.49Å; H246-D286 IonicContact CE1-OD2 3.92Å; H246-D286 PolarHBondContact CE1-OD2 3.12Å; H246-D286 PolarHBondContact N-O 3.46Å; H246-D286 IonicContact NE2-OD2 2.68Å; D286-G315 WeakPolarHBondContact OD1-CA 3.27Å; D286-N316 PolarHBondContact OD1-N 3.18Å; D286-N316 PolarHBondContact OD2-OD1 3.47Å; D286-H317 HydrophobicContact CB-CB 4.47Å; D286-H317 WeakPolarHBondContact OD1-CB 3.33Å; D286-H317 IonicContact OD1-CD2 3.51Å; D286-H317 IonicContact OD1-CG 3.42Å; D286-H317 PolarHBondContact OD1-N 3.42Å; D286-H317 IonicContact OD2-CD2 3.31Å; D286-H317 PolarHBondContact OD2-CD2 2.92Å; D286-H317 IonicContact OD2-CG 2.94Å; D286-D318 WeakPolarHBondContact CA-OD2 3.29Å; D286-D318 PolarHBondContact N-OD2 3.22Å; D286-H386 VanDerWaalsContact CG-NE2 3.29Å; D286-H386 IonicContact OD1-CE1 3.08Å; D286-H386 IonicContact OD1-NE2 3.89Å; D286-H386 PolarHBondContact OD1-NE2 2.84Å; D286-H386 IonicContact OD2-CE1 3.78Å; D286-H386 PolarHBondContact OD2-CE1 3.49Å; D286-H386 IonicContact OD2-NE2 2.66Å; D286-H386 PolarHBondContact OD2-NE2 3.27Å
287	L	98.2	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.			trans	-76.3	-39.1	-179.2	-56.4	-170.3	0	0	0	111.4	T245 H246 L247 A283 G285 Y296 F299 D318 M323 L327	T245-L287 HydrophobicContact CG2-CD2 4.45Å; T245-L287 VanDerWaalsContact OG1-CA 3.26Å; T245-L287 WeakPolarHBondContact OG1-CA 3.46Å; T245-L287 PolarHBondContact OG1-O 2.92Å; H246-L287 PolarHBondContact N-O 2.85Å; L247-L287 WeakPolarHBondContact CB-O 3.38Å; L247-L287 PolarHBondContact N-O 3.05Å; A283-L287 HydrophobicContact CB-CD1 4.35Å; A283-L287 HydrophobicContact CB-CD2 4.2Å; G285-L287 VanDerWaalsContact C-N 3.34Å; L287-Y296 HydrophobicContact CB-CD1 4.23Å; L287-Y296 HydrophobicContact CB-CE1 4.08Å; L287-F299 HydrophobicContact CB-CD2 4.47Å; L287-F299 HydrophobicContact CD1-CD1 3.79Å; L287-F299 HydrophobicContact CD1-CD2 4.06Å; L287-F299 HydrophobicContact CD1-CE1 3.77Å; L287-F299 HydrophobicContact CD1-CE2 4.06Å; L287-F299 HydrophobicContact CD1-CG 3.94Å; L287-F299 HydrophobicContact CD1-CZ 3.92Å; L287-F299 HydrophobicContact CD2-CD2 3.95Å; L287-F299 HydrophobicContact CD2-CE2 3.67Å; L287-F299 HydrophobicContact CD2-CZ 4.13Å; L287-F299 HydrophobicContact CG-CD2 4.39Å; L287-F299 HydrophobicContact CG-CE2 4.43Å; L287-D318 PolarHBondContact N-OD1 3.06Å; L287-D318 PolarHBondContact N-OD2 2.85Å; L287-M323 HydrophobicContact CD1-CE 3.52Å; L287-M323 HydrophobicContact CG-CE 3.96Å; L287-L327 HydrophobicContact CD1-CD1 4.24Å
288	A	95.9	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-117.8	133.1	179.8	0	0	0	0	0	111.7	L247 A295 Y296 H317 D318	L247-A288 CarbonylContact O-C 3.57Å; L247-A288 WeakPolarHBondContact O-CA 3.41Å; A288-A295 HydrophobicContact CB-CB 3.48Å; A288-A295 VanDerWaalsContact CB-CB 3.48Å; A288-Y296 HydrophobicContact CB-CD1 4.24Å; A288-Y296 HydrophobicContact CB-CE1 3.66Å; A288-Y296 HydrophobicContact CB-CE2 4Å; A288-Y296 VanDerWaalsContact CB-CZ 3.49Å; A288-H317 WeakPolarHBondContact O-CB 3.23Å; A288-D318 PolarHBondContact N-OD1 3.13Å; A288-D318 VanDerWaalsContact N-OD1 3.13Å
289	Q	95.5	Very high	94.7	Very high	39 Å²	39	20.3 Å²	20.3	18%	0.182	11%	0.107	C	C	.	.	S	Bend	trans	-84.9	-33.8	175	178.7	60.7	4.6	0	0	112.2	H246 L247 F248 L255 H317	H246-Q289 HydrophobicContact CB-CB 4.11Å; H246-Q289 PolarHBondContact ND1-OE1 2.95Å; L247-Q289 PolarHBondContact O-N 3.32Å; F248-Q289 HydrophobicContact CD1-CB 4.33Å; F248-Q289 HydrophobicContact CD1-CG 4.44Å; F248-Q289 HydrophobicContact CD2-CB 4.39Å; F248-Q289 HydrophobicContact CE1-CB 3.89Å; F248-Q289 HydrophobicContact CE1-CG 3.55Å; F248-Q289 HydrophobicContact CE2-CB 3.96Å; F248-Q289 HydrophobicContact CE2-CG 4.03Å; F248-Q289 HydrophobicContact CZ-CB 3.71Å; F248-Q289 HydrophobicContact CZ-CG 3.32Å; L255-Q289 HydrophobicContact CD1-CG 4.49Å; Q289-H317 PolarHBondContact OE1-CE1 3Å; Q289-H317 PolarHBondContact OE1-ND1 3.48Å
290	D	92	Very high	95	Very high	55 Å²	55	17.7 Å²	17.7	29%	0.294	9%	0.094	S	C	.	.	S	Bend	trans	-101.4	7.9	-176.3	73.1	-10	0	0	0	113.9	F248 A249 S292	F248-D290 HydrophobicContact CD1-CB 3.86Å; F248-D290 HydrophobicContact CE1-CB 4.48Å; A249-D290 WeakPolarHBondContact CB-OD2 3.47Å; A249-D290 PolarHBondContact N-OD2 3.13Å; D290-S292 VanDerWaalsContact CG-OG 3.28Å; D290-S292 PolarHBondContact O-N 3.49Å; D290-S292 VanDerWaalsContact OD1-CB 3.22Å; D290-S292 WeakPolarHBondContact OD1-CB 3.4Å; D290-S292 PolarHBondContact OD1-N 3.19Å; D290-S292 PolarHBondContact OD1-OG 2.9Å; D290-S292 PolarHBondContact OD2-OG 3.47Å
291	Q	88	Confident	95	Very high	87 Å²	87	22.8 Å²	22.8	41%	0.407	12%	0.118	S	C	.	.			trans	60.6	11.3	179.1	-63.9	169.8	3.5	0	0	114.8	H317 F319	Q291-H317 WeakPolarHBondContact CG-O 3.45Å; Q291-H317 PolarHBondContact NE2-O 2.86Å; Q291-F319 HydrophobicContact CB-CB 3.73Å; Q291-F319 HydrophobicContact CG-CB 3.92Å
292	S	84.4	Confident	94.9	Very high	4 Å²	4	23 Å²	23	3%	0.028	12%	0.119	C	C	.	.			trans	-77.2	142.6	-175	69.7	0	0	0	0	112.4	A249 D290 A294 A295 Y296	A249-S292 WeakPolarHBondContact CB-OG 3.27Å; A249-S292 PolarHBondContact N-OG 3.01Å; D290-S292 VanDerWaalsContact CG-OG 3.28Å; D290-S292 PolarHBondContact O-N 3.49Å; D290-S292 VanDerWaalsContact OD1-CB 3.22Å; D290-S292 WeakPolarHBondContact OD1-CB 3.4Å; D290-S292 PolarHBondContact OD1-N 3.19Å; D290-S292 PolarHBondContact OD1-OG 2.9Å; D290-S292 PolarHBondContact OD2-OG 3.47Å; S292-A294 PolarHBondContact O-N 3.45Å; S292-A295 WeakPolarHBondContact O-CB 3.31Å; S292-A295 PolarHBondContact O-N 3.02Å; S292-A295 VanDerWaalsContact O-N 3.12Å; S292-A295 WeakPolarHBondContact OG-CB 3.35Å; S292-A295 PolarHBondContact OG-N 2.84Å; S292-Y296 WeakPolarHBondContact O-CD2 3.38Å; S292-Y296 PolarHBondContact O-N 2.92Å
293	S	87.1	Confident	94.8	Very high	31 Å²	31	23.3 Å²	23.3	22%	0.217	12%	0.121	C	C	.	.	H	α-helix	trans	-52.7	-34.5	166.7	-58.2	0	0	0	0	112.7	W195 Y296 Q297	W195-S293 VanDerWaalsContact CH2-N 3.33Å; W195-S293 WeakPolarHBondContact CZ3-OG 3.32Å; S293-Y296 PolarHBondContact O-N 3.41Å; S293-Q297 VanDerWaalsContact O-CG 3.28Å; S293-Q297 WeakPolarHBondContact O-CG 3.25Å; S293-Q297 PolarHBondContact O-N 2.66Å
294	A	91.1	Very high	94.5	Very high	25 Å²	25	27.2 Å²	27.2	21%	0.207	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-39.6	178.2	0	0	0	0	0	112.4	A249 S292 Y296 Q297 H298	A249-A294 HydrophobicContact CB-CB 3.82Å; S292-A294 PolarHBondContact O-N 3.45Å; A294-Y296 VanDerWaalsContact C-N 3.34Å; A294-Y296 PolarHBondContact O-N 3.26Å; A294-Q297 WeakPolarHBondContact O-CB 3.21Å; A294-Q297 PolarHBondContact O-N 2.94Å; A294-H298 PolarHBondContact O-CD2 2.97Å; A294-H298 PolarHBondContact O-N 3.32Å
295	A	95.4	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-41.8	174.2	0	0	0	0	0	112.2	L247 A288 S292 H298 F299	L247-A295 HydrophobicContact CB-CB 4.04Å; L247-A295 WeakPolarHBondContact O-CB 3.47Å; A288-A295 HydrophobicContact CB-CB 3.48Å; A288-A295 VanDerWaalsContact CB-CB 3.48Å; S292-A295 WeakPolarHBondContact O-CB 3.31Å; S292-A295 PolarHBondContact O-N 3.02Å; S292-A295 VanDerWaalsContact O-N 3.12Å; S292-A295 WeakPolarHBondContact OG-CB 3.35Å; S292-A295 PolarHBondContact OG-N 2.84Å; A295-H298 WeakPolarHBondContact O-CB 3.25Å; A295-H298 PolarHBondContact O-N 3.46Å; A295-F299 PolarHBondContact O-N 3.4Å
296	Y	92.3	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-36.1	174.6	-61.1	-62.7	0	0	0	113	L287 A288 S292 S293 A294 F299 A300 D318 F319 A322 M323	L287-Y296 HydrophobicContact CB-CD1 4.23Å; L287-Y296 HydrophobicContact CB-CE1 4.08Å; A288-Y296 HydrophobicContact CB-CD1 4.24Å; A288-Y296 HydrophobicContact CB-CE1 3.66Å; A288-Y296 HydrophobicContact CB-CE2 4Å; A288-Y296 VanDerWaalsContact CB-CZ 3.49Å; S292-Y296 WeakPolarHBondContact O-CD2 3.38Å; S292-Y296 PolarHBondContact O-N 2.92Å; S293-Y296 PolarHBondContact O-N 3.41Å; A294-Y296 VanDerWaalsContact C-N 3.34Å; A294-Y296 PolarHBondContact O-N 3.26Å; Y296-F299 WeakPolarHBondContact O-CB 3.46Å; Y296-F299 PolarHBondContact O-N 3.48Å; Y296-A300 WeakPolarHBondContact O-CB 3.41Å; Y296-A300 PolarHBondContact O-N 2.91Å; Y296-D318 VanDerWaalsContact CE1-OD1 3.27Å; Y296-D318 WeakPolarHBondContact CE1-OD1 3.46Å; Y296-D318 WeakPolarHBondContact OH-CA 3.47Å; Y296-D318 WeakPolarHBondContact OH-CB 3.38Å; Y296-D318 PolarHBondContact OH-OD1 3.27Å; Y296-F319 PolarHBondContact OH-N 2.81Å; Y296-A322 HydrophobicContact CD2-CB 4.17Å; Y296-A322 HydrophobicContact CE2-CB 3.93Å; Y296-M323 HydrophobicContact CD1-CB 3.98Å; Y296-M323 HydrophobicContact CD1-CG 3.82Å; Y296-M323 HydrophobicContact CD2-CB 4.34Å; Y296-M323 HydrophobicContact CE1-CB 3.62Å; Y296-M323 HydrophobicContact CE1-CG 3.6Å; Y296-M323 HydrophobicContact CE1-SD 4.35Å; Y296-M323 HydrophobicContact CE2-CB 4.02Å; Y296-M323 HydrophobicContact CG-CB 4.35Å
297	Q	96.7	Very high	93.2	Very high	102 Å²	102	40.6 Å²	40.6	48%	0.477	21%	0.21	S	C	.	.	H	α-helix	trans	-63.7	-42.7	172.8	-73.2	166.9	-13.3	0	0	110.9	S293 A294 F299 A300 E301 A326	S293-Q297 VanDerWaalsContact O-CG 3.28Å; S293-Q297 WeakPolarHBondContact O-CG 3.25Å; S293-Q297 PolarHBondContact O-N 2.66Å; A294-Q297 WeakPolarHBondContact O-CB 3.21Å; A294-Q297 PolarHBondContact O-N 2.94Å; Q297-F299 VanDerWaalsContact C-N 3.33Å; Q297-F299 PolarHBondContact O-N 3.44Å; Q297-A300 CarbonylContact O-C 3.29Å; Q297-A300 PolarHBondContact O-N 3.42Å; Q297-A300 VanDerWaalsContact O-N 3.14Å; Q297-E301 WeakPolarHBondContact O-CG 3.39Å; Q297-E301 PolarHBondContact O-N 2.98Å; Q297-A326 HydrophobicContact CG-CB 4.37Å
298	H	97.9	Very high	92.8	Very high	21 Å²	21	41 Å²	41	10%	0.097	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-40.1	174.7	-65.5	-25.6	0	0	0	112.2	L247 F248 A249 K251 W261 A294 A295 E301 G302	L247-H298 HydrophobicContact CD1-CB 4.12Å; F248-H298 PolarHBondContact O-CD2 2.93Å; F248-H298 VanDerWaalsContact O-CD2 3.23Å; A249-H298 PolarHBondContact O-NE2 3.29Å; K251-H298 WeakPolarHBondContact CE-CE1 3.24Å; K251-H298 WeakPolarHBondContact CE-ND1 2.93Å; W261-H298 HydrophobicContact CE3-CB 3.97Å; W261-H298 HydrophobicContact CZ3-CB 3.67Å; A294-H298 PolarHBondContact O-CD2 2.97Å; A294-H298 PolarHBondContact O-N 3.32Å; A295-H298 WeakPolarHBondContact O-CB 3.25Å; A295-H298 PolarHBondContact O-N 3.46Å; H298-E301 IonicContact ND1-OE2 3.43Å; H298-E301 PolarHBondContact O-N 2.76Å; H298-G302 PolarHBondContact O-N 3.31Å
299	F	98.6	Very high	92.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-49.3	171.3	177.7	-93.6	0	0	0	110.7	I242 T245 L247 Y264 A283 L287 A295 Y296 Q297 E301 G302 I303 L327 I332	I242-F299 HydrophobicContact CG2-CE2 4.12Å; T245-F299 HydrophobicContact CG2-CD2 4.17Å; T245-F299 HydrophobicContact CG2-CE2 4.21Å; L247-F299 HydrophobicContact CD1-CB 3.88Å; Y264-F299 HydrophobicContact CE2-CD2 4.28Å; Y264-F299 HydrophobicContact CE2-CE2 4.45Å; Y264-F299 PolarHBondContact OH-O 2.93Å; A283-F299 HydrophobicContact CB-CE1 4.24Å; A283-F299 HydrophobicContact CB-CE2 4.36Å; A283-F299 HydrophobicContact CB-CZ 3.57Å; L287-F299 HydrophobicContact CB-CD2 4.47Å; L287-F299 HydrophobicContact CD1-CD1 3.79Å; L287-F299 HydrophobicContact CD1-CD2 4.06Å; L287-F299 HydrophobicContact CD1-CE1 3.77Å; L287-F299 HydrophobicContact CD1-CE2 4.06Å; L287-F299 HydrophobicContact CD1-CG 3.94Å; L287-F299 HydrophobicContact CD1-CZ 3.92Å; L287-F299 HydrophobicContact CD2-CD2 3.95Å; L287-F299 HydrophobicContact CD2-CE2 3.67Å; L287-F299 HydrophobicContact CD2-CZ 4.13Å; L287-F299 HydrophobicContact CG-CD2 4.39Å; L287-F299 HydrophobicContact CG-CE2 4.43Å; A295-F299 PolarHBondContact O-N 3.4Å; Y296-F299 WeakPolarHBondContact O-CB 3.46Å; Y296-F299 PolarHBondContact O-N 3.48Å; Q297-F299 VanDerWaalsContact C-N 3.33Å; Q297-F299 PolarHBondContact O-N 3.44Å; F299-E301 PolarHBondContact O-N 2.83Å; F299-G302 PolarHBondContact O-N 2.93Å; F299-G302 VanDerWaalsContact O-N 3.13Å; F299-I303 HydrophobicContact CD1-CG1 4.02Å; F299-I303 HydrophobicContact CE1-CD1 4.36Å; F299-I303 HydrophobicContact CE1-CG1 3.49Å; F299-I303 VanDerWaalsContact CE1-CG1 3.49Å; F299-I303 HydrophobicContact CE2-CD1 4.28Å; F299-I303 HydrophobicContact CE2-CG1 4.12Å; F299-I303 HydrophobicContact CZ-CD1 3.9Å; F299-I303 HydrophobicContact CZ-CG1 3.53Å; F299-I303 WeakPolarHBondContact O-CG1 3.26Å; F299-I303 PolarHBondContact O-N 3.27Å; F299-L327 HydrophobicContact CD1-CD2 3.79Å; F299-L327 HydrophobicContact CE1-CD2 4.4Å; F299-I332 HydrophobicContact CD1-CD1 4.47Å; F299-I332 HydrophobicContact CE1-CD1 4.39Å
300	A	97.3	Very high	92.6	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-38.7	-179.4	0	0	0	0	0	113	Y296 Q297 G302 I303 A304 L327 A330 I332	Y296-A300 WeakPolarHBondContact O-CB 3.41Å; Y296-A300 PolarHBondContact O-N 2.91Å; Q297-A300 CarbonylContact O-C 3.29Å; Q297-A300 PolarHBondContact O-N 3.42Å; Q297-A300 VanDerWaalsContact O-N 3.14Å; A300-G302 VanDerWaalsContact C-N 3.27Å; A300-G302 PolarHBondContact O-N 2.87Å; A300-I303 PolarHBondContact O-N 3.4Å; A300-A304 VanDerWaalsContact O-CB 3.28Å; A300-A304 WeakPolarHBondContact O-CB 3.46Å; A300-A304 PolarHBondContact O-N 2.61Å; A300-L327 HydrophobicContact CB-CD2 4.19Å; A300-A330 HydrophobicContact CB-CB 3.46Å; A300-A330 VanDerWaalsContact CB-CB 3.46Å; A300-I332 HydrophobicContact CB-CD1 3.73Å
301	E	95.7	Very high	92.8	Very high	107 Å²	107	39.1 Å²	39.1	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-55.5	-43.2	172.3	-76.7	176.1	-175.6	0	0	111.3	K251 Q297 H298 F299	K251-E301 IonicContact NZ-OE2 3.08Å; K251-E301 PolarHBondContact NZ-OE2 3.14Å; Q297-E301 WeakPolarHBondContact O-CG 3.39Å; Q297-E301 PolarHBondContact O-N 2.98Å; H298-E301 IonicContact ND1-OE2 3.43Å; H298-E301 PolarHBondContact O-N 2.76Å; F299-E301 PolarHBondContact O-N 2.83Å
302	G	95.4	Very high	93.2	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-49.4	176.8	0	0	0	0	0	112.5	H298 F299 A300 A304 S305	H298-G302 PolarHBondContact O-N 3.31Å; F299-G302 PolarHBondContact O-N 2.93Å; F299-G302 VanDerWaalsContact O-N 3.13Å; A300-G302 VanDerWaalsContact C-N 3.27Å; A300-G302 PolarHBondContact O-N 2.87Å; G302-A304 VanDerWaalsContact C-N 3.33Å; G302-A304 PolarHBondContact O-N 3.1Å; G302-S305 WeakPolarHBondContact O-CB 3.47Å; G302-S305 PolarHBondContact O-N 2.92Å; G302-S305 PolarHBondContact O-OG 3.39Å
303	I	96.6	Very high	93.7	Very high	7 Å²	7	35 Å²	35	4%	0.036	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-33.8	179.3	-64.2	-51.3	0	0	0	112.6	I242 I281 F299 A300 S305 F306 C310 I332	I242-I303 HydrophobicContact CD1-CD1 3.83Å; I281-I303 HydrophobicContact CD1-CD1 4.42Å; I281-I303 HydrophobicContact CD1-CG2 4.44Å; I281-I303 HydrophobicContact CG2-CD1 4.19Å; F299-I303 HydrophobicContact CD1-CG1 4.02Å; F299-I303 HydrophobicContact CE1-CD1 4.36Å; F299-I303 HydrophobicContact CE1-CG1 3.49Å; F299-I303 VanDerWaalsContact CE1-CG1 3.49Å; F299-I303 HydrophobicContact CE2-CD1 4.28Å; F299-I303 HydrophobicContact CE2-CG1 4.12Å; F299-I303 HydrophobicContact CZ-CD1 3.9Å; F299-I303 HydrophobicContact CZ-CG1 3.53Å; F299-I303 WeakPolarHBondContact O-CG1 3.26Å; F299-I303 PolarHBondContact O-N 3.27Å; A300-I303 PolarHBondContact O-N 3.4Å; I303-S305 PolarHBondContact O-N 3.48Å; I303-F306 WeakPolarHBondContact O-CB 3.26Å; I303-F306 PolarHBondContact O-N 2.81Å; I303-C310 HydrophobicContact CG2-CB 3.59Å; I303-I332 HydrophobicContact CB-CD1 4.14Å; I303-I332 HydrophobicContact CG2-CD1 4.07Å
304	A	91.9	Very high	94	Very high	84 Å²	84	33.5 Å²	33.5	69%	0.694	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.6	177.8	0	0	0	0	0	113.4	A300 G302 F306	A300-A304 VanDerWaalsContact O-CB 3.28Å; A300-A304 WeakPolarHBondContact O-CB 3.46Å; A300-A304 PolarHBondContact O-N 2.61Å; G302-A304 VanDerWaalsContact C-N 3.33Å; G302-A304 PolarHBondContact O-N 3.1Å; A304-F306 VanDerWaalsContact C-N 3.25Å; A304-F306 PolarHBondContact O-N 3.32Å
305	S	88.1	Confident	94.1	Very high	39 Å²	39	32.3 Å²	32.3	27%	0.273	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.1	173.1	73.1	0	0	0	0	114.4	Q275 G302 I303	Q275-S305 PolarHBondContact OE1-O 3.07Å; G302-S305 WeakPolarHBondContact O-CB 3.47Å; G302-S305 PolarHBondContact O-N 2.92Å; G302-S305 PolarHBondContact O-OG 3.39Å; I303-S305 PolarHBondContact O-N 3.48Å
306	F	91.2	Very high	93.9	Very high	16 Å²	16	33.2 Å²	33.2	7%	0.07	17%	0.173	C	C	.	.			trans	-105.9	146.5	178.7	-65.6	-98.2	0	0	0	111.3	L240 L268 I271 Q275 I281 I303 A304	L240-F306 HydrophobicContact CD2-CE1 4.43Å; L268-F306 HydrophobicContact CB-CE2 4.27Å; L268-F306 HydrophobicContact CB-CZ 4.4Å; L268-F306 HydrophobicContact CD1-CE2 4.39Å; L268-F306 HydrophobicContact CD2-CE2 3.78Å; L268-F306 HydrophobicContact CD2-CZ 4.11Å; L268-F306 HydrophobicContact CG-CE2 4.36Å; I271-F306 HydrophobicContact CB-CE1 4.28Å; I271-F306 HydrophobicContact CB-CZ 4.24Å; I271-F306 HydrophobicContact CG2-CE1 3.66Å; I271-F306 HydrophobicContact CG2-CZ 4.09Å; Q275-F306 HydrophobicContact CB-CD1 3.7Å; Q275-F306 HydrophobicContact CB-CE1 3.85Å; I281-F306 HydrophobicContact CD1-CB 3.57Å; I281-F306 HydrophobicContact CD1-CD1 4.18Å; I281-F306 HydrophobicContact CD1-CD2 4.32Å; I281-F306 HydrophobicContact CD1-CG 3.76Å; I303-F306 WeakPolarHBondContact O-CB 3.26Å; I303-F306 PolarHBondContact O-N 2.81Å; A304-F306 VanDerWaalsContact C-N 3.25Å; A304-F306 PolarHBondContact O-N 3.32Å
307	R	88	Confident	93.9	Very high	226 Å²	226	34.6 Å²	34.6	85%	0.853	18%	0.179	S	C	*	.	S	Bend	trans	-80.6	-28.7	176.6	-66.6	-175.5	179.4	179.4	-0	113.4
308	A	89.3	Confident	93.6	Very high	10 Å²	10	29.8 Å²	29.8	8%	0.083	16%	0.157	C	C	.	.	S	Bend	trans	-66.1	136.4	-179.1	0	0	0	0	0	109.9	F278 I281	F278-A308 HydrophobicContact CB-CB 4.31Å; F278-A308 WeakPolarHBondContact O-CB 3.24Å; I281-A308 HydrophobicContact CD1-CB 4.38Å; I281-A308 HydrophobicContact CG1-CB 4.04Å
309	P	92.7	Very high	93	Very high	48 Å²	48	31.3 Å²	31.3	31%	0.312	16%	0.163	S	C	.	.			trans	-62	152	172.9	26.2	-33.3	0	0	0	110.6	L227 L229 D279 L280 I281	L227-P309 HydrophobicContact CD2-CB 4.36Å; L229-P309 HydrophobicContact CD2-CG 3.7Å; D279-P309 WeakPolarHBondContact O-CD 3.15Å; L280-P309 HydrophobicContact CD1-CG 4.18Å; L280-P309 WeakPolarHBondContact CD1-O 3.13Å; I281-P309 PolarHBondContact N-O 3.22Å
310	C	95.9	Very high	92.1	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.034	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.7	176.9	-175.6	0	0	0	0	110.5	I281 I303 I332 S333	I281-C310 HydrophobicContact CB-CB 4Å; I281-C310 HydrophobicContact CG2-CB 4.4Å; I281-C310 VanDerWaalsContact O-CA 3.29Å; I281-C310 WeakPolarHBondContact O-CA 3.25Å; I303-C310 HydrophobicContact CG2-CB 3.59Å; C310-I332 HydrophobicContact CB-CG2 3.97Å; C310-I332 WeakPolarHBondContact O-CG2 3.44Å; C310-S333 PolarHBondContact O-N 2.86Å
311	V	95.4	Very high	91.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.8	167.5	-66.5	0	0	0	0	109.8	L227 L280 I281 V282 A283 A335 V338 L348	L227-V311 HydrophobicContact CD2-CG1 3.65Å; L280-V311 HydrophobicContact CD1-CG1 4.49Å; L280-V311 HydrophobicContact CD1-CG2 4.22Å; L280-V311 HydrophobicContact CD2-CG2 4.37Å; I281-V311 PolarHBondContact O-N 3.36Å; V282-V311 WeakPolarHBondContact CA-O 3.4Å; V282-V311 HydrophobicContact CG1-CG2 3.84Å; A283-V311 PolarHBondContact N-O 3.03Å; V311-A335 HydrophobicContact CG1-CB 4.23Å; V311-V338 HydrophobicContact CG1-CG2 3.86Å; V311-V338 HydrophobicContact CG2-CG2 4.21Å; V311-L348 HydrophobicContact CB-CD2 4.12Å; V311-L348 HydrophobicContact CG2-CD1 4.27Å; V311-L348 HydrophobicContact CG2-CD2 3.96Å
312	W	96.5	Very high	90.1	Very high	4 Å²	4	32 Å²	32	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.5	-170.3	58.1	-92.3	0	0	0	113.5	A283 M323 Y324 L327 S333 P334 K336 L348	A283-W312 HydrophobicContact CB-CB 3.89Å; A283-W312 CarbonylContact O-C 3.5Å; A283-W312 VanDerWaalsContact O-CA 3.25Å; A283-W312 WeakPolarHBondContact O-CA 3.46Å; W312-M323 HydrophobicContact CB-CE 4.21Å; W312-M323 HydrophobicContact CD2-CE 3.87Å; W312-M323 HydrophobicContact CD2-SD 4.47Å; W312-M323 HydrophobicContact CE3-CE 3.28Å; W312-M323 HydrophobicContact CE3-CG 4.15Å; W312-M323 HydrophobicContact CE3-SD 3.55Å; W312-M323 VanDerWaalsContact CE3-SD 3.55Å; W312-M323 HydrophobicContact CG-CE 4.27Å; W312-M323 HydrophobicContact CH2-CG 4.26Å; W312-M323 HydrophobicContact CH2-SD 4.34Å; W312-M323 HydrophobicContact CZ3-CE 3.89Å; W312-M323 HydrophobicContact CZ3-CG 3.94Å; W312-M323 HydrophobicContact CZ3-SD 3.47Å; W312-M323 WeakPolarHBondContact CZ3-SD 3.44Å; W312-Y324 AromaticContact CH2-CD2 3.82Å; W312-Y324 HydrophobicContact CH2-CD2 3.82Å; W312-Y324 HydrophobicContact CH2-CG 4.34Å; W312-Y324 AromaticContact CZ2-CD2 3.9Å; W312-Y324 HydrophobicContact CZ2-CD2 3.9Å; W312-Y324 HydrophobicContact CZ2-CG 4.41Å; W312-L327 HydrophobicContact CB-CD1 4.42Å; W312-L327 HydrophobicContact CD2-CD1 3.72Å; W312-L327 HydrophobicContact CE3-CD1 4.42Å; W312-L327 HydrophobicContact CG-CD1 3.69Å; W312-L327 HydrophobicContact CZ2-CD1 4.36Å; W312-S333 PolarHBondContact NE1-O 2.84Å; W312-P334 HydrophobicContact CZ2-CB 3.91Å; W312-K336 PolarHBondContact O-NZ 3.1Å; W312-L348 WeakPolarHBondContact O-CD2 3.26Å
313	L	94.9	Very high	89.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.			trans	-133.4	151.2	166.5	60	82.9	0	0	0	109.7	A283 T284 G285 L348 L384 H386	A283-L313 PolarHBondContact O-N 3.42Å; T284-L313 VanDerWaalsContact C-CD1 3.4Å; T284-L313 HydrophobicContact CG2-CD2 4.45Å; T284-L313 WeakPolarHBondContact O-CD1 3.24Å; G285-L313 WeakPolarHBondContact CA-O 3.31Å; G285-L313 PolarHBondContact N-O 2.85Å; G285-L313 VanDerWaalsContact N-O 3.1Å; L313-L348 HydrophobicContact CB-CB 4.44Å; L313-L348 HydrophobicContact CB-CD2 4.41Å; L313-L348 HydrophobicContact CD2-CB 4.11Å; L313-L348 HydrophobicContact CD2-CD2 4.43Å; L313-L348 HydrophobicContact CD2-CG 4.33Å; L313-L384 HydrophobicContact CD2-CB 3.71Å; L313-H386 HydrophobicContact CD1-CB 3.62Å
314	P	92.1	Very high	88.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.			trans	-78	150.6	-180	33.7	-36.5	0	0	0	111.8	D318 Q320 M323 D350 Q352 H386	P314-D318 HydrophobicContact CB-CB 4.08Å; P314-Q320 HydrophobicContact CB-CG 3.74Å; P314-Q320 HydrophobicContact CG-CG 3.79Å; P314-M323 HydrophobicContact CB-SD 3.84Å; P314-D350 VanDerWaalsContact CG-OD1 3.29Å; P314-D350 WeakPolarHBondContact CG-OD1 3.45Å; P314-Q352 HydrophobicContact CG-CB 4.25Å; P314-H386 WeakPolarHBondContact O-CB 3.38Å
315	G	93.6	Very high	87.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.			trans	-104.4	-179.4	165	0	0	0	0	0	112.6	G285 D286 H317 D318 Q352 H386	G285-G315 VanDerWaalsContact CA-N 3.35Å; D286-G315 WeakPolarHBondContact OD1-CA 3.27Å; G315-H317 PolarHBondContact O-N 3.33Å; G315-D318 PolarHBondContact N-OD2 2.82Å; G315-D318 PolarHBondContact O-N 2.73Å; G315-Q352 PolarHBondContact O-NE2 3.45Å; G315-H386 WeakPolarHBondContact CA-CD2 3.31Å; G315-H386 WeakPolarHBondContact CA-NE2 3.33Å
316	N	91.2	Very high	87.5	Confident	20 Å²	20	29.9 Å²	29.9	11%	0.107	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.5	-176.6	63.8	-77.6	0	0	0	113.9	D286 H386 H425	D286-N316 PolarHBondContact OD1-N 3.18Å; D286-N316 PolarHBondContact OD2-OD1 3.47Å; N316-H386 PolarHBondContact OD1-NE2 2.65Å; N316-H425 PolarHBondContact OD1-CE1 3.45Å; N316-H425 PolarHBondContact OD1-ND1 3.17Å
317	H	91.9	Very high	87.2	Confident	28 Å²	28	29.1 Å²	29.1	13%	0.13	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-20.2	175.2	-71.4	-100.4	0	0	0	112.8	H246 D286 A288 Q289 Q291 G315 Y497	H246-H317 AromaticContact CE1-CD2 3.78Å; H246-H317 AromaticContact CE1-CG 3.78Å; D286-H317 HydrophobicContact CB-CB 4.47Å; D286-H317 WeakPolarHBondContact OD1-CB 3.33Å; D286-H317 IonicContact OD1-CD2 3.51Å; D286-H317 IonicContact OD1-CG 3.42Å; D286-H317 PolarHBondContact OD1-N 3.42Å; D286-H317 IonicContact OD2-CD2 3.31Å; D286-H317 PolarHBondContact OD2-CD2 2.92Å; D286-H317 IonicContact OD2-CG 2.94Å; A288-H317 WeakPolarHBondContact O-CB 3.23Å; Q289-H317 PolarHBondContact OE1-CE1 3Å; Q289-H317 PolarHBondContact OE1-ND1 3.48Å; Q291-H317 WeakPolarHBondContact CG-O 3.45Å; Q291-H317 PolarHBondContact NE2-O 2.86Å; G315-H317 PolarHBondContact O-N 3.33Å; H317-Y497 AromaticContact CE1-CE1 3.68Å; H317-Y497 AromaticContact CE1-CZ 3.93Å; H317-Y497 AromaticContact NE2-CE1 3.26Å; H317-Y497 VanDerWaalsContact NE2-CE1 3.26Å; H317-Y497 WeakPolarHBondContact NE2-CE1 3.48Å; H317-Y497 AromaticContact NE2-CZ 3.7Å; H317-Y497 PolarHBondContact NE2-OH 3.23Å
318	D	91	Very high	86.9	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.114	C	C	.	.			trans	-74.6	153.1	-175	-70.1	-50.1	0	0	0	113.6	D286 L287 A288 Y296 P314 G315 M323 Q352	D286-D318 WeakPolarHBondContact CA-OD2 3.29Å; D286-D318 PolarHBondContact N-OD2 3.22Å; L287-D318 PolarHBondContact N-OD1 3.06Å; L287-D318 PolarHBondContact N-OD2 2.85Å; A288-D318 PolarHBondContact N-OD1 3.13Å; A288-D318 VanDerWaalsContact N-OD1 3.13Å; Y296-D318 VanDerWaalsContact CE1-OD1 3.27Å; Y296-D318 WeakPolarHBondContact CE1-OD1 3.46Å; Y296-D318 WeakPolarHBondContact OH-CA 3.47Å; Y296-D318 WeakPolarHBondContact OH-CB 3.38Å; Y296-D318 PolarHBondContact OH-OD1 3.27Å; P314-D318 HydrophobicContact CB-CB 4.08Å; G315-D318 PolarHBondContact N-OD2 2.82Å; G315-D318 PolarHBondContact O-N 2.73Å; D318-M323 HydrophobicContact CB-SD 4.1Å; D318-Q352 PolarHBondContact O-NE2 2.72Å
319	F	85.1	Confident	86.5	Confident	53 Å²	53	27.3 Å²	27.3	23%	0.232	15%	0.145	C	C	.	.			trans	-112.5	100.4	167.6	-177.6	-122.4	0	0	0	110	Q291 Y296 P321 A322 M323 F354	Q291-F319 HydrophobicContact CB-CB 3.73Å; Q291-F319 HydrophobicContact CG-CB 3.92Å; Y296-F319 PolarHBondContact OH-N 2.81Å; F319-P321 VanDerWaalsContact C-CD 3.49Å; F319-P321 HydrophobicContact CD2-CG 4.5Å; F319-P321 HydrophobicContact CE1-CB 3.93Å; F319-P321 HydrophobicContact CE1-CG 3.97Å; F319-P321 HydrophobicContact CE2-CG 3.92Å; F319-P321 HydrophobicContact CZ-CB 4.06Å; F319-P321 HydrophobicContact CZ-CG 3.63Å; F319-A322 HydrophobicContact CD1-CB 3.69Å; F319-A322 HydrophobicContact CE1-CB 4.41Å; F319-A322 PolarHBondContact O-N 2.84Å; F319-M323 WeakPolarHBondContact O-CB 3.2Å; F319-M323 PolarHBondContact O-N 3.13Å; F319-F354 AromaticContact CD2-CE2 3.9Å; F319-F354 HydrophobicContact CD2-CE2 3.9Å; F319-F354 HydrophobicContact CE2-CE2 4.13Å
320	Q	79.7	Confident	86.1	Confident	64 Å²	64	27.7 Å²	27.7	30%	0.299	15%	0.152	S	C	.	.	H	α-helix	trans	-50.4	-43.1	-170.5	-72.2	-169.4	56	0	0	115.4	P314 A322 M323 Y324 D350 Q352	P314-Q320 HydrophobicContact CB-CG 3.74Å; P314-Q320 HydrophobicContact CG-CG 3.79Å; Q320-A322 PolarHBondContact O-N 2.83Å; Q320-M323 PolarHBondContact O-N 3.19Å; Q320-Y324 VanDerWaalsContact O-CB 3.24Å; Q320-Y324 WeakPolarHBondContact O-CB 3.49Å; Q320-Y324 PolarHBondContact O-N 3.22Å; Q320-D350 PolarHBondContact NE2-OD2 2.85Å; Q320-D350 PolarHBondContact OE1-OD2 3.41Å; Q320-Q352 VanDerWaalsContact CG-OE1 3.31Å
321	P	78.3	Confident	85.5	Confident	58 Å²	58	30.5 Å²	30.5	38%	0.377	18%	0.182	S	C	.	.	H	α-helix	trans	-60.7	-44.2	178.7	-25.9	36.7	0	0	0	112.9	F319 S325	F319-P321 VanDerWaalsContact C-CD 3.49Å; F319-P321 HydrophobicContact CD2-CG 4.5Å; F319-P321 HydrophobicContact CE1-CB 3.93Å; F319-P321 HydrophobicContact CE1-CG 3.97Å; F319-P321 HydrophobicContact CE2-CG 3.92Å; F319-P321 HydrophobicContact CZ-CB 4.06Å; F319-P321 HydrophobicContact CZ-CG 3.63Å; P321-S325 WeakPolarHBondContact O-CB 3.34Å; P321-S325 PolarHBondContact O-N 2.79Å; P321-S325 VanDerWaalsContact O-N 3.11Å
322	A	72.6	Confident	85.1	Confident	7 Å²	7	31.1 Å²	31.1	6%	0.058	19%	0.185	C	C	.	.	H	α-helix	trans	-70.2	-41.9	177.9	0	0	0	0	0	111.6	Y296 F319 Q320 A326	Y296-A322 HydrophobicContact CD2-CB 4.17Å; Y296-A322 HydrophobicContact CE2-CB 3.93Å; F319-A322 HydrophobicContact CD1-CB 3.69Å; F319-A322 HydrophobicContact CE1-CB 4.41Å; F319-A322 PolarHBondContact O-N 2.84Å; Q320-A322 PolarHBondContact O-N 2.83Å; A322-A326 VanDerWaalsContact O-CB 3.28Å; A322-A326 WeakPolarHBondContact O-CB 3.27Å; A322-A326 PolarHBondContact O-N 2.87Å
323	M	83	Confident	84.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-51.4	175.7	-174.5	-174.9	-166.5	0	0	111.2	L287 Y296 W312 P314 D318 F319 Q320 L327	L287-M323 HydrophobicContact CD1-CE 3.52Å; L287-M323 HydrophobicContact CG-CE 3.96Å; Y296-M323 HydrophobicContact CD1-CB 3.98Å; Y296-M323 HydrophobicContact CD1-CG 3.82Å; Y296-M323 HydrophobicContact CD2-CB 4.34Å; Y296-M323 HydrophobicContact CE1-CB 3.62Å; Y296-M323 HydrophobicContact CE1-CG 3.6Å; Y296-M323 HydrophobicContact CE1-SD 4.35Å; Y296-M323 HydrophobicContact CE2-CB 4.02Å; Y296-M323 HydrophobicContact CG-CB 4.35Å; W312-M323 HydrophobicContact CB-CE 4.21Å; W312-M323 HydrophobicContact CD2-CE 3.87Å; W312-M323 HydrophobicContact CD2-SD 4.47Å; W312-M323 HydrophobicContact CE3-CE 3.28Å; W312-M323 HydrophobicContact CE3-CG 4.15Å; W312-M323 HydrophobicContact CE3-SD 3.55Å; W312-M323 VanDerWaalsContact CE3-SD 3.55Å; W312-M323 HydrophobicContact CG-CE 4.27Å; W312-M323 HydrophobicContact CH2-CG 4.26Å; W312-M323 HydrophobicContact CH2-SD 4.34Å; W312-M323 HydrophobicContact CZ3-CE 3.89Å; W312-M323 HydrophobicContact CZ3-CG 3.94Å; W312-M323 HydrophobicContact CZ3-SD 3.47Å; W312-M323 WeakPolarHBondContact CZ3-SD 3.44Å; P314-M323 HydrophobicContact CB-SD 3.84Å; D318-M323 HydrophobicContact CB-SD 4.1Å; F319-M323 WeakPolarHBondContact O-CB 3.2Å; F319-M323 PolarHBondContact O-N 3.13Å; Q320-M323 PolarHBondContact O-N 3.19Å; M323-L327 HydrophobicContact CE-CD1 4.01Å; M323-L327 HydrophobicContact CG-CD1 3.67Å; M323-L327 HydrophobicContact CG-CG 4.39Å; M323-L327 VanDerWaalsContact O-CB 3.26Å; M323-L327 WeakPolarHBondContact O-CB 3.35Å; M323-L327 WeakPolarHBondContact O-CG 3.12Å; M323-L327 PolarHBondContact O-N 3.41Å
324	Y	79.4	Confident	83.9	Confident	54 Å²	54	32.8 Å²	32.8	21%	0.212	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-51.6	-179.5	-172.7	-82.8	0	0	0	111	F222 W312 Q320 Q328 P334	F222-Y324 HydrophobicContact CD1-CE1 4.44Å; W312-Y324 AromaticContact CH2-CD2 3.82Å; W312-Y324 HydrophobicContact CH2-CD2 3.82Å; W312-Y324 HydrophobicContact CH2-CG 4.34Å; W312-Y324 AromaticContact CZ2-CD2 3.9Å; W312-Y324 HydrophobicContact CZ2-CD2 3.9Å; W312-Y324 HydrophobicContact CZ2-CG 4.41Å; Q320-Y324 VanDerWaalsContact O-CB 3.24Å; Q320-Y324 WeakPolarHBondContact O-CB 3.49Å; Q320-Y324 PolarHBondContact O-N 3.22Å; Y324-Q328 HydrophobicContact CD1-CB 4.47Å; Y324-Q328 HydrophobicContact CE1-CB 4.4Å; Y324-Q328 HydrophobicContact CE1-CG 4.45Å; Y324-Q328 WeakPolarHBondContact O-CB 3.36Å; Y324-Q328 PolarHBondContact O-N 3.22Å; Y324-P334 HydrophobicContact CD2-CB 4.12Å; Y324-P334 HydrophobicContact CE2-CB 3.55Å; Y324-P334 HydrophobicContact CE2-CG 4.04Å
325	S	74.4	Confident	83.5	Confident	27 Å²	27	33.1 Å²	33.1	19%	0.189	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-54.9	-178.9	-173.5	0	0	0	0	111.6	P321 L327 Q328 D329	P321-S325 WeakPolarHBondContact O-CB 3.34Å; P321-S325 PolarHBondContact O-N 2.79Å; P321-S325 VanDerWaalsContact O-N 3.11Å; S325-L327 PolarHBondContact O-N 3.43Å; S325-Q328 PolarHBondContact O-N 2.87Å; S325-D329 WeakPolarHBondContact O-CB 3.37Å; S325-D329 VanDerWaalsContact O-CG 3.27Å; S325-D329 PolarHBondContact O-N 2.99Å
326	A	81.1	Confident	83.3	Confident	7 Å²	7	35.9 Å²	35.9	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-41.8	-176.1	0	0	0	0	0	113.2	Q297 A322 A330	Q297-A326 HydrophobicContact CG-CB 4.37Å; A322-A326 VanDerWaalsContact O-CB 3.28Å; A322-A326 WeakPolarHBondContact O-CB 3.27Å; A322-A326 PolarHBondContact O-N 2.87Å; A326-A330 WeakPolarHBondContact O-CB 3.36Å; A326-A330 PolarHBondContact O-N 2.6Å; A326-A330 VanDerWaalsContact O-N 3.13Å
327	L	84.8	Confident	83.3	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-73	-36.2	179.7	-62.8	-178.7	0	0	0	111.7	L287 F299 A300 W312 M323 S325 A330 G331 I332	L287-L327 HydrophobicContact CD1-CD1 4.24Å; F299-L327 HydrophobicContact CD1-CD2 3.79Å; F299-L327 HydrophobicContact CE1-CD2 4.4Å; A300-L327 HydrophobicContact CB-CD2 4.19Å; W312-L327 HydrophobicContact CB-CD1 4.42Å; W312-L327 HydrophobicContact CD2-CD1 3.72Å; W312-L327 HydrophobicContact CE3-CD1 4.42Å; W312-L327 HydrophobicContact CG-CD1 3.69Å; W312-L327 HydrophobicContact CZ2-CD1 4.36Å; M323-L327 HydrophobicContact CE-CD1 4.01Å; M323-L327 HydrophobicContact CG-CD1 3.67Å; M323-L327 HydrophobicContact CG-CG 4.39Å; M323-L327 VanDerWaalsContact O-CB 3.26Å; M323-L327 WeakPolarHBondContact O-CB 3.35Å; M323-L327 WeakPolarHBondContact O-CG 3.12Å; M323-L327 PolarHBondContact O-N 3.41Å; S325-L327 PolarHBondContact O-N 3.43Å; L327-A330 CarbonylContact O-C 3.57Å; L327-A330 PolarHBondContact O-N 2.68Å; L327-G331 PolarHBondContact O-N 2.72Å; L327-I332 HydrophobicContact CB-CB 4.19Å; L327-I332 HydrophobicContact CB-CG2 4.48Å; L327-I332 HydrophobicContact CD2-CD1 3.94Å; L327-I332 WeakPolarHBondContact O-CB 3.25Å; L327-I332 PolarHBondContact O-N 3.42Å
328	Q	82.6	Confident	83.1	Confident	62 Å²	62	34.7 Å²	34.7	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-65.1	-43.1	175.1	179.9	58.2	79.2	0	0	111.6	Y324 S325 A330 G331	Y324-Q328 HydrophobicContact CD1-CB 4.47Å; Y324-Q328 HydrophobicContact CE1-CB 4.4Å; Y324-Q328 HydrophobicContact CE1-CG 4.45Å; Y324-Q328 WeakPolarHBondContact O-CB 3.36Å; Y324-Q328 PolarHBondContact O-N 3.22Å; S325-Q328 PolarHBondContact O-N 2.87Å; Q328-A330 VanDerWaalsContact C-N 3.26Å; Q328-A330 PolarHBondContact O-N 3.39Å; Q328-G331 PolarHBondContact O-N 3.36Å
329	D	80.6	Confident	83	Confident	135 Å²	135	36.1 Å²	36.1	72%	0.722	21%	0.211	S	C	*	.	H	α-helix	trans	-63.5	-33.9	176.2	-74.1	-10.7	0	0	0	111.7	S325 G331	S325-D329 WeakPolarHBondContact O-CB 3.37Å; S325-D329 VanDerWaalsContact O-CG 3.27Å; S325-D329 PolarHBondContact O-N 2.99Å; D329-G331 PolarHBondContact O-N 3.5Å
330	A	84.6	Confident	83.1	Confident	57 Å²	57	33.7 Å²	33.7	47%	0.471	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1.6	173.5	0	0	0	0	0	114.2	A300 A326 L327 Q328 I332	A300-A330 HydrophobicContact CB-CB 3.46Å; A300-A330 VanDerWaalsContact CB-CB 3.46Å; A326-A330 WeakPolarHBondContact O-CB 3.36Å; A326-A330 PolarHBondContact O-N 2.6Å; A326-A330 VanDerWaalsContact O-N 3.13Å; L327-A330 CarbonylContact O-C 3.57Å; L327-A330 PolarHBondContact O-N 2.68Å; Q328-A330 VanDerWaalsContact C-N 3.26Å; Q328-A330 PolarHBondContact O-N 3.39Å; A330-I332 VanDerWaalsContact C-N 3.32Å; A330-I332 PolarHBondContact O-N 2.67Å
331	G	82.6	Confident	83.3	Confident	63 Å²	63	31.3 Å²	31.3	65%	0.649	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	11.3	178.6	0	0	0	0	0	115.2	L327 Q328 D329	L327-G331 PolarHBondContact O-N 2.72Å; Q328-G331 PolarHBondContact O-N 3.36Å; D329-G331 PolarHBondContact O-N 3.5Å
332	I	87.5	Confident	83.7	Confident	14 Å²	14	35.5 Å²	35.5	7%	0.072	21%	0.207	C	C	.	.			trans	-79.1	133.2	175.1	-64.5	175.1	0	0	0	109.2	F299 A300 I303 C310 L327 A330	F299-I332 HydrophobicContact CD1-CD1 4.47Å; F299-I332 HydrophobicContact CE1-CD1 4.39Å; A300-I332 HydrophobicContact CB-CD1 3.73Å; I303-I332 HydrophobicContact CB-CD1 4.14Å; I303-I332 HydrophobicContact CG2-CD1 4.07Å; C310-I332 HydrophobicContact CB-CG2 3.97Å; C310-I332 WeakPolarHBondContact O-CG2 3.44Å; L327-I332 HydrophobicContact CB-CB 4.19Å; L327-I332 HydrophobicContact CB-CG2 4.48Å; L327-I332 HydrophobicContact CD2-CD1 3.94Å; L327-I332 WeakPolarHBondContact O-CB 3.25Å; L327-I332 PolarHBondContact O-N 3.42Å; A330-I332 VanDerWaalsContact C-N 3.32Å; A330-I332 PolarHBondContact O-N 2.67Å
333	S	84.1	Confident	84.5	Confident	19 Å²	19	38.8 Å²	38.8	13%	0.133	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-74.7	127.4	-169.5	-177.5	0	0	0	0	112.4	C310 W312 A335	C310-S333 PolarHBondContact O-N 2.86Å; W312-S333 PolarHBondContact NE1-O 2.84Å; S333-A335 PolarHBondContact O-N 2.82Å; S333-A335 VanDerWaalsContact OG-CB 3.26Å; S333-A335 WeakPolarHBondContact OG-CB 3.41Å; S333-A335 PolarHBondContact OG-N 3.1Å
334	P	81.2	Confident	85.1	Confident	19 Å²	19	39 Å²	39	12%	0.123	22%	0.222	C	C	.	.			trans	-80.8	9.3	171.8	35.3	-36.8	0	0	0	113	W312 Y324 K336	W312-P334 HydrophobicContact CZ2-CB 3.91Å; Y324-P334 HydrophobicContact CD2-CB 4.12Å; Y324-P334 HydrophobicContact CE2-CB 3.55Å; Y324-P334 HydrophobicContact CE2-CG 4.04Å; P334-K336 PolarHBondContact O-N 2.86Å
335	A	84.2	Confident	85.8	Confident	7 Å²	7	36.5 Å²	36.5	6%	0.058	21%	0.212	C	C	.	.			trans	-56.5	127.4	-176.3	0	0	0	0	0	111.8	R225 L227 V311 S333	R225-A335 WeakPolarHBondContact O-CB 3.32Å; L227-A335 HydrophobicContact CB-CB 3.91Å; V311-A335 HydrophobicContact CG1-CB 4.23Å; S333-A335 PolarHBondContact O-N 2.82Å; S333-A335 VanDerWaalsContact OG-CB 3.26Å; S333-A335 WeakPolarHBondContact OG-CB 3.41Å; S333-A335 PolarHBondContact OG-N 3.1Å
336	K	88.9	Confident	86.9	Confident	59 Å²	59	35.2 Å²	35.2	26%	0.257	20%	0.203	S	C	.	.	S	Bend	trans	-95.4	-8.6	175.9	-56.7	-58.9	174.9	-179.2	0	113.7	W312 P334 L347 L348 W368	W312-K336 PolarHBondContact O-NZ 3.1Å; P334-K336 PolarHBondContact O-N 2.86Å; K336-L347 WeakPolarHBondContact O-CA 3.48Å; K336-L348 HydrophobicContact CD-CB 4.1Å; K336-L348 PolarHBondContact O-N 3.01Å; K336-W368 HydrophobicContact CB-CH2 4.04Å; K336-W368 HydrophobicContact CB-CZ2 4.03Å; K336-W368 WeakPolarHBondContact O-CH2 3.34Å
337	R	91.5	Very high	87.7	Confident	23 Å²	23	34.9 Å²	34.9	9%	0.087	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128	172.7	-178.8	170.6	-170.7	-154.4	13.8	109.3	F339 Q345 I346 L347 W368 K372 D375 A376	R337-F339 VanDerWaalsContact NH2-CZ 3.32Å; R337-Q345 VanDerWaalsContact NH2-OE1 3.1Å; R337-I346 VanDerWaalsContact CA-O 3.31Å; R337-I346 WeakPolarHBondContact CA-O 3.34Å; R337-L347 HydrophobicContact CB-CD2 3.88Å; R337-L347 HydrophobicContact CG-CD2 3.58Å; R337-W368 HydrophobicContact CB-CH2 4.33Å; R337-W368 HydrophobicContact CB-CZ2 4.32Å; R337-K372 PolarHBondContact NH2-O 3.49Å; R337-D375 IonicContact CZ-OD2 3.05Å; R337-D375 IonicContact NH1-OD2 2.92Å; R337-D375 PolarHBondContact NH1-OD2 3.26Å; R337-D375 IonicContact NH2-OD2 3.02Å; R337-D375 PolarHBondContact NH2-OD2 2.86Å; R337-A376 VanDerWaalsContact NH2-CB 3.33Å
338	V	88.9	Confident	88.3	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125	176.4	-172.7	0	0	0	0	108.5	L227 L229 L280 V311 I340 Q345 I346	L227-V338 HydrophobicContact CB-CG1 4.39Å; L227-V338 HydrophobicContact CB-CG2 4.38Å; L227-V338 HydrophobicContact CD2-CG1 4.1Å; L227-V338 HydrophobicContact CD2-CG2 4.19Å; L227-V338 HydrophobicContact CG-CG1 4.21Å; L227-V338 WeakPolarHBondContact O-CA 3.3Å; L229-V338 HydrophobicContact CD1-CG1 4.29Å; L229-V338 HydrophobicContact CG-CG1 4.3Å; L280-V338 HydrophobicContact CD2-CG1 4.43Å; V311-V338 HydrophobicContact CG1-CG2 3.86Å; V311-V338 HydrophobicContact CG2-CG2 4.21Å; V338-I340 HydrophobicContact CG1-CG1 4.29Å; V338-Q345 CarbonylContact O-C 3.6Å; V338-Q345 VanDerWaalsContact O-CA 3.27Å; V338-Q345 WeakPolarHBondContact O-CA 3.47Å; V338-I346 HydrophobicContact CB-CB 4.18Å; V338-I346 PolarHBondContact N-O 3.31Å; V338-I346 PolarHBondContact O-N 3.26Å
339	F	88.3	Confident	88.9	Confident	31 Å²	31	32 Å²	32	14%	0.136	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.1	169.8	-71.9	-61.3	0	0	0	110.3	L226 L227 T228 L229 R337 Q345 A376	L226-F339 HydrophobicContact CD1-CD2 3.98Å; L226-F339 HydrophobicContact CD1-CE2 3.88Å; L226-F339 HydrophobicContact CD2-CD2 4Å; L226-F339 HydrophobicContact CD2-CE2 4.04Å; L226-F339 HydrophobicContact CG-CD2 4.25Å; L226-F339 HydrophobicContact CG-CE2 4.44Å; L227-F339 PolarHBondContact O-N 3.06Å; L227-F339 VanDerWaalsContact O-N 3.12Å; T228-F339 HydrophobicContact CG2-CB 4.39Å; L229-F339 PolarHBondContact N-O 2.88Å; R337-F339 VanDerWaalsContact NH2-CZ 3.32Å; F339-Q345 HydrophobicContact CD1-CB 4.05Å; F339-Q345 HydrophobicContact CE1-CB 4.31Å; F339-A376 HydrophobicContact CE1-CB 4.49Å
340	I	87.8	Confident	89.4	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	100.6	-179.6	-66.8	-177.5	0	0	0	107	L229 L231 V237 I239 V338 W344 I346 L470	L229-I340 HydrophobicContact CD1-CG1 4.27Å; L231-I340 HydrophobicContact CD1-CG2 3.61Å; V237-I340 HydrophobicContact CB-CG2 3.96Å; V237-I340 HydrophobicContact CG1-CD1 4.21Å; V237-I340 HydrophobicContact CG1-CG2 4.04Å; V237-I340 HydrophobicContact CG2-CG2 3.35Å; I239-I340 HydrophobicContact CD1-CD1 4.38Å; V338-I340 HydrophobicContact CG1-CG1 4.29Å; I340-W344 HydrophobicContact CB-CB 3.72Å; I340-W344 HydrophobicContact CG2-CB 4Å; I340-W344 PolarHBondContact N-O 3.39Å; I340-W344 PolarHBondContact O-N 3.23Å; I340-I346 HydrophobicContact CD1-CD1 3.39Å; I340-I346 HydrophobicContact CD1-CG1 3.7Å; I340-I346 HydrophobicContact CG1-CD1 4.48Å; I340-L470 HydrophobicContact CD1-CD1 3.73Å
341	G	83	Confident	89.8	Confident	15 Å²	15	24.1 Å²	24.1	16%	0.155	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-141.9	-171.4	0	0	0	0	0	112.2	L229 R379	L229-G341 PolarHBondContact O-N 2.92Å; G341-R379 PolarHBondContact O-NH1 3.36Å
342	E	85.8	Confident	90.1	Very high	146 Å²	146	22.3 Å²	22.3	68%	0.682	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-15.1	178.3	-65	-55.1	147.1	0	0	113.6	R379	E342-R379 PolarHBondContact O-NH1 2.7Å; E342-R379 IonicContact OE2-CZ 2.86Å; E342-R379 IonicContact OE2-NH2 2.63Å; E342-R379 PolarHBondContact OE2-NH2 2.94Å
343	Q	90.4	Very high	89.9	Confident	75 Å²	75	23.8 Å²	23.8	35%	0.35	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-30.5	-167.2	-57.6	81.7	-3.2	0	0	113.1	R379 H380	Q343-R379 CarbonylContact O-C 3.57Å; Q343-R379 WeakPolarHBondContact O-CA 3.44Å; Q343-H380 PolarHBondContact O-N 3.1Å
344	W	95	Very high	89.7	Confident	6 Å²	6	29.7 Å²	29.7	2%	0.023	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.5	-171.4	-80.2	95.2	0	0	0	112.8	I340 R379 H380 L382 Y420 L470 H471 G474	I340-W344 HydrophobicContact CB-CB 3.72Å; I340-W344 HydrophobicContact CG2-CB 4Å; I340-W344 PolarHBondContact N-O 3.39Å; I340-W344 PolarHBondContact O-N 3.23Å; W344-R379 PolarHBondContact O-NH1 3.35Å; W344-H380 CarbonylContact C-O 3.54Å; W344-H380 WeakPolarHBondContact CA-O 3.33Å; W344-H380 HydrophobicContact CD2-CB 3.51Å; W344-H380 HydrophobicContact CE3-CB 3.48Å; W344-H380 VanDerWaalsContact CE3-CB 3.48Å; W344-H380 VanDerWaalsContact CE3-O 3.23Å; W344-H380 HydrophobicContact CG-CB 4.22Å; W344-H380 HydrophobicContact CH2-CB 3.85Å; W344-H380 HydrophobicContact CZ2-CB 3.87Å; W344-H380 HydrophobicContact CZ3-CB 3.64Å; W344-L382 HydrophobicContact CZ3-CB 4.27Å; W344-Y420 AromaticContact CH2-CD2 3.73Å; W344-Y420 HydrophobicContact CH2-CD2 3.73Å; W344-Y420 AromaticContact CH2-CE2 3.64Å; W344-Y420 HydrophobicContact CH2-CE2 3.64Å; W344-Y420 HydrophobicContact CZ3-CD2 4.05Å; W344-Y420 HydrophobicContact CZ3-CE2 4.39Å; W344-L470 HydrophobicContact CB-CD1 4.42Å; W344-L470 HydrophobicContact CD2-CB 4.19Å; W344-L470 HydrophobicContact CD2-CD1 3.92Å; W344-L470 HydrophobicContact CD2-CG 4.46Å; W344-L470 HydrophobicContact CE3-CD1 3.99Å; W344-L470 HydrophobicContact CE3-CD2 4.38Å; W344-L470 HydrophobicContact CG-CB 4.41Å; W344-L470 HydrophobicContact CG-CD1 4.13Å; W344-L470 HydrophobicContact CH2-CD2 4.03Å; W344-L470 HydrophobicContact CZ2-CB 4.18Å; W344-L470 HydrophobicContact CZ2-CD2 4.2Å; W344-L470 HydrophobicContact CZ3-CD2 4.13Å; W344-H471 PolarHBondContact NE1-O 2.95Å; W344-G474 VanDerWaalsContact CZ2-C 3.45Å; W344-G474 VanDerWaalsContact CZ2-CA 3.44Å
345	Q	95.3	Very high	89.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.4	160.7	66.6	-175.6	-32.6	0	0	110.7	R337 V338 F339 A376 R379 H380 T381 L382	R337-Q345 VanDerWaalsContact NH2-OE1 3.1Å; V338-Q345 CarbonylContact O-C 3.6Å; V338-Q345 VanDerWaalsContact O-CA 3.27Å; V338-Q345 WeakPolarHBondContact O-CA 3.47Å; F339-Q345 HydrophobicContact CD1-CB 4.05Å; F339-Q345 HydrophobicContact CE1-CB 4.31Å; Q345-A376 PolarHBondContact NE2-O 3.28Å; Q345-R379 HydrophobicContact CG-CB 4.17Å; Q345-H380 PolarHBondContact N-O 3.47Å; Q345-T381 HydrophobicContact CG-CG2 4.02Å; Q345-T381 VanDerWaalsContact CG-OG1 3.25Å; Q345-T381 WeakPolarHBondContact CG-OG1 3.43Å; Q345-T381 PolarHBondContact NE2-OG1 3.28Å; Q345-T381 VanDerWaalsContact NE2-OG1 3.1Å; Q345-T381 WeakPolarHBondContact O-CA 3.23Å; Q345-L382 PolarHBondContact O-N 3.11Å
346	I	97.6	Very high	89.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.2	169.5	-56.2	179.1	0	0	0	107.5	I239 L280 R337 V338 I340 L348 L382 L384	I239-I346 HydrophobicContact CD1-CD1 3.6Å; L280-I346 HydrophobicContact CD2-CD1 3.44Å; L280-I346 VanDerWaalsContact CD2-CD1 3.44Å; R337-I346 VanDerWaalsContact CA-O 3.31Å; R337-I346 WeakPolarHBondContact CA-O 3.34Å; V338-I346 HydrophobicContact CB-CB 4.18Å; V338-I346 PolarHBondContact N-O 3.31Å; V338-I346 PolarHBondContact O-N 3.26Å; I340-I346 HydrophobicContact CD1-CD1 3.39Å; I340-I346 HydrophobicContact CD1-CG1 3.7Å; I340-I346 HydrophobicContact CG1-CD1 4.48Å; I346-L348 HydrophobicContact CG2-CD1 3.76Å; I346-L382 WeakPolarHBondContact CA-O 3.07Å; I346-L382 HydrophobicContact CG1-CB 4.39Å; I346-L384 HydrophobicContact CG2-CD1 3.51Å; I346-L384 HydrophobicContact CG2-CD2 3.91Å; I346-L384 HydrophobicContact CG2-CG 4.29Å
347	L	97	Very high	89.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.4	174.3	-60.6	-179.3	0	0	0	109	K336 R337 W368 L369 K372 L373 T381 L382 L383 L384	K336-L347 WeakPolarHBondContact O-CA 3.48Å; R337-L347 HydrophobicContact CB-CD2 3.88Å; R337-L347 HydrophobicContact CG-CD2 3.58Å; L347-W368 HydrophobicContact CB-CH2 4.45Å; L347-W368 HydrophobicContact CB-CZ3 4.26Å; L347-W368 HydrophobicContact CD2-CH2 3.82Å; L347-W368 HydrophobicContact CD2-CZ3 4.19Å; L347-L369 HydrophobicContact CD1-CD1 3.78Å; L347-K372 HydrophobicContact CD1-CB 4.21Å; L347-K372 HydrophobicContact CD2-CB 4.04Å; L347-L373 HydrophobicContact CD1-CD2 3.71Å; L347-L373 HydrophobicContact CD1-CG 4.01Å; L347-T381 HydrophobicContact CB-CG2 4.5Å; L347-T381 HydrophobicContact CD1-CG2 3.94Å; L347-T381 HydrophobicContact CG-CG2 4Å; L347-L382 PolarHBondContact N-O 3.33Å; L347-L383 HydrophobicContact CB-CD1 3.77Å; L347-L384 PolarHBondContact O-N 2.75Å
348	L	97.4	Very high	89.8	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.3	179.3	-69	77.4	0	0	0	108.2	V311 W312 L313 K336 I346 L384	V311-L348 HydrophobicContact CB-CD2 4.12Å; V311-L348 HydrophobicContact CG2-CD1 4.27Å; V311-L348 HydrophobicContact CG2-CD2 3.96Å; W312-L348 WeakPolarHBondContact O-CD2 3.26Å; L313-L348 HydrophobicContact CB-CB 4.44Å; L313-L348 HydrophobicContact CB-CD2 4.41Å; L313-L348 HydrophobicContact CD2-CB 4.11Å; L313-L348 HydrophobicContact CD2-CD2 4.43Å; L313-L348 HydrophobicContact CD2-CG 4.33Å; K336-L348 HydrophobicContact CD-CB 4.1Å; K336-L348 PolarHBondContact O-N 3.01Å; I346-L348 HydrophobicContact CG2-CD1 3.76Å; L348-L384 HydrophobicContact CD1-CD2 4.31Å; L348-L384 HydrophobicContact CD2-CD2 4.35Å; L348-L384 HydrophobicContact CG-CB 4.05Å; L348-L384 HydrophobicContact CG-CD2 3.92Å
349	L	95.3	Very high	90	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.9	177.2	-59.8	-178.9	0	0	0	110.8	L361 W368 L369 L383 L384 L385 L408	L349-L361 HydrophobicContact CB-CD2 3.78Å; L349-L361 HydrophobicContact CD1-CD1 3.85Å; L349-L361 HydrophobicContact CD1-CD2 4.07Å; L349-W368 HydrophobicContact CD2-CE3 4.03Å; L349-W368 HydrophobicContact CD2-CZ3 3.98Å; L349-L369 HydrophobicContact CD1-CD2 4.04Å; L349-L369 HydrophobicContact CD2-CB 4.12Å; L349-L369 HydrophobicContact CD2-CD1 4.29Å; L349-L383 HydrophobicContact CD1-CD1 3.74Å; L349-L383 HydrophobicContact CD1-CD2 3.9Å; L349-L383 HydrophobicContact CD1-CG 4.07Å; L349-L383 HydrophobicContact CD2-CD1 4.38Å; L349-L383 HydrophobicContact CG-CD1 3.73Å; L349-L383 HydrophobicContact CG-CG 4.4Å; L349-L384 PolarHBondContact N-O 3.35Å; L349-L385 HydrophobicContact CB-CB 4.34Å; L349-L408 HydrophobicContact CD1-CD1 4.13Å
350	D	90.5	Very high	90.1	Very high	26 Å²	26	35.6 Å²	35.6	14%	0.139	20%	0.198	C	C	.	.			trans	-84.1	114.6	167.9	-175.4	3.8	0	0	0	109	P314 Q320 Q352 L361 Q365	P314-D350 VanDerWaalsContact CG-OD1 3.29Å; P314-D350 WeakPolarHBondContact CG-OD1 3.45Å; Q320-D350 PolarHBondContact NE2-OD2 2.85Å; Q320-D350 PolarHBondContact OE1-OD2 3.41Å; D350-Q352 WeakPolarHBondContact OD1-CB 3.31Å; D350-Q352 PolarHBondContact OD1-N 3.2Å; D350-L361 WeakPolarHBondContact O-CD2 3.49Å; D350-Q365 WeakPolarHBondContact O-CG 3.42Å
351	S	93.2	Very high	90.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.			trans	-108	6.6	176.9	54.3	0	0	0	0	112	V353 G359 E360 H387	S351-V353 PolarHBondContact O-N 3.06Å; S351-G359 CarbonylContact O-C 3.56Å; S351-G359 WeakPolarHBondContact O-CA 3.14Å; S351-E360 CarbonylContact C-O 3.32Å; S351-E360 PolarHBondContact O-N 2.97Å; S351-H387 PolarHBondContact O-ND1 3.5Å; S351-H387 PolarHBondContact OG-N 2.93Å; S351-H387 PolarHBondContact OG-ND1 2.64Å
352	Q	89	Confident	90.1	Very high	26 Å²	26	37.6 Å²	37.6	12%	0.121	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-69.9	130.6	-175.8	-172.3	-169.5	59.8	0	0	111	P314 G315 D318 Q320 D350	P314-Q352 HydrophobicContact CG-CB 4.25Å; G315-Q352 PolarHBondContact O-NE2 3.45Å; D318-Q352 PolarHBondContact O-NE2 2.72Å; Q320-Q352 VanDerWaalsContact CG-OE1 3.31Å; D350-Q352 WeakPolarHBondContact OD1-CB 3.31Å; D350-Q352 PolarHBondContact OD1-N 3.2Å
353	V	82.5	Confident	89.9	Confident	45 Å²	45	38 Å²	38	27%	0.273	21%	0.211	S	C	.	.			trans	-110.4	116.2	163.6	-173.7	0	0	0	0	107.8	S351 G355 V356 E360	S351-V353 PolarHBondContact O-N 3.06Å; V353-G355 PolarHBondContact O-N 3.22Å; V353-V356 HydrophobicContact CB-CG2 3.46Å; V353-V356 VanDerWaalsContact CB-CG2 3.46Å; V353-V356 HydrophobicContact CG1-CG2 3.43Å; V353-V356 VanDerWaalsContact CG1-CG2 3.43Å; V353-V356 WeakPolarHBondContact O-CG2 3.33Å; V353-V356 PolarHBondContact O-N 2.59Å; V353-E360 HydrophobicContact CG2-CB 3.43Å; V353-E360 VanDerWaalsContact CG2-CB 3.43Å
354	F	80.1	Confident	89.3	Confident	143 Å²	143	37.6 Å²	37.6	63%	0.627	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	130.3	-174.2	-179.9	-102.2	0	0	0	112.2	F319	F319-F354 AromaticContact CD2-CE2 3.9Å; F319-F354 HydrophobicContact CD2-CE2 3.9Å; F319-F354 HydrophobicContact CE2-CE2 4.13Å
355	G	79.4	Confident	88.9	Confident	68 Å²	68	38.6 Å²	38.6	70%	0.701	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	6.2	174.1	0	0	0	0	0	115.4	V353	V353-G355 PolarHBondContact O-N 3.22Å
356	V	84.9	Confident	88.6	Confident	49 Å²	49	39.2 Å²	39.2	30%	0.297	22%	0.217	S	C	.	.	S	Bend	trans	-136	151.3	176.8	-63.9	0	0	0	0	110.8	V353 H358	V353-V356 HydrophobicContact CB-CG2 3.46Å; V353-V356 VanDerWaalsContact CB-CG2 3.46Å; V353-V356 HydrophobicContact CG1-CG2 3.43Å; V353-V356 VanDerWaalsContact CG1-CG2 3.43Å; V353-V356 WeakPolarHBondContact O-CG2 3.33Å; V353-V356 PolarHBondContact O-N 2.59Å; V356-H358 VanDerWaalsContact CB-CE1 3.49Å; V356-H358 WeakPolarHBondContact CB-CE1 3.48Å; V356-H358 WeakPolarHBondContact CG2-CE1 3.42Å
357	P	90.3	Very high	87.9	Confident	48 Å²	48	42.8 Å²	42.8	31%	0.312	23%	0.233	S	C	.	.	S	Bend	trans	-82.5	-12.7	-173.9	32.4	-37.7	0	0	0	114.4	H387 H400 H425	P357-H387 PolarHBondContact O-NE2 3.1Å; P357-H400 HydrophobicContact CB-CB 4.34Å; P357-H400 WeakPolarHBondContact CG-CD2 3.41Å; P357-H400 WeakPolarHBondContact CG-NE2 3.44Å; P357-H425 PolarHBondContact O-CE1 3.35Å
358	H	93.5	Very high	87.5	Confident	14 Å²	14	44.2 Å²	44.2	7%	0.065	24%	0.238	C	C	.	.	S	Bend	trans	-87.5	155.7	179.2	62.7	-90.6	0	0	0	111.5	V356 H400 R403	V356-H358 VanDerWaalsContact CB-CE1 3.49Å; V356-H358 WeakPolarHBondContact CB-CE1 3.48Å; V356-H358 WeakPolarHBondContact CG2-CE1 3.42Å; H358-H400 WeakPolarHBondContact CA-O 3.43Å; H358-R403 HydrophobicContact CB-CG 4.28Å; H358-R403 WeakPolarHBondContact CD2-CD 3.08Å; H358-R403 PolarHBondContact CD2-NE 3.28Å; H358-R403 PolarHBondContact CE1-NH1 2.75Å; H358-R403 PolarHBondContact CE1-NH2 2.83Å; H358-R403 VanDerWaalsContact CE1-NH2 3.28Å; H358-R403 VanDerWaalsContact CG-NE 3.29Å; H358-R403 PolarHBondContact ND1-NH2 3.38Å; H358-R403 PolarHBondContact NE2-NE 3.3Å; H358-R403 PolarHBondContact NE2-NH1 3.17Å
359	G	93.8	Very high	87.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-92.1	153	173.4	0	0	0	0	0	113.5	S351 H387 S401 L402 R403	S351-G359 CarbonylContact O-C 3.56Å; S351-G359 WeakPolarHBondContact O-CA 3.14Å; G359-H387 VanDerWaalsContact CA-ND1 3.27Å; G359-H387 WeakPolarHBondContact CA-ND1 3.34Å; G359-H387 PolarHBondContact N-CD2 2.76Å; G359-H387 VanDerWaalsContact N-CD2 3.28Å; G359-H387 PolarHBondContact N-NE2 3.31Å; G359-S401 PolarHBondContact N-O 2.81Å; G359-L402 WeakPolarHBondContact O-CA 3.45Å; G359-R403 PolarHBondContact O-N 2.8Å
360	E	90.8	Very high	87.3	Confident	84 Å²	84	47.3 Å²	47.3	39%	0.393	25%	0.253	S	S	.	.			trans	-151.7	131.7	166.8	-162.1	171.8	145.2	0	0	108.7	S351 V353 N404	S351-E360 CarbonylContact C-O 3.32Å; S351-E360 PolarHBondContact O-N 2.97Å; V353-E360 HydrophobicContact CG2-CB 3.43Å; V353-E360 VanDerWaalsContact CG2-CB 3.43Å; E360-N404 HydrophobicContact CG-CB 4.36Å
361	L	88.9	Confident	87.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.261	C	S	.	.			trans	-82.4	122.5	171.3	-66.4	175.8	0	0	0	108.1	L349 D350 Q365 L366 L402 N404 L408	L349-L361 HydrophobicContact CB-CD2 3.78Å; L349-L361 HydrophobicContact CD1-CD1 3.85Å; L349-L361 HydrophobicContact CD1-CD2 4.07Å; D350-L361 WeakPolarHBondContact O-CD2 3.49Å; L361-Q365 HydrophobicContact CB-CB 4.22Å; L361-Q365 HydrophobicContact CD2-CB 4.17Å; L361-L366 HydrophobicContact CB-CD2 4.14Å; L361-L366 HydrophobicContact CB-CG 4.07Å; L361-L366 HydrophobicContact CD1-CD2 3.82Å; L361-L402 HydrophobicContact CD1-CD2 4.27Å; L361-L402 HydrophobicContact CG-CD1 3.98Å; L361-L402 HydrophobicContact CG-CD2 4.39Å; L361-N404 PolarHBondContact N-OD1 2.53Å; L361-N404 PolarHBondContact O-ND2 2.91Å; L361-L408 HydrophobicContact CD1-CB 4.03Å; L361-L408 HydrophobicContact CD1-CD1 3.77Å; L361-L408 HydrophobicContact CD1-CD2 4.06Å; L361-L408 HydrophobicContact CD1-CG 4.15Å
362	S	82.2	Confident	86.9	Confident	56 Å²	56	51.8 Å²	51.8	39%	0.392	27%	0.269	S	S	.	.			trans	-63.5	158.5	172.8	62.7	0	0	0	0	111.1	F364 Q365 L366	S362-F364 PolarHBondContact O-N 3.33Å; S362-F364 VanDerWaalsContact O-N 3.11Å; S362-Q365 WeakPolarHBondContact O-CB 3.28Å; S362-Q365 PolarHBondContact O-N 3.47Å; S362-Q365 WeakPolarHBondContact OG-CG 3.47Å; S362-Q365 PolarHBondContact OG-N 2.98Å; S362-L366 PolarHBondContact O-N 3.08Å; S362-L366 VanDerWaalsContact O-N 3.11Å
363	E	80.5	Confident	87.3	Confident	156 Å²	156	50.8 Å²	50.8	73%	0.729	26%	0.264	S	S	*	.	H	α-helix	trans	-50	-38.3	170.8	-66.6	-177.7	165.4	0	0	111	L366 E367	E363-L366 PolarHBondContact O-N 3.34Å; E363-E367 WeakPolarHBondContact O-CB 3.38Å; E363-E367 WeakPolarHBondContact O-CG 3.49Å; E363-E367 PolarHBondContact O-N 3.02Å
364	F	77.2	Confident	87.8	Confident	66 Å²	66	51.4 Å²	51.4	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-47.1	174.7	169.8	-106.4	0	0	0	113.2	E134 S362 L366 E367 W368	E134-F364 HydrophobicContact CB-CE2 4.31Å; E134-F364 HydrophobicContact CG-CD2 4Å; E134-F364 HydrophobicContact CG-CE2 3.36Å; E134-F364 HydrophobicContact CG-CZ 4Å; E134-F364 VanDerWaalsContact OE1-CE2 3.24Å; E134-F364 WeakPolarHBondContact OE1-CE2 3.26Å; E134-F364 WeakPolarHBondContact OE1-CZ 3.36Å; E134-F364 WeakPolarHBondContact OE2-CE2 3.42Å; E134-F364 VanDerWaalsContact OE2-CZ 3.27Å; E134-F364 WeakPolarHBondContact OE2-CZ 3.5Å; S362-F364 PolarHBondContact O-N 3.33Å; S362-F364 VanDerWaalsContact O-N 3.11Å; F364-L366 VanDerWaalsContact C-N 3.31Å; F364-L366 PolarHBondContact O-N 3.4Å; F364-E367 PolarHBondContact O-N 2.92Å; F364-W368 HydrophobicContact CE2-CB 4.26Å; F364-W368 HydrophobicContact CZ-CB 4.19Å; F364-W368 HydrophobicContact CZ-CG 4.41Å; F364-W368 VanDerWaalsContact O-CB 3.25Å; F364-W368 WeakPolarHBondContact O-CB 3.48Å; F364-W368 PolarHBondContact O-N 3.02Å
365	Q	87.9	Confident	88.2	Confident	26 Å²	26	49.6 Å²	49.6	12%	0.121	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-38.8	178.9	-70.5	-73.6	-38.7	0	0	111.6	D350 L361 S362 L369	D350-Q365 WeakPolarHBondContact O-CG 3.42Å; L361-Q365 HydrophobicContact CB-CB 4.22Å; L361-Q365 HydrophobicContact CD2-CB 4.17Å; S362-Q365 WeakPolarHBondContact O-CB 3.28Å; S362-Q365 PolarHBondContact O-N 3.47Å; S362-Q365 WeakPolarHBondContact OG-CG 3.47Å; S362-Q365 PolarHBondContact OG-N 2.98Å; Q365-L369 VanDerWaalsContact O-CB 3.28Å; Q365-L369 WeakPolarHBondContact O-CB 3.38Å; Q365-L369 PolarHBondContact O-N 3.43Å
366	L	87.7	Confident	88.6	Confident	14 Å²	14	47 Å²	47	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-44	177.5	-67	170.9	0	0	0	112	L361 S362 E363 F364 L369 E370 E407 L408 V411	L361-L366 HydrophobicContact CB-CD2 4.14Å; L361-L366 HydrophobicContact CB-CG 4.07Å; L361-L366 HydrophobicContact CD1-CD2 3.82Å; S362-L366 PolarHBondContact O-N 3.08Å; S362-L366 VanDerWaalsContact O-N 3.11Å; E363-L366 PolarHBondContact O-N 3.34Å; F364-L366 VanDerWaalsContact C-N 3.31Å; F364-L366 PolarHBondContact O-N 3.4Å; L366-L369 WeakPolarHBondContact O-CB 3.41Å; L366-L369 PolarHBondContact O-N 2.81Å; L366-E370 PolarHBondContact O-N 2.78Å; L366-E407 HydrophobicContact CD1-CB 3.8Å; L366-E407 WeakPolarHBondContact CD1-OE2 3.39Å; L366-L408 HydrophobicContact CD2-CB 4.39Å; L366-L408 HydrophobicContact CD2-CD1 4.43Å; L366-V411 HydrophobicContact CB-CG2 4.38Å; L366-V411 HydrophobicContact CD2-CG2 4.25Å
367	E	84.9	Confident	89	Confident	75 Å²	75	47.8 Å²	47.8	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-64	-42.1	174.2	-75.5	-174.7	-176.3	0	0	112	R137 E363 F364 E370 R371	R137-E367 IonicContact CZ-OE2 3.84Å; R137-E367 VanDerWaalsContact CZ-OE2 3.24Å; R137-E367 IonicContact NH1-OE1 3.87Å; R137-E367 PolarHBondContact NH1-OE1 3.43Å; R137-E367 IonicContact NH1-OE2 3.35Å; R137-E367 PolarHBondContact NH1-OE2 3.01Å; R137-E367 IonicContact NH2-OE2 3.54Å; R137-E367 PolarHBondContact NH2-OE2 3.18Å; E363-E367 WeakPolarHBondContact O-CB 3.38Å; E363-E367 WeakPolarHBondContact O-CG 3.49Å; E363-E367 PolarHBondContact O-N 3.02Å; F364-E367 PolarHBondContact O-N 2.92Å; E367-E370 PolarHBondContact O-N 2.88Å; E367-R371 WeakPolarHBondContact O-CB 3.49Å; E367-R371 VanDerWaalsContact O-CG 3.26Å; E367-R371 WeakPolarHBondContact O-CG 3.39Å; E367-R371 PolarHBondContact O-N 3.11Å; E367-R371 PolarHBondContact O-NE 3.14Å
368	W	87	Confident	89.1	Confident	29 Å²	29	52.6 Å²	52.6	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-45.5	176.3	-179.3	95.7	0	0	0	110.9	K336 R337 L347 L349 F364 R371 K372	K336-W368 HydrophobicContact CB-CH2 4.04Å; K336-W368 HydrophobicContact CB-CZ2 4.03Å; K336-W368 WeakPolarHBondContact O-CH2 3.34Å; R337-W368 HydrophobicContact CB-CH2 4.33Å; R337-W368 HydrophobicContact CB-CZ2 4.32Å; L347-W368 HydrophobicContact CB-CH2 4.45Å; L347-W368 HydrophobicContact CB-CZ3 4.26Å; L347-W368 HydrophobicContact CD2-CH2 3.82Å; L347-W368 HydrophobicContact CD2-CZ3 4.19Å; L349-W368 HydrophobicContact CD2-CE3 4.03Å; L349-W368 HydrophobicContact CD2-CZ3 3.98Å; F364-W368 HydrophobicContact CE2-CB 4.26Å; F364-W368 HydrophobicContact CZ-CB 4.19Å; F364-W368 HydrophobicContact CZ-CG 4.41Å; F364-W368 VanDerWaalsContact O-CB 3.25Å; F364-W368 WeakPolarHBondContact O-CB 3.48Å; F364-W368 PolarHBondContact O-N 3.02Å; W368-R371 PolarHBondContact O-N 2.99Å; W368-K372 HydrophobicContact CD2-CG 3.86Å; W368-K372 HydrophobicContact CE3-CG 4.2Å; W368-K372 HydrophobicContact CG-CG 4.46Å; W368-K372 HydrophobicContact CH2-CG 4Å; W368-K372 HydrophobicContact CZ2-CD 4.42Å; W368-K372 HydrophobicContact CZ2-CG 3.65Å; W368-K372 HydrophobicContact CZ3-CG 4.27Å; W368-K372 VanDerWaalsContact NE1-CE 3.33Å; W368-K372 WeakPolarHBondContact O-CG 3.41Å; W368-K372 PolarHBondContact O-N 3.37Å
369	L	94	Very high	89.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.6	-53.1	175.5	175.4	63.1	0	0	0	111.3	L347 L349 Q365 L366 R371 K372 L373 L383 L408 V411 L412	L347-L369 HydrophobicContact CD1-CD1 3.78Å; L349-L369 HydrophobicContact CD1-CD2 4.04Å; L349-L369 HydrophobicContact CD2-CB 4.12Å; L349-L369 HydrophobicContact CD2-CD1 4.29Å; Q365-L369 VanDerWaalsContact O-CB 3.28Å; Q365-L369 WeakPolarHBondContact O-CB 3.38Å; Q365-L369 PolarHBondContact O-N 3.43Å; L366-L369 WeakPolarHBondContact O-CB 3.41Å; L366-L369 PolarHBondContact O-N 2.81Å; L369-R371 VanDerWaalsContact C-N 3.28Å; L369-R371 PolarHBondContact O-N 2.98Å; L369-K372 PolarHBondContact O-N 3.19Å; L369-L373 HydrophobicContact CD1-CD1 3.65Å; L369-L373 HydrophobicContact CD1-CG 3.99Å; L369-L373 HydrophobicContact CG-CD1 3.83Å; L369-L373 HydrophobicContact CG-CG 4.48Å; L369-L373 WeakPolarHBondContact O-CB 3.48Å; L369-L373 VanDerWaalsContact O-CG 3.26Å; L369-L373 WeakPolarHBondContact O-CG 3.36Å; L369-L373 PolarHBondContact O-N 2.87Å; L369-L383 HydrophobicContact CD1-CD1 3.77Å; L369-L408 HydrophobicContact CD2-CD1 3.47Å; L369-L408 VanDerWaalsContact CD2-CD1 3.47Å; L369-V411 HydrophobicContact CD2-CG1 3.98Å; L369-V411 HydrophobicContact CG-CG1 4.17Å; L369-L412 HydrophobicContact CD1-CD2 4.46Å; L369-L412 HydrophobicContact CD2-CD2 3.86Å; L369-L412 HydrophobicContact CD2-CG 4.38Å; L369-L412 HydrophobicContact CG-CD2 4.45Å
370	E	94.1	Very high	89.4	Confident	67 Å²	67	55.1 Å²	55.1	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-57.2	-43.3	-179.9	-178.8	156.6	-169.7	0	0	111.4	L366 E367 L373 A374 V411 K414 F415	L366-E370 PolarHBondContact O-N 2.78Å; E367-E370 PolarHBondContact O-N 2.88Å; E370-L373 PolarHBondContact O-N 3.4Å; E370-A374 VanDerWaalsContact O-CB 3.31Å; E370-A374 WeakPolarHBondContact O-CB 3.15Å; E370-A374 PolarHBondContact O-N 3.05Å; E370-V411 HydrophobicContact CB-CG1 3.89Å; E370-K414 WeakPolarHBondContact OE1-CD 3.39Å; E370-K414 IonicContact OE1-NZ 3.92Å; E370-K414 PolarHBondContact OE1-NZ 3.26Å; E370-K414 IonicContact OE2-NZ 3.64Å; E370-K414 PolarHBondContact OE2-NZ 3.39Å; E370-F415 HydrophobicContact CB-CE2 4.45Å; E370-F415 HydrophobicContact CG-CE2 3.97Å; E370-F415 HydrophobicContact CG-CZ 4Å
371	R	89.4	Confident	89.7	Confident	80 Å²	80	51.2 Å²	51.2	30%	0.302	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-45	178.1	-70.9	-178.8	-57.2	135.3	0.7	112.9	D131 E134 E367 W368 L369 L373 A374 D375	D131-R371 IonicContact OD1-CZ 3.93Å; D131-R371 IonicContact OD1-NH1 3.91Å; D131-R371 PolarHBondContact OD1-NH1 2.9Å; D131-R371 VanDerWaalsContact OD1-NH1 3.1Å; D131-R371 IonicContact OD1-NH2 3.28Å; D131-R371 IonicContact OD2-CZ 3.4Å; D131-R371 IonicContact OD2-NH1 3.74Å; D131-R371 PolarHBondContact OD2-NH1 2.95Å; D131-R371 IonicContact OD2-NH2 3.13Å; D131-R371 PolarHBondContact OD2-NH2 3.15Å; E134-R371 IonicContact OE2-NH2 3.65Å; E367-R371 WeakPolarHBondContact O-CB 3.49Å; E367-R371 VanDerWaalsContact O-CG 3.26Å; E367-R371 WeakPolarHBondContact O-CG 3.39Å; E367-R371 PolarHBondContact O-N 3.11Å; E367-R371 PolarHBondContact O-NE 3.14Å; W368-R371 PolarHBondContact O-N 2.99Å; L369-R371 VanDerWaalsContact C-N 3.28Å; L369-R371 PolarHBondContact O-N 2.98Å; R371-L373 VanDerWaalsContact C-N 3.31Å; R371-L373 PolarHBondContact O-N 3.32Å; R371-A374 PolarHBondContact O-N 2.89Å; R371-D375 WeakPolarHBondContact O-CB 3.5Å; R371-D375 PolarHBondContact O-N 2.86Å
372	K	87.6	Confident	90.1	Very high	41 Å²	41	51.2 Å²	51.2	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-31.4	179.8	-63.7	-45.9	176.8	-168.9	0	112.7	R337 L347 W368 L369 A376	R337-K372 PolarHBondContact NH2-O 3.49Å; L347-K372 HydrophobicContact CD1-CB 4.21Å; L347-K372 HydrophobicContact CD2-CB 4.04Å; W368-K372 HydrophobicContact CD2-CG 3.86Å; W368-K372 HydrophobicContact CE3-CG 4.2Å; W368-K372 HydrophobicContact CG-CG 4.46Å; W368-K372 HydrophobicContact CH2-CG 4Å; W368-K372 HydrophobicContact CZ2-CD 4.42Å; W368-K372 HydrophobicContact CZ2-CG 3.65Å; W368-K372 HydrophobicContact CZ3-CG 4.27Å; W368-K372 VanDerWaalsContact NE1-CE 3.33Å; W368-K372 WeakPolarHBondContact O-CG 3.41Å; W368-K372 PolarHBondContact O-N 3.37Å; L369-K372 PolarHBondContact O-N 3.19Å; K372-A376 PolarHBondContact O-N 3.13Å
373	L	95.7	Very high	90.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-70.8	-41.9	172.5	-67.9	174.2	0	0	0	111.7	L347 L369 E370 R371 D375 A376 P377 T381 L412 F415 V418	L347-L373 HydrophobicContact CD1-CD2 3.71Å; L347-L373 HydrophobicContact CD1-CG 4.01Å; L369-L373 HydrophobicContact CD1-CD1 3.65Å; L369-L373 HydrophobicContact CD1-CG 3.99Å; L369-L373 HydrophobicContact CG-CD1 3.83Å; L369-L373 HydrophobicContact CG-CG 4.48Å; L369-L373 WeakPolarHBondContact O-CB 3.48Å; L369-L373 VanDerWaalsContact O-CG 3.26Å; L369-L373 WeakPolarHBondContact O-CG 3.36Å; L369-L373 PolarHBondContact O-N 2.87Å; E370-L373 PolarHBondContact O-N 3.4Å; R371-L373 VanDerWaalsContact C-N 3.31Å; R371-L373 PolarHBondContact O-N 3.32Å; L373-D375 VanDerWaalsContact C-N 3.29Å; L373-D375 PolarHBondContact O-N 3.3Å; L373-A376 CarbonylContact O-C 3.49Å; L373-A376 VanDerWaalsContact O-C 3.29Å; L373-A376 PolarHBondContact O-N 3.49Å; L373-P377 WeakPolarHBondContact O-CA 3.39Å; L373-T381 HydrophobicContact CD2-CG2 3.95Å; L373-L412 HydrophobicContact CD1-CD2 3.97Å; L373-F415 HydrophobicContact CB-CB 4.39Å; L373-F415 HydrophobicContact CB-CD1 3.58Å; L373-F415 HydrophobicContact CB-CD2 3.86Å; L373-F415 HydrophobicContact CB-CE1 3.67Å; L373-F415 HydrophobicContact CB-CE2 3.94Å; L373-F415 HydrophobicContact CB-CG 3.67Å; L373-F415 HydrophobicContact CB-CZ 3.85Å; L373-F415 HydrophobicContact CD1-CB 3.98Å; L373-F415 HydrophobicContact CD1-CD2 3.47Å; L373-F415 VanDerWaalsContact CD1-CD2 3.47Å; L373-F415 HydrophobicContact CD1-CE2 4.04Å; L373-F415 HydrophobicContact CD1-CG 3.74Å; L373-F415 HydrophobicContact CG-CD2 4.31Å; L373-F415 HydrophobicContact CG-CG 4.27Å; L373-V418 HydrophobicContact CD1-CG2 3.8Å; L373-V418 HydrophobicContact CD2-CG2 3.4Å; L373-V418 HydrophobicContact CG-CG2 4.26Å
374	A	93	Very high	91.8	Very high	59 Å²	59	41.1 Å²	41.1	49%	0.488	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-29.9	176	0	0	0	0	0	113.4	E370 R371 P377 F415	E370-A374 VanDerWaalsContact O-CB 3.31Å; E370-A374 WeakPolarHBondContact O-CB 3.15Å; E370-A374 PolarHBondContact O-N 3.05Å; R371-A374 PolarHBondContact O-N 2.89Å; A374-P377 WeakPolarHBondContact O-CD 3.21Å; A374-F415 HydrophobicContact CB-CE1 4.2Å; A374-F415 HydrophobicContact CB-CZ 4.28Å
375	D	89	Confident	92.8	Very high	105 Å²	105	38 Å²	38	56%	0.561	19%	0.193	S	C	*	.	H	α-helix	trans	-69.5	-29.7	176	174.6	69.6	0	0	0	113.2	R337 R371 L373	R337-D375 IonicContact CZ-OD2 3.05Å; R337-D375 IonicContact NH1-OD2 2.92Å; R337-D375 PolarHBondContact NH1-OD2 3.26Å; R337-D375 IonicContact NH2-OD2 3.02Å; R337-D375 PolarHBondContact NH2-OD2 2.86Å; R371-D375 WeakPolarHBondContact O-CB 3.5Å; R371-D375 PolarHBondContact O-N 2.86Å; L373-D375 VanDerWaalsContact C-N 3.29Å; L373-D375 PolarHBondContact O-N 3.3Å
376	A	88.7	Confident	93.3	Very high	13 Å²	13	36.8 Å²	36.8	11%	0.107	19%	0.187	C	C	.	.	S	Bend	trans	-138.2	67.2	177.2	0	0	0	0	0	112	R337 F339 Q345 K372 L373 E378 R379	R337-A376 VanDerWaalsContact NH2-CB 3.33Å; F339-A376 HydrophobicContact CE1-CB 4.49Å; Q345-A376 PolarHBondContact NE2-O 3.28Å; K372-A376 PolarHBondContact O-N 3.13Å; L373-A376 CarbonylContact O-C 3.49Å; L373-A376 VanDerWaalsContact O-C 3.29Å; L373-A376 PolarHBondContact O-N 3.49Å; A376-E378 VanDerWaalsContact C-N 3.29Å; A376-E378 PolarHBondContact O-N 3.35Å; A376-R379 HydrophobicContact CB-CB 4.39Å; A376-R379 HydrophobicContact CB-CG 4.11Å; A376-R379 PolarHBondContact O-N 2.99Å
377	P	92.7	Very high	93.7	Very high	66 Å²	66	36.1 Å²	36.1	43%	0.429	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.9	-168.2	27.7	-34.2	0	0	0	113.4	L373 A374 H417	L373-P377 WeakPolarHBondContact O-CA 3.39Å; A374-P377 WeakPolarHBondContact O-CD 3.21Å; P377-H417 PolarHBondContact O-CD2 2.73Å
378	E	92.7	Very high	94.2	Very high	149 Å²	149	32.6 Å²	32.6	70%	0.696	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-14	-179.4	-57.7	-58.7	149.2	0	0	113.2	A376	A376-E378 VanDerWaalsContact C-N 3.29Å; A376-E378 PolarHBondContact O-N 3.35Å
379	R	95.1	Very high	94.5	Very high	36 Å²	36	31.6 Å²	31.6	14%	0.136	16%	0.164	C	C	.	.	S	Bend	trans	-79.7	134	-177.6	-70.7	-175	-179.2	-104.4	-6.1	111.5	G341 E342 Q343 W344 Q345 A376 T381 H417	G341-R379 PolarHBondContact O-NH1 3.36Å; E342-R379 PolarHBondContact O-NH1 2.7Å; E342-R379 IonicContact OE2-CZ 2.86Å; E342-R379 IonicContact OE2-NH2 2.63Å; E342-R379 PolarHBondContact OE2-NH2 2.94Å; Q343-R379 CarbonylContact O-C 3.57Å; Q343-R379 WeakPolarHBondContact O-CA 3.44Å; W344-R379 PolarHBondContact O-NH1 3.35Å; Q345-R379 HydrophobicContact CG-CB 4.17Å; A376-R379 HydrophobicContact CB-CB 4.39Å; A376-R379 HydrophobicContact CB-CG 4.11Å; A376-R379 PolarHBondContact O-N 2.99Å; R379-T381 PolarHBondContact O-N 3.01Å; R379-T381 PolarHBondContact O-OG1 2.92Å; R379-H417 WeakPolarHBondContact O-CB 3.47Å
380	H	97.1	Very high	94.3	Very high	30 Å²	30	34.2 Å²	34.2	14%	0.139	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	131.6	166.2	-58.7	-58.9	0	0	0	109.6	Q343 W344 Q345 H417 G474	Q343-H380 PolarHBondContact O-N 3.1Å; W344-H380 CarbonylContact C-O 3.54Å; W344-H380 WeakPolarHBondContact CA-O 3.33Å; W344-H380 HydrophobicContact CD2-CB 3.51Å; W344-H380 HydrophobicContact CE3-CB 3.48Å; W344-H380 VanDerWaalsContact CE3-CB 3.48Å; W344-H380 VanDerWaalsContact CE3-O 3.23Å; W344-H380 HydrophobicContact CG-CB 4.22Å; W344-H380 HydrophobicContact CH2-CB 3.85Å; W344-H380 HydrophobicContact CZ2-CB 3.87Å; W344-H380 HydrophobicContact CZ3-CB 3.64Å; Q345-H380 PolarHBondContact N-O 3.47Å; H380-H417 AromaticContact CE1-ND1 3.97Å; H380-H417 AromaticContact ND1-ND1 3.85Å; H380-G474 WeakPolarHBondContact CD2-CA 3.41Å; H380-G474 WeakPolarHBondContact NE2-CA 3.35Å; H380-G474 PolarHBondContact NE2-N 3Å
381	T	97.9	Very high	93.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.4	-173.7	-57.2	0	0	0	0	111	Q345 L347 L373 R379 H417 V418	Q345-T381 HydrophobicContact CG-CG2 4.02Å; Q345-T381 VanDerWaalsContact CG-OG1 3.25Å; Q345-T381 WeakPolarHBondContact CG-OG1 3.43Å; Q345-T381 PolarHBondContact NE2-OG1 3.28Å; Q345-T381 VanDerWaalsContact NE2-OG1 3.1Å; Q345-T381 WeakPolarHBondContact O-CA 3.23Å; L347-T381 HydrophobicContact CB-CG2 4.5Å; L347-T381 HydrophobicContact CD1-CG2 3.94Å; L347-T381 HydrophobicContact CG-CG2 4Å; L373-T381 HydrophobicContact CD2-CG2 3.95Å; R379-T381 PolarHBondContact O-N 3.01Å; R379-T381 PolarHBondContact O-OG1 2.92Å; T381-H417 PolarHBondContact N-O 3.11Å; T381-V418 HydrophobicContact CG2-CG1 4.32Å; T381-V418 HydrophobicContact CG2-CG2 4.25Å
382	L	98.5	Very high	93.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.1	165	174.8	63.8	0	0	0	108.3	I239 W344 Q345 I346 L347 L384 Y420 L422 L468 L470 L476	I239-L382 HydrophobicContact CD1-CD2 4.08Å; W344-L382 HydrophobicContact CZ3-CB 4.27Å; Q345-L382 PolarHBondContact O-N 3.11Å; I346-L382 WeakPolarHBondContact CA-O 3.07Å; I346-L382 HydrophobicContact CG1-CB 4.39Å; L347-L382 PolarHBondContact N-O 3.33Å; L382-L384 HydrophobicContact CD1-CD1 4.31Å; L382-L384 HydrophobicContact CD2-CD1 3.92Å; L382-L384 HydrophobicContact CG-CD1 3.56Å; L382-Y420 VanDerWaalsContact CD1-CB 3.48Å; L382-L422 HydrophobicContact CD1-CB 4.22Å; L382-L468 HydrophobicContact CD2-CD2 4.39Å; L382-L470 HydrophobicContact CD2-CD2 4.38Å; L382-L476 HydrophobicContact CD1-CD1 4.01Å; L382-L476 HydrophobicContact CD2-CD1 4.48Å
383	L	98.6	Very high	92.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.1	-179.2	-170.6	67.9	0	0	0	110.5	L347 L349 L369 L408 L412 V418 Y420 L421 L422	L347-L383 HydrophobicContact CB-CD1 3.77Å; L349-L383 HydrophobicContact CD1-CD1 3.74Å; L349-L383 HydrophobicContact CD1-CD2 3.9Å; L349-L383 HydrophobicContact CD1-CG 4.07Å; L349-L383 HydrophobicContact CD2-CD1 4.38Å; L349-L383 HydrophobicContact CG-CD1 3.73Å; L349-L383 HydrophobicContact CG-CG 4.4Å; L369-L383 HydrophobicContact CD1-CD1 3.77Å; L383-L408 HydrophobicContact CD2-CD1 4.18Å; L383-L412 HydrophobicContact CD2-CD1 4Å; L383-L412 HydrophobicContact CD2-CD2 4.22Å; L383-V418 HydrophobicContact CB-CG1 4.21Å; L383-Y420 PolarHBondContact N-O 3.28Å; L383-L421 HydrophobicContact CB-CG 4.27Å; L383-L421 HydrophobicContact CD2-CD2 4.38Å; L383-L421 HydrophobicContact CD2-CG 4.25Å; L383-L421 CarbonylContact O-C 3.58Å; L383-L421 VanDerWaalsContact O-CA 3.27Å; L383-L421 WeakPolarHBondContact O-CA 3.25Å; L383-L422 PolarHBondContact O-N 2.96Å
384	L	98.7	Very high	91.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.4	-179.9	-81.3	57.1	0	0	0	109.1	V282 T284 L313 I346 L347 L348 L349 L382 L422	V282-L384 HydrophobicContact CB-CD2 3.72Å; V282-L384 HydrophobicContact CG1-CD2 3.8Å; V282-L384 HydrophobicContact CG2-CD2 4.09Å; T284-L384 HydrophobicContact CG2-CD2 4.22Å; T284-L384 HydrophobicContact CG2-CG 4.28Å; L313-L384 HydrophobicContact CD2-CB 3.71Å; I346-L384 HydrophobicContact CG2-CD1 3.51Å; I346-L384 HydrophobicContact CG2-CD2 3.91Å; I346-L384 HydrophobicContact CG2-CG 4.29Å; L347-L384 PolarHBondContact O-N 2.75Å; L348-L384 HydrophobicContact CD1-CD2 4.31Å; L348-L384 HydrophobicContact CD2-CD2 4.35Å; L348-L384 HydrophobicContact CG-CB 4.05Å; L348-L384 HydrophobicContact CG-CD2 3.92Å; L349-L384 PolarHBondContact N-O 3.35Å; L382-L384 HydrophobicContact CD1-CD1 4.31Å; L382-L384 HydrophobicContact CD2-CD1 3.92Å; L382-L384 HydrophobicContact CG-CD1 3.56Å; L384-L422 WeakPolarHBondContact CA-O 3.26Å; L384-L422 HydrophobicContact CD1-CB 4.16Å; L384-L422 HydrophobicContact CD1-CD2 4.44Å; L384-L422 HydrophobicContact CG-CB 4.22Å; L384-L422 HydrophobicContact CG-CD2 4.32Å
385	L	98.2	Very high	91.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	147.9	174.5	65.3	171.4	0	0	0	109.1	L349 H387 L402 L408 L421 L422 C423	L349-L385 HydrophobicContact CB-CB 4.34Å; L385-H387 VanDerWaalsContact CD1-O 3.22Å; L385-H387 WeakPolarHBondContact CD1-O 3.38Å; L385-H387 WeakPolarHBondContact CG-O 3.44Å; L385-L402 HydrophobicContact CD1-CD2 4.03Å; L385-L408 HydrophobicContact CD1-CD2 4.2Å; L385-L421 HydrophobicContact CD2-CB 4.42Å; L385-L421 HydrophobicContact CD2-CD2 4.22Å; L385-L422 PolarHBondContact N-O 3.3Å; L385-L422 VanDerWaalsContact N-O 3.17Å; L385-C423 WeakPolarHBondContact CD2-SG 3.24Å; L385-C423 VanDerWaalsContact O-CA 3.25Å; L385-C423 WeakPolarHBondContact O-CA 3.25Å
386	H	98	Very high	90.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-67.4	-55.2	179.5	-177	67.6	0	0	0	111.5	D244 T284 D286 L313 P314 G315 N316 G424 H425	D244-H386 IonicContact OD1-CE1 2.75Å; T284-H386 PolarHBondContact O-ND1 2.99Å; D286-H386 VanDerWaalsContact CG-NE2 3.29Å; D286-H386 IonicContact OD1-CE1 3.08Å; D286-H386 IonicContact OD1-NE2 3.89Å; D286-H386 PolarHBondContact OD1-NE2 2.84Å; D286-H386 IonicContact OD2-CE1 3.78Å; D286-H386 PolarHBondContact OD2-CE1 3.49Å; D286-H386 IonicContact OD2-NE2 2.66Å; D286-H386 PolarHBondContact OD2-NE2 3.27Å; L313-H386 HydrophobicContact CD1-CB 3.62Å; P314-H386 WeakPolarHBondContact O-CB 3.38Å; G315-H386 WeakPolarHBondContact CA-CD2 3.31Å; G315-H386 WeakPolarHBondContact CA-NE2 3.33Å; N316-H386 PolarHBondContact OD1-NE2 2.65Å; H386-G424 CarbonylContact O-C 3.59Å; H386-G424 PolarHBondContact O-N 3.42Å; H386-H425 AromaticContact CD2-CG 3.86Å; H386-H425 AromaticContact CD2-ND1 3.58Å; H386-H425 VanDerWaalsContact CE1-CA 3.49Å; H386-H425 WeakPolarHBondContact CE1-CA 3.43Å; H386-H425 AromaticContact CE1-ND1 3.94Å; H386-H425 WeakPolarHBondContact NE2-CB 3.34Å; H386-H425 AromaticContact NE2-CG 3.5Å; H386-H425 AromaticContact NE2-ND1 3.01Å; H386-H425 PolarHBondContact NE2-ND1 2.93Å; H386-H425 WeakPolarHBondContact O-CB 3.37Å
387	H	97.1	Very high	90.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-83.5	125.5	-173.8	-55.5	93.1	0	0	0	112.7	S351 P357 G359 L385 H400 L402 H425	S351-H387 PolarHBondContact O-ND1 3.5Å; S351-H387 PolarHBondContact OG-N 2.93Å; S351-H387 PolarHBondContact OG-ND1 2.64Å; P357-H387 PolarHBondContact O-NE2 3.1Å; G359-H387 VanDerWaalsContact CA-ND1 3.27Å; G359-H387 WeakPolarHBondContact CA-ND1 3.34Å; G359-H387 PolarHBondContact N-CD2 2.76Å; G359-H387 VanDerWaalsContact N-CD2 3.28Å; G359-H387 PolarHBondContact N-NE2 3.31Å; L385-H387 VanDerWaalsContact CD1-O 3.22Å; L385-H387 WeakPolarHBondContact CD1-O 3.38Å; L385-H387 WeakPolarHBondContact CG-O 3.44Å; H387-H400 PolarHBondContact CD2-O 3.03Å; H387-L402 HydrophobicContact CB-CB 4.25Å; H387-H425 AromaticContact CD2-CD2 3.97Å; H387-H425 AromaticContact CD2-CE1 3.74Å; H387-H425 AromaticContact CD2-CG 3.99Å; H387-H425 AromaticContact CD2-ND1 3.86Å; H387-H425 AromaticContact CD2-NE2 3.82Å
388	H	94.1	Very high	89.9	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.145	C	C	.	.			trans	-63.4	137.4	176.7	65.2	-43.1	0	0	0	113.5	L390 A392 L402 C423 I426	H388-L390 PolarHBondContact CD2-O 3.03Å; H388-A392 PolarHBondContact NE2-N 3.4Å; H388-L402 PolarHBondContact O-N 2.78Å; H388-C423 HydrophobicContact CB-CB 4.39Å; H388-I426 WeakPolarHBondContact CE1-CG2 3.36Å; H388-I426 WeakPolarHBondContact ND1-CG2 3.48Å
389	P	94.3	Very high	89.5	Confident	8 Å²	8	25 Å²	25	5%	0.052	14%	0.143	C	C	.	.	S	Bend	trans	-83.6	-17.7	-179.2	33.2	-36.3	0	0	0	114.6	L402 A405 L421 W434 L439	P389-L402 HydrophobicContact CB-CD2 4.27Å; P389-A405 HydrophobicContact CB-CB 3.8Å; P389-A405 WeakPolarHBondContact O-CB 3.18Å; P389-L421 HydrophobicContact CG-CD2 4.03Å; P389-W434 HydrophobicContact CB-CD2 4.28Å; P389-W434 HydrophobicContact CB-CH2 4.04Å; P389-W434 HydrophobicContact CB-CZ2 3.69Å; P389-W434 HydrophobicContact CB-CZ3 4.46Å; P389-W434 HydrophobicContact CG-CD2 3.93Å; P389-W434 HydrophobicContact CG-CE3 4.08Å; P389-W434 HydrophobicContact CG-CG 4.45Å; P389-W434 HydrophobicContact CG-CH2 4.36Å; P389-W434 HydrophobicContact CG-CZ2 4.22Å; P389-W434 HydrophobicContact CG-CZ3 4.29Å; P389-L439 HydrophobicContact CG-CD1 3.98Å; P389-L439 HydrophobicContact CG-CD2 3.96Å
390	L	89.5	Confident	89.3	Confident	56 Å²	56	25.1 Å²	25.1	29%	0.293	14%	0.144	S	C	.	.	S	Bend	trans	-111	132.8	178.9	-176.4	71.7	0	0	0	108.7	H388 A392 L432 L439	H388-L390 PolarHBondContact CD2-O 3.03Å; L390-A392 PolarHBondContact O-N 2.99Å; L390-L432 HydrophobicContact CD2-CB 4.48Å; L390-L432 HydrophobicContact CD2-CD1 3.84Å; L390-L439 HydrophobicContact CB-CD2 3.71Å
391	P	81.2	Confident	89.1	Confident	70 Å²	70	24.6 Å²	24.6	46%	0.455	15%	0.145	S	C	.	.			trans	-51.3	131.9	174.2	-28	36.3	0	0	0	112.3	G393 D398	P391-G393 PolarHBondContact O-N 3.48Å; P391-D398 WeakPolarHBondContact CA-OD1 3.37Å; P391-D398 HydrophobicContact CB-CB 4.14Å; P391-D398 WeakPolarHBondContact CB-OD1 3.22Å
392	A	77.5	Confident	89	Confident	7 Å²	7	24.7 Å²	24.7	6%	0.058	15%	0.145	C	C	.	.			trans	-70.6	-11.1	176.5	0	0	0	0	0	112.9	H388 L390 D398 I426 L430	H388-A392 PolarHBondContact NE2-N 3.4Å; L390-A392 PolarHBondContact O-N 2.99Å; A392-D398 PolarHBondContact N-OD1 3.3Å; A392-I426 HydrophobicContact CB-CD1 4.17Å; A392-L430 HydrophobicContact CB-CD1 4.45Å
393	G	76.2	Confident	88.8	Confident	38 Å²	38	32 Å²	32	39%	0.392	17%	0.172	S	C	.	.	S	Bend	trans	85.9	18.8	-178.6	0	0	0	0	0	113.1	P391 D398	P391-G393 PolarHBondContact O-N 3.48Å; G393-D398 PolarHBondContact N-OD1 3.07Å; G393-D398 PolarHBondContact N-OD2 2.9Å
394	C	78.3	Confident	88.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.			trans	-115.5	108.3	171.8	-72.9	0	0	0	0	107.6	W396 L397 D398 K450 H452 C453	C394-W396 PolarHBondContact O-N 2.89Å; C394-L397 HydrophobicContact CB-CB 4Å; C394-L397 HydrophobicContact CB-CD1 3.99Å; C394-L397 HydrophobicContact CB-CG 4.35Å; C394-L397 PolarHBondContact O-N 3Å; C394-D398 PolarHBondContact N-OD1 3.45Å; C394-D398 PolarHBondContact N-OD2 3.41Å; C394-D398 WeakPolarHBondContact O-CB 3.36Å; C394-D398 PolarHBondContact O-N 2.83Å; C394-K450 PolarHBondContact SG-O 3.09Å; C394-K450 VanDerWaalsContact SG-O 3.39Å; C394-H452 PolarHBondContact SG-N 3.07Å; C394-C453 VanDerWaalsContact CA-O 3.24Å; C394-C453 WeakPolarHBondContact CA-O 3.5Å; C394-C453 WeakPolarHBondContact CB-O 3.31Å; C394-C453 PolarHBondContact SG-N 2.93Å
395	S	78.9	Confident	88.5	Confident	67 Å²	67	33.2 Å²	33.2	47%	0.469	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-22.4	-170.6	-54	0	0	0	0	115.1	Q399	S395-Q399 WeakPolarHBondContact O-CG 3.16Å; S395-Q399 PolarHBondContact O-NE2 3.04Å
396	W	78.2	Confident	88.5	Confident	30 Å²	30	35.5 Å²	35.5	11%	0.114	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-43.9	173.8	73.5	-85.8	0	0	0	112.7	C394 Q399 F449 N455 F456	C394-W396 PolarHBondContact O-N 2.89Å; W396-Q399 PolarHBondContact O-N 3.27Å; W396-F449 HydrophobicContact CH2-CB 4.42Å; W396-F449 AromaticContact CH2-CD1 3.78Å; W396-F449 HydrophobicContact CH2-CD1 3.78Å; W396-F449 AromaticContact CH2-CD2 3.6Å; W396-F449 HydrophobicContact CH2-CD2 3.6Å; W396-F449 AromaticContact CH2-CE1 3.9Å; W396-F449 HydrophobicContact CH2-CE1 3.9Å; W396-F449 AromaticContact CH2-CE2 3.72Å; W396-F449 HydrophobicContact CH2-CE2 3.72Å; W396-F449 AromaticContact CH2-CG 3.66Å; W396-F449 HydrophobicContact CH2-CG 3.66Å; W396-F449 AromaticContact CH2-CZ 3.87Å; W396-F449 HydrophobicContact CH2-CZ 3.87Å; W396-F449 HydrophobicContact CZ2-CB 4.05Å; W396-F449 HydrophobicContact CZ2-CD1 4.01Å; W396-F449 HydrophobicContact CZ2-CD2 4.07Å; W396-F449 AromaticContact CZ2-CG 3.77Å; W396-F449 HydrophobicContact CZ2-CG 3.77Å; W396-N455 PolarHBondContact NE1-O 3.2Å; W396-F456 HydrophobicContact CD2-CB 4.33Å; W396-F456 HydrophobicContact CD2-CD2 4.25Å; W396-F456 HydrophobicContact CE3-CD2 4.03Å; W396-F456 AromaticContact CH2-CD2 3.36Å; W396-F456 HydrophobicContact CH2-CD2 3.36Å; W396-F456 AromaticContact CH2-CE2 3.64Å; W396-F456 HydrophobicContact CH2-CE2 3.64Å; W396-F456 AromaticContact CZ2-CD2 3.59Å; W396-F456 HydrophobicContact CZ2-CD2 3.59Å; W396-F456 HydrophobicContact CZ2-CE2 4.1Å; W396-F456 AromaticContact CZ3-CD2 3.61Å; W396-F456 HydrophobicContact CZ3-CD2 3.61Å; W396-F456 HydrophobicContact CZ3-CE2 4.12Å
397	L	81.4	Confident	88.5	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-70.6	-33.3	174.9	-78.4	164.9	0	0	0	112.5	C394 Q399 H400 F449	C394-L397 HydrophobicContact CB-CB 4Å; C394-L397 HydrophobicContact CB-CD1 3.99Å; C394-L397 HydrophobicContact CB-CG 4.35Å; C394-L397 PolarHBondContact O-N 3Å; L397-Q399 PolarHBondContact O-N 3.15Å; L397-Q399 VanDerWaalsContact O-N 3.13Å; L397-H400 WeakPolarHBondContact O-CA 3.19Å; L397-H400 WeakPolarHBondContact O-CB 3.43Å; L397-H400 PolarHBondContact O-N 3.19Å; L397-F449 HydrophobicContact CD1-CB 4.04Å; L397-F449 HydrophobicContact CD1-CD2 3.95Å; L397-F449 HydrophobicContact CD1-CG 4.33Å; L397-F449 HydrophobicContact CD2-CD2 3.78Å; L397-F449 HydrophobicContact CD2-CE2 4.01Å; L397-F449 HydrophobicContact CG-CD2 4.4Å
398	D	85.7	Confident	88.5	Confident	40 Å²	40	40.3 Å²	40.3	21%	0.214	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-63.8	-18.8	179.8	-62.7	-19.5	0	0	0	111.5	P391 A392 G393 C394 H400 S401	P391-D398 WeakPolarHBondContact CA-OD1 3.37Å; P391-D398 HydrophobicContact CB-CB 4.14Å; P391-D398 WeakPolarHBondContact CB-OD1 3.22Å; A392-D398 PolarHBondContact N-OD1 3.3Å; G393-D398 PolarHBondContact N-OD1 3.07Å; G393-D398 PolarHBondContact N-OD2 2.9Å; C394-D398 PolarHBondContact N-OD1 3.45Å; C394-D398 PolarHBondContact N-OD2 3.41Å; C394-D398 WeakPolarHBondContact O-CB 3.36Å; C394-D398 PolarHBondContact O-N 2.83Å; D398-H400 PolarHBondContact O-N 3.43Å; D398-S401 PolarHBondContact O-OG 2.9Å
399	Q	85.2	Confident	88.7	Confident	136 Å²	136	42.2 Å²	42.2	64%	0.636	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-73.7	-17	171.9	-66.6	171.8	48.3	0	0	112.8	S395 W396 L397	S395-Q399 WeakPolarHBondContact O-CG 3.16Å; S395-Q399 PolarHBondContact O-NE2 3.04Å; W396-Q399 PolarHBondContact O-N 3.27Å; L397-Q399 PolarHBondContact O-N 3.15Å; L397-Q399 VanDerWaalsContact O-N 3.13Å
400	H	90	Very high	88.9	Confident	38 Å²	38	46.2 Å²	46.2	18%	0.176	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-105.2	6.4	-177.3	-53.9	173.3	0	0	0	112.2	P357 H358 H387 L397 D398 H425	P357-H400 HydrophobicContact CB-CB 4.34Å; P357-H400 WeakPolarHBondContact CG-CD2 3.41Å; P357-H400 WeakPolarHBondContact CG-NE2 3.44Å; H358-H400 WeakPolarHBondContact CA-O 3.43Å; H387-H400 PolarHBondContact CD2-O 3.03Å; L397-H400 WeakPolarHBondContact O-CA 3.19Å; L397-H400 WeakPolarHBondContact O-CB 3.43Å; L397-H400 PolarHBondContact O-N 3.19Å; D398-H400 PolarHBondContact O-N 3.43Å; H400-H425 VanDerWaalsContact CB-NE2 3.28Å; H400-H425 WeakPolarHBondContact CB-NE2 3.37Å; H400-H425 PolarHBondContact O-NE2 3.02Å
401	S	93.2	Very high	89.2	Confident	20 Å²	20	44.1 Å²	44.1	14%	0.14	25%	0.251	C	S	.	.	S	Bend	trans	-65.5	170.9	176.7	71.9	0	0	0	0	112.7	G359 D398 R403	G359-S401 PolarHBondContact N-O 2.81Å; D398-S401 PolarHBondContact O-OG 2.9Å; S401-R403 PolarHBondContact O-N 2.99Å
402	L	96.2	Very high	90	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-65.5	116.3	170.9	-178.2	72	0	0	0	110.2	G359 L361 L385 H387 H388 P389 A405 L408	G359-L402 WeakPolarHBondContact O-CA 3.45Å; L361-L402 HydrophobicContact CD1-CD2 4.27Å; L361-L402 HydrophobicContact CG-CD1 3.98Å; L361-L402 HydrophobicContact CG-CD2 4.39Å; L385-L402 HydrophobicContact CD1-CD2 4.03Å; H387-L402 HydrophobicContact CB-CB 4.25Å; H388-L402 PolarHBondContact O-N 2.78Å; P389-L402 HydrophobicContact CB-CD2 4.27Å; L402-A405 HydrophobicContact CD2-CB 4.29Å; L402-L408 HydrophobicContact CD2-CD2 3.85Å
403	R	94.3	Very high	90.9	Very high	156 Å²	156	43.9 Å²	43.9	59%	0.589	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-40.6	-173.2	-73.6	-167.8	168.8	178.5	-1.3	114.2	H358 G359 S401	H358-R403 HydrophobicContact CB-CG 4.28Å; H358-R403 WeakPolarHBondContact CD2-CD 3.08Å; H358-R403 PolarHBondContact CD2-NE 3.28Å; H358-R403 PolarHBondContact CE1-NH1 2.75Å; H358-R403 PolarHBondContact CE1-NH2 2.83Å; H358-R403 VanDerWaalsContact CE1-NH2 3.28Å; H358-R403 VanDerWaalsContact CG-NE 3.29Å; H358-R403 PolarHBondContact ND1-NH2 3.38Å; H358-R403 PolarHBondContact NE2-NE 3.3Å; H358-R403 PolarHBondContact NE2-NH1 3.17Å; G359-R403 PolarHBondContact O-N 2.8Å; S401-R403 PolarHBondContact O-N 2.99Å
404	N	95.3	Very high	91.9	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.064	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	37.4	-177.8	67.2	-25.5	0	0	0	112.6	E360 L361 G406 E407 L408	E360-N404 HydrophobicContact CG-CB 4.36Å; L361-N404 PolarHBondContact N-OD1 2.53Å; L361-N404 PolarHBondContact O-ND2 2.91Å; N404-G406 PolarHBondContact O-N 2.93Å; N404-G406 VanDerWaalsContact O-N 3.11Å; N404-E407 HydrophobicContact CB-CB 4.31Å; N404-E407 HydrophobicContact CB-CG 4.27Å; N404-E407 WeakPolarHBondContact O-CB 3.19Å; N404-E407 PolarHBondContact O-N 3.03Å; N404-L408 PolarHBondContact O-N 2.88Å
405	A	96.6	Very high	92.8	Very high	13 Å²	13	48.8 Å²	48.8	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-54.4	-30	176.4	0	0	0	0	0	113.5	P389 L402 L408 D409 W434	P389-A405 HydrophobicContact CB-CB 3.8Å; P389-A405 WeakPolarHBondContact O-CB 3.18Å; L402-A405 HydrophobicContact CD2-CB 4.29Å; A405-L408 PolarHBondContact O-N 2.84Å; A405-D409 WeakPolarHBondContact O-CB 3.32Å; A405-D409 PolarHBondContact O-N 2.84Å; A405-W434 HydrophobicContact CB-CZ2 4.2Å
406	G	96.7	Very high	93.6	Very high	49 Å²	49	50.1 Å²	50.1	51%	0.505	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-32.1	174.8	0	0	0	0	0	114.1	N404 T410	N404-G406 PolarHBondContact O-N 2.93Å; N404-G406 VanDerWaalsContact O-N 3.11Å; G406-T410 WeakPolarHBondContact O-CB 3.03Å; G406-T410 PolarHBondContact O-N 3.01Å; G406-T410 PolarHBondContact O-OG1 2.93Å
407	E	97.8	Very high	94.4	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-71.8	-41.1	174.4	-67	175.3	-137.8	0	0	110.7	L366 N404 D409 T410 V411	L366-E407 HydrophobicContact CD1-CB 3.8Å; L366-E407 WeakPolarHBondContact CD1-OE2 3.39Å; N404-E407 HydrophobicContact CB-CB 4.31Å; N404-E407 HydrophobicContact CB-CG 4.27Å; N404-E407 WeakPolarHBondContact O-CB 3.19Å; N404-E407 PolarHBondContact O-N 3.03Å; E407-D409 PolarHBondContact O-N 2.99Å; E407-T410 WeakPolarHBondContact O-CB 3.23Å; E407-T410 PolarHBondContact O-N 2.9Å; E407-V411 PolarHBondContact O-N 2.87Å; E407-V411 VanDerWaalsContact O-N 3.09Å
408	L	98.1	Very high	95.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-49.8	170.9	178.3	59.7	0	0	0	111	L349 L361 L366 L369 L383 L385 L402 N404 A405 T410 V411 L412 L421 W434	L349-L408 HydrophobicContact CD1-CD1 4.13Å; L361-L408 HydrophobicContact CD1-CB 4.03Å; L361-L408 HydrophobicContact CD1-CD1 3.77Å; L361-L408 HydrophobicContact CD1-CD2 4.06Å; L361-L408 HydrophobicContact CD1-CG 4.15Å; L366-L408 HydrophobicContact CD2-CB 4.39Å; L366-L408 HydrophobicContact CD2-CD1 4.43Å; L369-L408 HydrophobicContact CD2-CD1 3.47Å; L369-L408 VanDerWaalsContact CD2-CD1 3.47Å; L383-L408 HydrophobicContact CD2-CD1 4.18Å; L385-L408 HydrophobicContact CD1-CD2 4.2Å; L402-L408 HydrophobicContact CD2-CD2 3.85Å; N404-L408 PolarHBondContact O-N 2.88Å; A405-L408 PolarHBondContact O-N 2.84Å; L408-T410 VanDerWaalsContact C-N 3.27Å; L408-T410 PolarHBondContact O-N 3.27Å; L408-V411 PolarHBondContact O-N 3.48Å; L408-L412 HydrophobicContact CD1-CD1 3.76Å; L408-L412 HydrophobicContact CD1-CD2 4.39Å; L408-L412 HydrophobicContact CD1-CG 3.79Å; L408-L412 HydrophobicContact CD2-CD1 4.38Å; L408-L412 HydrophobicContact CG-CD1 3.76Å; L408-L412 HydrophobicContact CG-CG 4.17Å; L408-L412 WeakPolarHBondContact O-CB 3.27Å; L408-L412 VanDerWaalsContact O-CG 3.24Å; L408-L412 WeakPolarHBondContact O-CG 3.41Å; L408-L412 PolarHBondContact O-N 3.34Å; L408-L421 HydrophobicContact CD2-CD2 4.42Å; L408-W434 HydrophobicContact CB-CH2 4.44Å; L408-W434 HydrophobicContact CD2-CH2 4.04Å; L408-W434 HydrophobicContact CD2-CZ3 4.38Å; L408-W434 HydrophobicContact CG-CH2 4.1Å
409	D	98	Very high	95.8	Very high	41 Å²	41	53.8 Å²	53.8	22%	0.219	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-40.3	178.6	-172.5	57.1	0	0	0	112.2	A405 E407 V411 L412 A413 W434 N435	A405-D409 WeakPolarHBondContact O-CB 3.32Å; A405-D409 PolarHBondContact O-N 2.84Å; E407-D409 PolarHBondContact O-N 2.99Å; D409-V411 PolarHBondContact O-N 2.86Å; D409-L412 PolarHBondContact O-N 3.2Å; D409-A413 WeakPolarHBondContact O-CB 3.48Å; D409-A413 PolarHBondContact O-N 3.33Å; D409-W434 HydrophobicContact CB-CH2 3.93Å; D409-W434 HydrophobicContact CB-CZ2 4.01Å; D409-N435 WeakPolarHBondContact OD1-CB 3.39Å; D409-N435 PolarHBondContact OD1-ND2 2.84Å; D409-N435 PolarHBondContact OD2-ND2 3.38Å; D409-N435 VanDerWaalsContact OD2-ND2 3.11Å
410	T	97.9	Very high	96.4	Very high	92 Å²	92	48.5 Å²	48.5	56%	0.564	26%	0.262	S	S	*	.	H	α-helix	trans	-61	-44.5	177.1	-60.8	0	0	0	0	112.2	G406 E407 L408	G406-T410 WeakPolarHBondContact O-CB 3.03Å; G406-T410 PolarHBondContact O-N 3.01Å; G406-T410 PolarHBondContact O-OG1 2.93Å; E407-T410 WeakPolarHBondContact O-CB 3.23Å; E407-T410 PolarHBondContact O-N 2.9Å; L408-T410 VanDerWaalsContact C-N 3.27Å; L408-T410 PolarHBondContact O-N 3.27Å
411	V	97.3	Very high	96.8	Very high	13 Å²	13	46.7 Å²	46.7	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-50.9	174.9	172.4	0	0	0	0	109.8	L366 L369 E370 E407 L408 D409 A413 K414 F415	L366-V411 HydrophobicContact CB-CG2 4.38Å; L366-V411 HydrophobicContact CD2-CG2 4.25Å; L369-V411 HydrophobicContact CD2-CG1 3.98Å; L369-V411 HydrophobicContact CG-CG1 4.17Å; E370-V411 HydrophobicContact CB-CG1 3.89Å; E407-V411 PolarHBondContact O-N 2.87Å; E407-V411 VanDerWaalsContact O-N 3.09Å; L408-V411 PolarHBondContact O-N 3.48Å; D409-V411 PolarHBondContact O-N 2.86Å; V411-A413 VanDerWaalsContact C-N 3.25Å; V411-A413 PolarHBondContact O-N 3.27Å; V411-K414 WeakPolarHBondContact O-CB 3.34Å; V411-K414 PolarHBondContact O-N 2.83Å; V411-F415 HydrophobicContact CG1-CE2 4.36Å; V411-F415 WeakPolarHBondContact O-CD2 3.25Å
412	L	97.6	Very high	97.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.6	-24.4	-173.2	-68.9	-175.7	0	0	0	113	L369 L373 L383 L408 D409 K414 F415 V418 W434 R437	L369-L412 HydrophobicContact CD1-CD2 4.46Å; L369-L412 HydrophobicContact CD2-CD2 3.86Å; L369-L412 HydrophobicContact CD2-CG 4.38Å; L369-L412 HydrophobicContact CG-CD2 4.45Å; L373-L412 HydrophobicContact CD1-CD2 3.97Å; L383-L412 HydrophobicContact CD2-CD1 4Å; L383-L412 HydrophobicContact CD2-CD2 4.22Å; L408-L412 HydrophobicContact CD1-CD1 3.76Å; L408-L412 HydrophobicContact CD1-CD2 4.39Å; L408-L412 HydrophobicContact CD1-CG 3.79Å; L408-L412 HydrophobicContact CD2-CD1 4.38Å; L408-L412 HydrophobicContact CG-CD1 3.76Å; L408-L412 HydrophobicContact CG-CG 4.17Å; L408-L412 WeakPolarHBondContact O-CB 3.27Å; L408-L412 VanDerWaalsContact O-CG 3.24Å; L408-L412 WeakPolarHBondContact O-CG 3.41Å; L408-L412 PolarHBondContact O-N 3.34Å; D409-L412 PolarHBondContact O-N 3.2Å; L412-K414 PolarHBondContact O-N 3.05Å; L412-F415 PolarHBondContact O-N 2.94Å; L412-V418 HydrophobicContact CD2-CB 4.18Å; L412-V418 HydrophobicContact CD2-CG1 3.89Å; L412-V418 HydrophobicContact CD2-CG2 4.12Å; L412-W434 HydrophobicContact CD1-CZ3 4.05Å; L412-R437 PolarHBondContact O-NH1 3.3Å; L412-R437 VanDerWaalsContact O-NH1 3.16Å; L412-R437 PolarHBondContact O-NH2 3.16Å
413	A	96.9	Very high	97.2	Very high	72 Å²	72	45.6 Å²	45.6	60%	0.595	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.8	176.6	0	0	0	0	0	112.6	D409 V411 F415 R437	D409-A413 WeakPolarHBondContact O-CB 3.48Å; D409-A413 PolarHBondContact O-N 3.33Å; V411-A413 VanDerWaalsContact C-N 3.25Å; V411-A413 PolarHBondContact O-N 3.27Å; A413-F415 VanDerWaalsContact C-N 3.31Å; A413-R437 VanDerWaalsContact N-NH2 3.15Å
414	K	96.9	Very high	97.3	Very high	113 Å²	113	38.1 Å²	38.1	49%	0.491	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.7	176	-54.7	170.3	-175.2	172.3	0	113	E370 V411 L412	E370-K414 WeakPolarHBondContact OE1-CD 3.39Å; E370-K414 IonicContact OE1-NZ 3.92Å; E370-K414 PolarHBondContact OE1-NZ 3.26Å; E370-K414 IonicContact OE2-NZ 3.64Å; E370-K414 PolarHBondContact OE2-NZ 3.39Å; V411-K414 WeakPolarHBondContact O-CB 3.34Å; V411-K414 PolarHBondContact O-N 2.83Å; L412-K414 PolarHBondContact O-N 3.05Å
415	F	97.2	Very high	97.3	Very high	28 Å²	28	37.9 Å²	37.9	12%	0.123	22%	0.217	C	C	.	.			trans	-127.1	87.9	-169.2	-57.8	-76.8	0	0	0	111.8	E370 L373 A374 V411 L412 A413 H417 V418	E370-F415 HydrophobicContact CB-CE2 4.45Å; E370-F415 HydrophobicContact CG-CE2 3.97Å; E370-F415 HydrophobicContact CG-CZ 4Å; L373-F415 HydrophobicContact CB-CB 4.39Å; L373-F415 HydrophobicContact CB-CD1 3.58Å; L373-F415 HydrophobicContact CB-CD2 3.86Å; L373-F415 HydrophobicContact CB-CE1 3.67Å; L373-F415 HydrophobicContact CB-CE2 3.94Å; L373-F415 HydrophobicContact CB-CG 3.67Å; L373-F415 HydrophobicContact CB-CZ 3.85Å; L373-F415 HydrophobicContact CD1-CB 3.98Å; L373-F415 HydrophobicContact CD1-CD2 3.47Å; L373-F415 VanDerWaalsContact CD1-CD2 3.47Å; L373-F415 HydrophobicContact CD1-CE2 4.04Å; L373-F415 HydrophobicContact CD1-CG 3.74Å; L373-F415 HydrophobicContact CG-CD2 4.31Å; L373-F415 HydrophobicContact CG-CG 4.27Å; A374-F415 HydrophobicContact CB-CE1 4.2Å; A374-F415 HydrophobicContact CB-CZ 4.28Å; V411-F415 HydrophobicContact CG1-CE2 4.36Å; V411-F415 WeakPolarHBondContact O-CD2 3.25Å; L412-F415 PolarHBondContact O-N 2.94Å; A413-F415 VanDerWaalsContact C-N 3.31Å; F415-H417 PolarHBondContact O-N 2.66Å; F415-V418 HydrophobicContact CB-CG2 3.94Å; F415-V418 PolarHBondContact O-N 3.46Å
416	P	94.7	Very high	97.2	Very high	94 Å²	94	37.2 Å²	37.2	61%	0.61	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.2	-173.7	27.5	-35.4	0	0	0	114.7	V418	P416-V418 VanDerWaalsContact C-N 3.28Å
417	H	96.2	Very high	97.1	Very high	58 Å²	58	34.9 Å²	34.9	27%	0.269	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6	175.7	-67.6	-85	0	0	0	113.6	P377 R379 H380 T381 F415 K419	P377-H417 PolarHBondContact O-CD2 2.73Å; R379-H417 WeakPolarHBondContact O-CB 3.47Å; H380-H417 AromaticContact CE1-ND1 3.97Å; H380-H417 AromaticContact ND1-ND1 3.85Å; T381-H417 PolarHBondContact N-O 3.11Å; F415-H417 PolarHBondContact O-N 2.66Å; H417-K419 PolarHBondContact O-N 2.62Å
418	V	97.8	Very high	96.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	87.5	170.3	-167	0	0	0	0	109.6	L373 T381 L383 L412 F415 P416 R437	L373-V418 HydrophobicContact CD1-CG2 3.8Å; L373-V418 HydrophobicContact CD2-CG2 3.4Å; L373-V418 HydrophobicContact CG-CG2 4.26Å; T381-V418 HydrophobicContact CG2-CG1 4.32Å; T381-V418 HydrophobicContact CG2-CG2 4.25Å; L383-V418 HydrophobicContact CB-CG1 4.21Å; L412-V418 HydrophobicContact CD2-CB 4.18Å; L412-V418 HydrophobicContact CD2-CG1 3.89Å; L412-V418 HydrophobicContact CD2-CG2 4.12Å; F415-V418 HydrophobicContact CB-CG2 3.94Å; F415-V418 PolarHBondContact O-N 3.46Å; P416-V418 VanDerWaalsContact C-N 3.28Å; V418-R437 PolarHBondContact O-NH1 3.4Å
419	K	97.2	Very high	96.7	Very high	89 Å²	89	35.2 Å²	35.2	39%	0.387	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-14.4	-174.2	-66.6	-178.2	-178.9	176.6	0	114.4	H417 R437 R438	H417-K419 PolarHBondContact O-N 2.62Å; K419-R437 CarbonylContact O-C 3.44Å; K419-R437 WeakPolarHBondContact O-CA 3.39Å; K419-R438 PolarHBondContact O-N 3.5Å
420	Y	98.5	Very high	96.5	Very high	25 Å²	25	34.3 Å²	34.3	10%	0.098	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.9	-169.6	-54.6	-75	0	0	0	111.5	W344 L382 L383 R438 G474 T475 L476	W344-Y420 AromaticContact CH2-CD2 3.73Å; W344-Y420 HydrophobicContact CH2-CD2 3.73Å; W344-Y420 AromaticContact CH2-CE2 3.64Å; W344-Y420 HydrophobicContact CH2-CE2 3.64Å; W344-Y420 HydrophobicContact CZ3-CD2 4.05Å; W344-Y420 HydrophobicContact CZ3-CE2 4.39Å; L382-Y420 VanDerWaalsContact CD1-CB 3.48Å; L383-Y420 PolarHBondContact N-O 3.28Å; Y420-R438 WeakPolarHBondContact CA-O 3.42Å; Y420-R438 HydrophobicContact CD1-CB 3.87Å; Y420-R438 HydrophobicContact CE1-CB 4.14Å; Y420-G474 VanDerWaalsContact CE2-O 3.31Å; Y420-G474 WeakPolarHBondContact CE2-O 3.46Å; Y420-G474 PolarHBondContact OH-O 2.89Å; Y420-T475 WeakPolarHBondContact OH-CA 3.37Å; Y420-L476 HydrophobicContact CD1-CB 3.94Å; Y420-L476 HydrophobicContact CD1-CD1 4.04Å; Y420-L476 HydrophobicContact CD1-CG 4.42Å; Y420-L476 HydrophobicContact CD2-CB 4.19Å; Y420-L476 HydrophobicContact CD2-CD1 4.22Å; Y420-L476 HydrophobicContact CE1-CB 3.66Å; Y420-L476 HydrophobicContact CE2-CB 3.91Å; Y420-L476 HydrophobicContact CG-CB 4.21Å; Y420-L476 HydrophobicContact CG-CD1 3.84Å; Y420-L476 PolarHBondContact OH-N 3.43Å
421	L	98.6	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139	170.5	-75.9	78.9	0	0	0	109.3	L383 L385 P389 L408 W434 R437 R438 L439 L440	L383-L421 HydrophobicContact CB-CG 4.27Å; L383-L421 HydrophobicContact CD2-CD2 4.38Å; L383-L421 HydrophobicContact CD2-CG 4.25Å; L383-L421 CarbonylContact O-C 3.58Å; L383-L421 VanDerWaalsContact O-CA 3.27Å; L383-L421 WeakPolarHBondContact O-CA 3.25Å; L385-L421 HydrophobicContact CD2-CB 4.42Å; L385-L421 HydrophobicContact CD2-CD2 4.22Å; P389-L421 HydrophobicContact CG-CD2 4.03Å; L408-L421 HydrophobicContact CD2-CD2 4.42Å; L421-W434 HydrophobicContact CD1-CE3 4.28Å; L421-W434 HydrophobicContact CD1-CZ3 4.4Å; L421-W434 HydrophobicContact CD2-CE3 3.79Å; L421-W434 HydrophobicContact CD2-CZ3 3.62Å; L421-R437 HydrophobicContact CD1-CB 3.88Å; L421-R437 HydrophobicContact CD1-CG 4.38Å; L421-R438 PolarHBondContact N-O 2.85Å; L421-L439 HydrophobicContact CB-CD1 3.66Å; L421-L439 HydrophobicContact CD2-CD1 4.41Å; L421-L440 PolarHBondContact O-N 2.94Å
422	L	98.7	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.7	180	-171	66	0	0	0	111	Q241 V282 L382 L383 L384 L385 L440 L468	Q241-L422 HydrophobicContact CB-CD2 4.33Å; Q241-L422 HydrophobicContact CG-CD2 4.26Å; V282-L422 HydrophobicContact CG2-CD2 4.2Å; L382-L422 HydrophobicContact CD1-CB 4.22Å; L383-L422 PolarHBondContact O-N 2.96Å; L384-L422 WeakPolarHBondContact CA-O 3.26Å; L384-L422 HydrophobicContact CD1-CB 4.16Å; L384-L422 HydrophobicContact CD1-CD2 4.44Å; L384-L422 HydrophobicContact CG-CB 4.22Å; L384-L422 HydrophobicContact CG-CD2 4.32Å; L385-L422 PolarHBondContact N-O 3.3Å; L385-L422 VanDerWaalsContact N-O 3.17Å; L422-L440 WeakPolarHBondContact CA-O 3.44Å; L422-L440 HydrophobicContact CD1-CB 3.65Å; L422-L440 HydrophobicContact CD1-CD1 4.17Å; L422-L468 HydrophobicContact CD1-CD2 4.03Å; L422-L468 HydrophobicContact CD2-CD1 3.96Å; L422-L468 HydrophobicContact CD2-CD2 3.95Å
423	C	98.2	Very high	96.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	159.5	-175.8	-60.4	0	0	0	0	113.9	Q241 L385 H388 L440 A441 T442	Q241-C423 PolarHBondContact NE2-O 3.37Å; L385-C423 WeakPolarHBondContact CD2-SG 3.24Å; L385-C423 VanDerWaalsContact O-CA 3.25Å; L385-C423 WeakPolarHBondContact O-CA 3.25Å; H388-C423 HydrophobicContact CB-CB 4.39Å; C423-L440 PolarHBondContact N-O 3.42Å; C423-A441 HydrophobicContact CB-CB 4.5Å; C423-T442 PolarHBondContact O-N 2.85Å
424	G	97.1	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.			trans	-110.8	-133.3	164.2	0	0	0	0	0	110.4	T243 D244 H386 I426	T243-G424 WeakPolarHBondContact OG1-CA 3.48Å; D244-G424 WeakPolarHBondContact OD2-CA 3.45Å; H386-G424 CarbonylContact O-C 3.59Å; H386-G424 PolarHBondContact O-N 3.42Å; G424-I426 PolarHBondContact O-N 3.41Å
425	H	95.6	Very high	96.1	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.028	20%	0.197	C	C	.	.	S	Bend	trans	72.1	-42.9	166.3	-172.9	64.4	0	0	0	116.3	D244 N316 P357 H386 H387 H400 H427	D244-H425 VanDerWaalsContact CG-N 3.33Å; D244-H425 WeakPolarHBondContact OD1-CA 3.09Å; D244-H425 PolarHBondContact OD1-N 2.97Å; D244-H425 PolarHBondContact OD2-N 2.81Å; N316-H425 PolarHBondContact OD1-CE1 3.45Å; N316-H425 PolarHBondContact OD1-ND1 3.17Å; P357-H425 PolarHBondContact O-CE1 3.35Å; H386-H425 AromaticContact CD2-CG 3.86Å; H386-H425 AromaticContact CD2-ND1 3.58Å; H386-H425 VanDerWaalsContact CE1-CA 3.49Å; H386-H425 WeakPolarHBondContact CE1-CA 3.43Å; H386-H425 AromaticContact CE1-ND1 3.94Å; H386-H425 WeakPolarHBondContact NE2-CB 3.34Å; H386-H425 AromaticContact NE2-CG 3.5Å; H386-H425 AromaticContact NE2-ND1 3.01Å; H386-H425 PolarHBondContact NE2-ND1 2.93Å; H386-H425 WeakPolarHBondContact O-CB 3.37Å; H387-H425 AromaticContact CD2-CD2 3.97Å; H387-H425 AromaticContact CD2-CE1 3.74Å; H387-H425 AromaticContact CD2-CG 3.99Å; H387-H425 AromaticContact CD2-ND1 3.86Å; H387-H425 AromaticContact CD2-NE2 3.82Å; H400-H425 VanDerWaalsContact CB-NE2 3.28Å; H400-H425 WeakPolarHBondContact CB-NE2 3.37Å; H400-H425 PolarHBondContact O-NE2 3.02Å; H425-H427 PolarHBondContact O-CD2 3.3Å; H425-H427 VanDerWaalsContact O-CD2 3.28Å
426	I	94.1	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-95.4	-1	-169	63.6	166.9	0	0	0	114.2	H388 A392 G424 Q428 L430 A441 F449	H388-I426 WeakPolarHBondContact CE1-CG2 3.36Å; H388-I426 WeakPolarHBondContact ND1-CG2 3.48Å; A392-I426 HydrophobicContact CB-CD1 4.17Å; G424-I426 PolarHBondContact O-N 3.41Å; I426-Q428 HydrophobicContact CD1-CB 4.01Å; I426-Q428 HydrophobicContact CG1-CB 4.07Å; I426-Q428 WeakPolarHBondContact O-CG 3.28Å; I426-Q428 PolarHBondContact O-N 3.47Å; I426-Q428 PolarHBondContact O-NE2 2.97Å; I426-L430 HydrophobicContact CD1-CD1 3.26Å; I426-L430 HydrophobicContact CD1-CG 3.75Å; I426-A441 HydrophobicContact CD1-CB 3.54Å; I426-A441 HydrophobicContact CG1-CB 3.87Å; I426-F449 WeakPolarHBondContact O-CD2 3.22Å
427	H	95.1	Very high	96.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.			trans	50.3	36.9	177.9	-59.9	-149.2	0	0	0	112.9	D244 H246 H425 S444 V447 Q448 F449	D244-H427 IonicContact OD1-CD2 3.95Å; D244-H427 IonicContact OD1-NE2 3.36Å; D244-H427 PolarHBondContact OD1-NE2 3.38Å; H246-H427 AromaticContact CD2-CE1 3.56Å; H246-H427 AromaticContact CD2-NE2 3.69Å; H246-H427 AromaticContact NE2-CE1 3.49Å; H246-H427 PolarHBondContact NE2-CE1 2.68Å; H246-H427 AromaticContact NE2-NE2 3.19Å; H246-H427 PolarHBondContact NE2-NE2 2.99Å; H246-H427 VanDerWaalsContact NE2-NE2 3.19Å; H425-H427 PolarHBondContact O-CD2 3.3Å; H425-H427 VanDerWaalsContact O-CD2 3.28Å; H427-S444 PolarHBondContact ND1-OG 2.97Å; H427-V447 PolarHBondContact ND1-O 3.19Å; H427-Q448 PolarHBondContact O-OE1 3.48Å; H427-F449 HydrophobicContact CB-CB 4.46Å; H427-F449 HydrophobicContact CB-CD2 3.67Å; H427-F449 HydrophobicContact CB-CE2 3.97Å; H427-F449 HydrophobicContact CB-CG 4.05Å; H427-F449 AromaticContact CD2-CE2 3.75Å; H427-F449 AromaticContact CG-CD2 3.87Å; H427-F449 AromaticContact CG-CE2 3.62Å; H427-F449 AromaticContact ND1-CE2 3.91Å; H427-F449 AromaticContact ND1-CZ 3.86Å; H427-F449 PolarHBondContact O-N 3.34Å
428	Q	93.4	Very high	96.2	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.037	20%	0.195	C	C	.	.	S	Bend	trans	-140.6	150.3	-174.3	-76.8	167.9	56.4	0	0	109.8	I426 A441 T442 F449	I426-Q428 HydrophobicContact CD1-CB 4.01Å; I426-Q428 HydrophobicContact CG1-CB 4.07Å; I426-Q428 WeakPolarHBondContact O-CG 3.28Å; I426-Q428 PolarHBondContact O-N 3.47Å; I426-Q428 PolarHBondContact O-NE2 2.97Å; Q428-A441 CarbonylContact O-C 3.29Å; Q428-A441 VanDerWaalsContact O-C 3.29Å; Q428-T442 CarbonylContact O-C 3.56Å; Q428-T442 PolarHBondContact O-N 3.28Å; Q428-F449 HydrophobicContact CG-CB 4.46Å; Q428-F449 WeakPolarHBondContact CG-O 3.27Å
429	E	94.3	Very high	96.2	Very high	98 Å²	98	37.2 Å²	37.2	46%	0.458	20%	0.195	S	C	.	.			trans	-83	121.4	167	172.9	172.8	-168.7	0	0	109.4	A441 P443 V480	E429-A441 WeakPolarHBondContact CA-O 3.34Å; E429-P443 HydrophobicContact CB-CG 4.24Å; E429-V480 HydrophobicContact CB-CG2 4.38Å; E429-V480 HydrophobicContact CG-CB 4.47Å; E429-V480 HydrophobicContact CG-CG2 3.83Å; E429-V480 WeakPolarHBondContact OE1-CG2 3.38Å
430	L	93.7	Very high	96.3	Very high	23 Å²	23	33 Å²	33	12%	0.12	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149	167.9	-61.7	180	0	0	0	110.7	A392 I426 L432 L440 A441 R466	A392-L430 HydrophobicContact CB-CD1 4.45Å; I426-L430 HydrophobicContact CD1-CD1 3.26Å; I426-L430 HydrophobicContact CD1-CG 3.75Å; L430-L432 HydrophobicContact CB-CD1 4.45Å; L430-L432 HydrophobicContact CB-CG 4.49Å; L430-L432 HydrophobicContact CD1-CD1 4.26Å; L430-L432 HydrophobicContact CD2-CD1 4.34Å; L430-L440 WeakPolarHBondContact O-CA 3.48Å; L430-A441 HydrophobicContact CB-CB 3.77Å; L430-A441 HydrophobicContact CD1-CB 4.1Å; L430-A441 HydrophobicContact CG-CB 4Å; L430-A441 PolarHBondContact N-O 2.77Å; L430-A441 VanDerWaalsContact N-O 3.13Å; L430-A441 PolarHBondContact O-N 3.43Å; L430-A441 VanDerWaalsContact O-N 3.07Å; L430-R466 PolarHBondContact O-NH2 3.26Å
431	D	95.8	Very high	96.2	Very high	77 Å²	77	31.9 Å²	31.9	41%	0.412	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	93.7	171.2	-169.5	-7	0	0	0	108.4	R438 L439 L440	D431-R438 WeakPolarHBondContact OD1-CG 3.49Å; D431-R438 IonicContact OD1-CZ 3.19Å; D431-R438 IonicContact OD1-NE 3.1Å; D431-R438 PolarHBondContact OD1-NE 3.28Å; D431-R438 IonicContact OD1-NH2 2.66Å; D431-R438 IonicContact OD2-CZ 2.84Å; D431-R438 IonicContact OD2-NE 2.61Å; D431-R438 PolarHBondContact OD2-NE 3.38Å; D431-R438 IonicContact OD2-NH2 2.81Å; D431-R438 PolarHBondContact OD2-NH2 3.45Å; D431-L439 WeakPolarHBondContact CA-O 3.23Å; D431-L440 HydrophobicContact CB-CD2 3.99Å; D431-L440 WeakPolarHBondContact OD1-CD2 3.47Å
432	L	94.8	Very high	96.2	Very high	73 Å²	73	31.9 Å²	31.9	38%	0.382	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.7	-167.9	-61.1	175.4	0	0	0	111.3	L390 L430 R438 L439	L390-L432 HydrophobicContact CD2-CB 4.48Å; L390-L432 HydrophobicContact CD2-CD1 3.84Å; L430-L432 HydrophobicContact CB-CD1 4.45Å; L430-L432 HydrophobicContact CB-CG 4.49Å; L430-L432 HydrophobicContact CD1-CD1 4.26Å; L430-L432 HydrophobicContact CD2-CD1 4.34Å; L432-R438 CarbonylContact O-C 3.58Å; L432-R438 WeakPolarHBondContact O-CA 3.26Å; L432-L439 PolarHBondContact N-O 3.36Å; L432-L439 PolarHBondContact O-N 3.07Å
433	D	95.9	Very high	96.1	Very high	116 Å²	116	31.9 Å²	31.9	62%	0.62	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.9	164.9	-172.2	-79.2	0	0	0	109.6	N435 G436 R437	D433-N435 PolarHBondContact OD1-N 3.28Å; D433-G436 PolarHBondContact OD1-N 2.93Å; D433-G436 WeakPolarHBondContact OD2-CA 3.28Å; D433-R437 WeakPolarHBondContact CA-O 3.38Å
434	W	95.6	Very high	96.1	Very high	15 Å²	15	31.9 Å²	31.9	6%	0.057	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	99.9	171.5	-179	66.7	0	0	0	108.6	P389 A405 L408 D409 L412 L421 G436 R437 L439	P389-W434 HydrophobicContact CB-CD2 4.28Å; P389-W434 HydrophobicContact CB-CH2 4.04Å; P389-W434 HydrophobicContact CB-CZ2 3.69Å; P389-W434 HydrophobicContact CB-CZ3 4.46Å; P389-W434 HydrophobicContact CG-CD2 3.93Å; P389-W434 HydrophobicContact CG-CE3 4.08Å; P389-W434 HydrophobicContact CG-CG 4.45Å; P389-W434 HydrophobicContact CG-CH2 4.36Å; P389-W434 HydrophobicContact CG-CZ2 4.22Å; P389-W434 HydrophobicContact CG-CZ3 4.29Å; A405-W434 HydrophobicContact CB-CZ2 4.2Å; L408-W434 HydrophobicContact CB-CH2 4.44Å; L408-W434 HydrophobicContact CD2-CH2 4.04Å; L408-W434 HydrophobicContact CD2-CZ3 4.38Å; L408-W434 HydrophobicContact CG-CH2 4.1Å; D409-W434 HydrophobicContact CB-CH2 3.93Å; D409-W434 HydrophobicContact CB-CZ2 4.01Å; L412-W434 HydrophobicContact CD1-CZ3 4.05Å; L421-W434 HydrophobicContact CD1-CE3 4.28Å; L421-W434 HydrophobicContact CD1-CZ3 4.4Å; L421-W434 HydrophobicContact CD2-CE3 3.79Å; L421-W434 HydrophobicContact CD2-CZ3 3.62Å; W434-G436 VanDerWaalsContact C-N 3.31Å; W434-G436 PolarHBondContact O-N 2.75Å; W434-R437 PolarHBondContact N-O 3.2Å; W434-R437 WeakPolarHBondContact O-CB 3.38Å; W434-R437 PolarHBondContact O-N 3.32Å; W434-L439 HydrophobicContact CB-CB 4.03Å; W434-L439 HydrophobicContact CB-CD2 4.31Å
435	N	95.1	Very high	96.1	Very high	97 Å²	97	31.9 Å²	31.9	52%	0.519	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	43.4	179.9	-59.9	-24.6	0	0	0	113.5	D409 D433	D409-N435 WeakPolarHBondContact OD1-CB 3.39Å; D409-N435 PolarHBondContact OD1-ND2 2.84Å; D409-N435 PolarHBondContact OD2-ND2 3.38Å; D409-N435 VanDerWaalsContact OD2-ND2 3.11Å; D433-N435 PolarHBondContact OD1-N 3.28Å
436	G	95.8	Very high	96.1	Very high	59 Å²	59	31.7 Å²	31.7	61%	0.608	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	10.5	179.9	0	0	0	0	0	114.8	D433 W434	D433-G436 PolarHBondContact OD1-N 2.93Å; D433-G436 WeakPolarHBondContact OD2-CA 3.28Å; W434-G436 VanDerWaalsContact C-N 3.31Å; W434-G436 PolarHBondContact O-N 2.75Å
437	R	97.5	Very high	96.1	Very high	20 Å²	20	31.8 Å²	31.8	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.3	174.5	-52.5	169.4	-151.9	-87.5	-5.7	109.2	L412 A413 V418 K419 L421 D433 W434 L439	L412-R437 PolarHBondContact O-NH1 3.3Å; L412-R437 VanDerWaalsContact O-NH1 3.16Å; L412-R437 PolarHBondContact O-NH2 3.16Å; A413-R437 VanDerWaalsContact N-NH2 3.15Å; V418-R437 PolarHBondContact O-NH1 3.4Å; K419-R437 CarbonylContact O-C 3.44Å; K419-R437 WeakPolarHBondContact O-CA 3.39Å; L421-R437 HydrophobicContact CD1-CB 3.88Å; L421-R437 HydrophobicContact CD1-CG 4.38Å; D433-R437 WeakPolarHBondContact CA-O 3.38Å; W434-R437 PolarHBondContact N-O 3.2Å; W434-R437 WeakPolarHBondContact O-CB 3.38Å; W434-R437 PolarHBondContact O-N 3.32Å; R437-L439 PolarHBondContact O-N 2.65Å
438	R	97.8	Very high	96.1	Very high	75 Å²	75	31.9 Å²	31.9	28%	0.283	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	113	175.1	-172.1	-179	-173.4	-173.4	2.5	109.5	K419 Y420 L421 D431 L432 L440 L476	K419-R438 PolarHBondContact O-N 3.5Å; Y420-R438 WeakPolarHBondContact CA-O 3.42Å; Y420-R438 HydrophobicContact CD1-CB 3.87Å; Y420-R438 HydrophobicContact CE1-CB 4.14Å; L421-R438 PolarHBondContact N-O 2.85Å; D431-R438 WeakPolarHBondContact OD1-CG 3.49Å; D431-R438 IonicContact OD1-CZ 3.19Å; D431-R438 IonicContact OD1-NE 3.1Å; D431-R438 PolarHBondContact OD1-NE 3.28Å; D431-R438 IonicContact OD1-NH2 2.66Å; D431-R438 IonicContact OD2-CZ 2.84Å; D431-R438 IonicContact OD2-NE 2.61Å; D431-R438 PolarHBondContact OD2-NE 3.38Å; D431-R438 IonicContact OD2-NH2 2.81Å; D431-R438 PolarHBondContact OD2-NH2 3.45Å; L432-R438 CarbonylContact O-C 3.58Å; L432-R438 WeakPolarHBondContact O-CA 3.26Å; R438-L440 HydrophobicContact CG-CD2 4.16Å; R438-L440 HydrophobicContact CG-CG 4.43Å; R438-L476 PolarHBondContact NH1-O 2.8Å
439	L	97.9	Very high	96	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.3	175.4	174.9	64.6	0	0	0	109.7	P389 L390 L421 D431 L432 W434 R437	P389-L439 HydrophobicContact CG-CD1 3.98Å; P389-L439 HydrophobicContact CG-CD2 3.96Å; L390-L439 HydrophobicContact CB-CD2 3.71Å; L421-L439 HydrophobicContact CB-CD1 3.66Å; L421-L439 HydrophobicContact CD2-CD1 4.41Å; D431-L439 WeakPolarHBondContact CA-O 3.23Å; L432-L439 PolarHBondContact N-O 3.36Å; L432-L439 PolarHBondContact O-N 3.07Å; W434-L439 HydrophobicContact CB-CB 4.03Å; W434-L439 HydrophobicContact CB-CD2 4.31Å; R437-L439 PolarHBondContact O-N 2.65Å
440	L	98.1	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.3	178.2	-59.5	173.5	0	0	0	109.7	L421 L422 C423 L430 D431 R438 L468 L476 T478	L421-L440 PolarHBondContact O-N 2.94Å; L422-L440 WeakPolarHBondContact CA-O 3.44Å; L422-L440 HydrophobicContact CD1-CB 3.65Å; L422-L440 HydrophobicContact CD1-CD1 4.17Å; C423-L440 PolarHBondContact N-O 3.42Å; L430-L440 WeakPolarHBondContact O-CA 3.48Å; D431-L440 HydrophobicContact CB-CD2 3.99Å; D431-L440 WeakPolarHBondContact OD1-CD2 3.47Å; R438-L440 HydrophobicContact CG-CD2 4.16Å; R438-L440 HydrophobicContact CG-CG 4.43Å; L440-L468 HydrophobicContact CD1-CD2 4.07Å; L440-L476 HydrophobicContact CD1-CD2 4.01Å; L440-T478 HydrophobicContact CD1-CG2 4.05Å; L440-T478 HydrophobicContact CD2-CG2 4.1Å
441	A	96.8	Very high	95.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.5	165.5	0	0	0	0	0	110	C423 I426 Q428 E429 L430 R466	C423-A441 HydrophobicContact CB-CB 4.5Å; I426-A441 HydrophobicContact CD1-CB 3.54Å; I426-A441 HydrophobicContact CG1-CB 3.87Å; Q428-A441 CarbonylContact O-C 3.29Å; Q428-A441 VanDerWaalsContact O-C 3.29Å; E429-A441 WeakPolarHBondContact CA-O 3.34Å; L430-A441 HydrophobicContact CB-CB 3.77Å; L430-A441 HydrophobicContact CD1-CB 4.1Å; L430-A441 HydrophobicContact CG-CB 4Å; L430-A441 PolarHBondContact N-O 2.77Å; L430-A441 VanDerWaalsContact N-O 3.13Å; L430-A441 PolarHBondContact O-N 3.43Å; L430-A441 VanDerWaalsContact O-N 3.07Å; A441-R466 PolarHBondContact O-NH2 3.01Å
442	T	98	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.			trans	-120.7	140.2	-168.5	-68.7	0	0	0	0	111.6	Q241 T243 C423 Q428 R466	Q241-T442 VanDerWaalsContact CD-OG1 3.28Å; Q241-T442 HydrophobicContact CG-CG2 4.25Å; Q241-T442 PolarHBondContact OE1-OG1 2.84Å; T243-T442 HydrophobicContact CG2-CG2 3.88Å; C423-T442 PolarHBondContact O-N 2.85Å; Q428-T442 CarbonylContact O-C 3.56Å; Q428-T442 PolarHBondContact O-N 3.28Å; T442-R466 HydrophobicContact CG2-CB 3.53Å; T442-R466 WeakPolarHBondContact OG1-CB 3.48Å; T442-R466 VanDerWaalsContact OG1-CD 3.23Å; T442-R466 WeakPolarHBondContact OG1-CD 3.37Å; T442-R466 PolarHBondContact OG1-NE 3.46Å
443	P	97.6	Very high	94	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.			trans	-52.5	146.8	170.6	-31.9	40.4	0	0	0	112.7	E429 Q448 V480	E429-P443 HydrophobicContact CB-CG 4.24Å; P443-Q448 VanDerWaalsContact CB-OE1 3.32Å; P443-V480 HydrophobicContact CG-CG1 3.6Å
444	S	97.7	Very high	93.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.			trans	-70.6	160.5	169.6	81.1	0	0	0	0	110.8	D244 H427 C446 V447 Q448 G464	D244-S444 WeakPolarHBondContact O-CB 3.46Å; H427-S444 PolarHBondContact ND1-OG 2.97Å; S444-C446 PolarHBondContact O-N 3.07Å; S444-C446 PolarHBondContact OG-N 2.93Å; S444-C446 PolarHBondContact OG-O 2.86Å; S444-V447 PolarHBondContact OG-N 3.21Å; S444-V447 PolarHBondContact OG-O 3.22Å; S444-Q448 PolarHBondContact O-NE2 2.84Å; S444-Q448 PolarHBondContact OG-NE2 3.29Å; S444-G464 CarbonylContact C-O 3.58Å; S444-G464 PolarHBondContact O-N 2.94Å
445	T	97.5	Very high	92.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-79.7	11.6	167.3	71.9	0	0	0	0	113	I242 T243 T245 S263 V267	I242-T445 HydrophobicContact CG2-CG2 3.87Å; T243-T445 PolarHBondContact O-N 3.36Å; T245-T445 WeakPolarHBondContact CA-OG1 3.47Å; T245-T445 HydrophobicContact CG2-CG2 4.19Å; T245-T445 WeakPolarHBondContact CG2-OG1 3.38Å; S263-T445 WeakPolarHBondContact CB-O 3.46Å; S263-T445 PolarHBondContact OG-O 2.8Å; V267-T445 HydrophobicContact CB-CG2 4.43Å; V267-T445 HydrophobicContact CG1-CG2 4.01Å; V267-T445 HydrophobicContact CG2-CG2 4.37Å
446	C	94.7	Very high	92.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.192	C	C	.	.	S	Bend	trans	-137.3	-122.9	178.2	65.6	0	0	0	0	111	D244 T260 S444 Q448 P463	D244-C446 PolarHBondContact O-SG 3.16Å; D244-C446 VanDerWaalsContact O-SG 3.34Å; T260-C446 HydrophobicContact CG2-CB 4.24Å; S444-C446 PolarHBondContact O-N 3.07Å; S444-C446 PolarHBondContact OG-N 2.93Å; S444-C446 PolarHBondContact OG-O 2.86Å; C446-Q448 PolarHBondContact O-NE2 2.92Å; C446-P463 WeakPolarHBondContact O-CG 3.29Å
447	V	94.5	Very high	91.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.177	C	C	.	.			trans	-69.2	147.5	-176.4	-59.8	0	0	0	0	112.5	L255 L256 V258 H427 S444 F449 L458 P490	L255-V447 HydrophobicContact CD2-CG2 4.08Å; L255-V447 HydrophobicContact CG-CG2 4.45Å; L256-V447 HydrophobicContact CB-CG1 4.3Å; L256-V447 HydrophobicContact CD1-CG2 4.2Å; V258-V447 HydrophobicContact CB-CG1 3.83Å; V258-V447 HydrophobicContact CG2-CG1 3.66Å; H427-V447 PolarHBondContact ND1-O 3.19Å; S444-V447 PolarHBondContact OG-N 3.21Å; S444-V447 PolarHBondContact OG-O 3.22Å; V447-F449 HydrophobicContact CG2-CE1 4.48Å; V447-L458 HydrophobicContact CB-CD2 4.21Å; V447-L458 HydrophobicContact CG2-CD2 4.46Å; V447-P490 HydrophobicContact CG1-CB 4.15Å
448	Q	94.4	Very high	91.1	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144	-177.8	-53.8	-65.9	-58.4	0	0	109.6	H427 P443 S444 C446 D459 I461	H427-Q448 PolarHBondContact O-OE1 3.48Å; P443-Q448 VanDerWaalsContact CB-OE1 3.32Å; S444-Q448 PolarHBondContact O-NE2 2.84Å; S444-Q448 PolarHBondContact OG-NE2 3.29Å; C446-Q448 PolarHBondContact O-NE2 2.92Å; Q448-D459 HydrophobicContact CB-CB 4.02Å; Q448-D459 PolarHBondContact O-N 3.13Å; Q448-I461 HydrophobicContact CB-CD1 4.14Å; Q448-I461 HydrophobicContact CB-CG1 3.69Å; Q448-I461 HydrophobicContact CG-CD1 4.32Å; Q448-I461 HydrophobicContact CG-CG1 3.65Å; Q448-I461 VanDerWaalsContact CG-O 3.29Å; Q448-I461 WeakPolarHBondContact CG-O 3.43Å
449	F	91.5	Very high	90.8	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.1	174.8	-61.1	-36.5	0	0	0	110.4	W396 L397 I426 H427 Q428 V447 F456 L458 Y497	W396-F449 HydrophobicContact CH2-CB 4.42Å; W396-F449 AromaticContact CH2-CD1 3.78Å; W396-F449 HydrophobicContact CH2-CD1 3.78Å; W396-F449 AromaticContact CH2-CD2 3.6Å; W396-F449 HydrophobicContact CH2-CD2 3.6Å; W396-F449 AromaticContact CH2-CE1 3.9Å; W396-F449 HydrophobicContact CH2-CE1 3.9Å; W396-F449 AromaticContact CH2-CE2 3.72Å; W396-F449 HydrophobicContact CH2-CE2 3.72Å; W396-F449 AromaticContact CH2-CG 3.66Å; W396-F449 HydrophobicContact CH2-CG 3.66Å; W396-F449 AromaticContact CH2-CZ 3.87Å; W396-F449 HydrophobicContact CH2-CZ 3.87Å; W396-F449 HydrophobicContact CZ2-CB 4.05Å; W396-F449 HydrophobicContact CZ2-CD1 4.01Å; W396-F449 HydrophobicContact CZ2-CD2 4.07Å; W396-F449 AromaticContact CZ2-CG 3.77Å; W396-F449 HydrophobicContact CZ2-CG 3.77Å; L397-F449 HydrophobicContact CD1-CB 4.04Å; L397-F449 HydrophobicContact CD1-CD2 3.95Å; L397-F449 HydrophobicContact CD1-CG 4.33Å; L397-F449 HydrophobicContact CD2-CD2 3.78Å; L397-F449 HydrophobicContact CD2-CE2 4.01Å; L397-F449 HydrophobicContact CG-CD2 4.4Å; I426-F449 WeakPolarHBondContact O-CD2 3.22Å; H427-F449 HydrophobicContact CB-CB 4.46Å; H427-F449 HydrophobicContact CB-CD2 3.67Å; H427-F449 HydrophobicContact CB-CE2 3.97Å; H427-F449 HydrophobicContact CB-CG 4.05Å; H427-F449 AromaticContact CD2-CE2 3.75Å; H427-F449 AromaticContact CG-CD2 3.87Å; H427-F449 AromaticContact CG-CE2 3.62Å; H427-F449 AromaticContact ND1-CE2 3.91Å; H427-F449 AromaticContact ND1-CZ 3.86Å; H427-F449 PolarHBondContact O-N 3.34Å; Q428-F449 HydrophobicContact CG-CB 4.46Å; Q428-F449 WeakPolarHBondContact CG-O 3.27Å; V447-F449 HydrophobicContact CG2-CE1 4.48Å; F449-F456 AromaticContact CD1-CE2 3.98Å; F449-F456 HydrophobicContact CD1-CE2 3.98Å; F449-F456 AromaticContact CE1-CE2 3.59Å; F449-F456 HydrophobicContact CE1-CE2 3.59Å; F449-F456 HydrophobicContact CE1-CZ 4.17Å; F449-F456 HydrophobicContact CZ-CE2 4.35Å; F449-L458 HydrophobicContact CD1-CD2 3.84Å; F449-L458 HydrophobicContact CE1-CD2 3.88Å; F449-Y497 HydrophobicContact CE1-CD2 4.02Å; F449-Y497 HydrophobicContact CE1-CE2 4.29Å; F449-Y497 HydrophobicContact CZ-CD1 4.41Å; F449-Y497 AromaticContact CZ-CD2 3.62Å; F449-Y497 HydrophobicContact CZ-CD2 3.62Å; F449-Y497 HydrophobicContact CZ-CE1 4.38Å; F449-Y497 AromaticContact CZ-CE2 3.6Å; F449-Y497 HydrophobicContact CZ-CE2 3.6Å; F449-Y497 HydrophobicContact CZ-CG 4.05Å; F449-Y497 AromaticContact CZ-CZ 4Å
450	K	88.5	Confident	90.4	Very high	99 Å²	99	36.4 Å²	36.4	43%	0.43	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-75	125.9	180	-167.5	174.7	-178.5	176.4	0	109.8	C394 T457 D459	C394-K450 PolarHBondContact SG-O 3.09Å; C394-K450 VanDerWaalsContact SG-O 3.39Å; K450-T457 HydrophobicContact CB-CG2 3.86Å; K450-T457 HydrophobicContact CD-CG2 3.77Å; K450-T457 HydrophobicContact CG-CG2 4.46Å; K450-T457 PolarHBondContact N-O 3.22Å; K450-D459 HydrophobicContact CB-CB 4.16Å
451	P	85.1	Confident	90.2	Very high	50 Å²	50	39.4 Å²	39.4	33%	0.325	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	160.1	178.3	27.4	-34.7	0	0	0	111.8	C453	P451-C453 VanDerWaalsContact C-N 3.27Å; P451-C453 PolarHBondContact O-N 2.82Å; P451-C453 PolarHBondContact O-SG 3.28Å; P451-C453 VanDerWaalsContact O-SG 3.38Å
452	H	83	Confident	90.1	Very high	153 Å²	153	40.4 Å²	40.4	71%	0.708	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.2	173.7	-49	-52.5	0	0	0	115.3	C394	C394-H452 PolarHBondContact SG-N 3.07Å
453	C	80.9	Confident	90.1	Very high	24 Å²	24	40.4 Å²	40.4	16%	0.162	22%	0.224	C	C	.	.			trans	-111.3	131.1	178	-67.3	0	0	0	0	111.1	C394 P451 N455	C394-C453 VanDerWaalsContact CA-O 3.24Å; C394-C453 WeakPolarHBondContact CA-O 3.5Å; C394-C453 WeakPolarHBondContact CB-O 3.31Å; C394-C453 PolarHBondContact SG-N 2.93Å; P451-C453 VanDerWaalsContact C-N 3.27Å; P451-C453 PolarHBondContact O-N 2.82Å; P451-C453 PolarHBondContact O-SG 3.28Å; P451-C453 VanDerWaalsContact O-SG 3.38Å; C453-N455 VanDerWaalsContact C-N 3.34Å
454	S	79.9	Confident	90.1	Very high	85 Å²	85	40.4 Å²	40.4	59%	0.594	22%	0.224	S	C	*	.	S	Bend	trans	-70.6	-30.3	178.7	-55.5	0	0	0	0	113.2
455	N	82.5	Confident	90.1	Very high	125 Å²	125	41.3 Å²	41.3	67%	0.668	23%	0.227	S	C	*	.	S	Bend	trans	-111.3	158.5	179.8	-62.9	-18.3	0	0	0	110.5	W396 C453 T457	W396-N455 PolarHBondContact NE1-O 3.2Å; C453-N455 VanDerWaalsContact C-N 3.34Å; N455-T457 PolarHBondContact O-N 3.24Å; N455-T457 VanDerWaalsContact O-N 3.11Å; N455-T457 PolarHBondContact O-OG1 3.42Å
456	F	83.3	Confident	90.2	Very high	30 Å²	30	41.4 Å²	41.4	13%	0.132	23%	0.228	C	C	.	.			trans	-48.3	119.3	171.6	179.6	-101	0	0	0	110.4	L256 W396 F449 L458 S494 G496 Y497	L256-F456 HydrophobicContact CD1-CZ 3.7Å; L256-F456 HydrophobicContact CD2-CZ 4.43Å; W396-F456 HydrophobicContact CD2-CB 4.33Å; W396-F456 HydrophobicContact CD2-CD2 4.25Å; W396-F456 HydrophobicContact CE3-CD2 4.03Å; W396-F456 AromaticContact CH2-CD2 3.36Å; W396-F456 HydrophobicContact CH2-CD2 3.36Å; W396-F456 AromaticContact CH2-CE2 3.64Å; W396-F456 HydrophobicContact CH2-CE2 3.64Å; W396-F456 AromaticContact CZ2-CD2 3.59Å; W396-F456 HydrophobicContact CZ2-CD2 3.59Å; W396-F456 HydrophobicContact CZ2-CE2 4.1Å; W396-F456 AromaticContact CZ3-CD2 3.61Å; W396-F456 HydrophobicContact CZ3-CD2 3.61Å; W396-F456 HydrophobicContact CZ3-CE2 4.12Å; F449-F456 AromaticContact CD1-CE2 3.98Å; F449-F456 HydrophobicContact CD1-CE2 3.98Å; F449-F456 AromaticContact CE1-CE2 3.59Å; F449-F456 HydrophobicContact CE1-CE2 3.59Å; F449-F456 HydrophobicContact CE1-CZ 4.17Å; F449-F456 HydrophobicContact CZ-CE2 4.35Å; F456-L458 HydrophobicContact CE1-CD1 3.95Å; F456-L458 HydrophobicContact CE1-CD2 4.42Å; F456-L458 HydrophobicContact CE1-CG 3.9Å; F456-L458 HydrophobicContact CE2-CD2 4.41Å; F456-L458 HydrophobicContact CZ-CD1 4.02Å; F456-L458 HydrophobicContact CZ-CD2 3.75Å; F456-L458 HydrophobicContact CZ-CG 3.73Å; F456-S494 WeakPolarHBondContact CD1-O 3.46Å; F456-G496 WeakPolarHBondContact CE1-O 3.44Å; F456-Y497 HydrophobicContact CE2-CD2 4.38Å; F456-Y497 HydrophobicContact CE2-CG 4.27Å
457	T	86	Confident	90.4	Very high	48 Å²	48	42.5 Å²	42.5	29%	0.294	23%	0.234	S	C	.	.			trans	-146.8	123.6	-177.7	-54.5	0	0	0	0	108.8	K450 N455	K450-T457 HydrophobicContact CB-CG2 3.86Å; K450-T457 HydrophobicContact CD-CG2 3.77Å; K450-T457 HydrophobicContact CG-CG2 4.46Å; K450-T457 PolarHBondContact N-O 3.22Å; N455-T457 PolarHBondContact O-N 3.24Å; N455-T457 VanDerWaalsContact O-N 3.11Å; N455-T457 PolarHBondContact O-OG1 3.42Å
458	L	88.4	Confident	90.5	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.068	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.3	175.9	-66.6	160.2	0	0	0	110.2	L256 V447 F449 F456 P490 D491	L256-L458 HydrophobicContact CB-CD1 4.02Å; L256-L458 HydrophobicContact CD1-CD1 3.9Å; L256-L458 HydrophobicContact CD1-CD2 3.64Å; L256-L458 HydrophobicContact CD1-CG 4.32Å; L256-L458 HydrophobicContact CG-CD1 4.39Å; V447-L458 HydrophobicContact CB-CD2 4.21Å; V447-L458 HydrophobicContact CG2-CD2 4.46Å; F449-L458 HydrophobicContact CD1-CD2 3.84Å; F449-L458 HydrophobicContact CE1-CD2 3.88Å; F456-L458 HydrophobicContact CE1-CD1 3.95Å; F456-L458 HydrophobicContact CE1-CD2 4.42Å; F456-L458 HydrophobicContact CE1-CG 3.9Å; F456-L458 HydrophobicContact CE2-CD2 4.41Å; F456-L458 HydrophobicContact CZ-CD1 4.02Å; F456-L458 HydrophobicContact CZ-CD2 3.75Å; F456-L458 HydrophobicContact CZ-CG 3.73Å; L458-P490 HydrophobicContact CB-CB 4.2Å; L458-P490 HydrophobicContact CB-CG 3.99Å; L458-P490 HydrophobicContact CD1-CB 3.95Å; L458-P490 HydrophobicContact CD2-CB 4.48Å; L458-P490 HydrophobicContact CG-CB 4.42Å; L458-D491 WeakPolarHBondContact CD1-O 3.45Å
459	D	90.3	Very high	90.6	Very high	28 Å²	28	44 Å²	44	15%	0.15	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	156.4	170.6	-150.4	-24.6	0	0	0	110.3	Q448 K450 I461 P490	Q448-D459 HydrophobicContact CB-CB 4.02Å; Q448-D459 PolarHBondContact O-N 3.13Å; K450-D459 HydrophobicContact CB-CB 4.16Å; D459-I461 HydrophobicContact CB-CD1 4.44Å; D459-I461 HydrophobicContact CB-CG1 4.2Å; D459-P490 VanDerWaalsContact O-CG 3.26Å; D459-P490 WeakPolarHBondContact O-CG 3.46Å
460	T	89.8	Confident	90.8	Very high	102 Å²	102	44 Å²	44	63%	0.626	24%	0.241	S	C	*	.			trans	-97.5	-0.4	178.4	57	0	0	0	0	112.6	T492	T460-T492 HydrophobicContact CG2-CG2 4.27Å
461	I	93.7	Very high	91.1	Very high	62 Å²	62	41.7 Å²	41.7	32%	0.318	23%	0.232	S	C	.	.	S	Bend	trans	-65	144.1	175.7	72.6	-171.2	0	0	0	110.1	Q448 D459 R482	Q448-I461 HydrophobicContact CB-CD1 4.14Å; Q448-I461 HydrophobicContact CB-CG1 3.69Å; Q448-I461 HydrophobicContact CG-CD1 4.32Å; Q448-I461 HydrophobicContact CG-CG1 3.65Å; Q448-I461 VanDerWaalsContact CG-O 3.29Å; Q448-I461 WeakPolarHBondContact CG-O 3.43Å; D459-I461 HydrophobicContact CB-CD1 4.44Å; D459-I461 HydrophobicContact CB-CG1 4.2Å; I461-R482 VanDerWaalsContact CD1-CZ 3.48Å
462	A	95.7	Very high	91.4	Very high	22 Å²	22	41.5 Å²	41.5	18%	0.182	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-67.1	154.4	-174.5	0	0	0	0	0	112.5	R482 L483	A462-R482 HydrophobicContact CB-CB 4.43Å; A462-R482 PolarHBondContact O-NH1 2.83Å; A462-L483 HydrophobicContact CB-CB 4.29Å; A462-L483 WeakPolarHBondContact CB-O 3.48Å
463	P	97.5	Very high	91.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-51.1	151.2	170.5	-23	30	0	0	0	112.5	S263 V267 C446 R482 L483 F488	S263-P463 VanDerWaalsContact OG-CG 3.25Å; S263-P463 WeakPolarHBondContact OG-CG 3.43Å; V267-P463 HydrophobicContact CG2-CB 4.23Å; C446-P463 WeakPolarHBondContact O-CG 3.29Å; P463-R482 VanDerWaalsContact O-CA 3.32Å; P463-R482 WeakPolarHBondContact O-CA 3.49Å; P463-L483 HydrophobicContact CB-CD1 4.04Å; P463-L483 HydrophobicContact CB-CG 4.49Å; P463-L483 HydrophobicContact CG-CD1 4.13Å; P463-L483 PolarHBondContact O-N 2.83Å; P463-F488 HydrophobicContact CG-CB 3.73Å; P463-F488 HydrophobicContact CG-CD2 4.11Å; P463-F488 HydrophobicContact CG-CG 4.12Å
464	G	97.7	Very high	92.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	-179.2	-174	0	0	0	0	0	115.2	S444 H481	S444-G464 CarbonylContact C-O 3.58Å; S444-G464 PolarHBondContact O-N 2.94Å; G464-H481 CarbonylContact C-O 3.59Å; G464-H481 WeakPolarHBondContact CA-O 3.36Å
465	W	98.2	Very high	93.1	Very high	19 Å²	19	36.9 Å²	36.9	7%	0.072	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	170.2	175.8	64.8	95.9	0	0	0	109.1	L240 V267 A270 I271 H481 L483	L240-W465 VanDerWaalsContact CD1-CD1 3.5Å; L240-W465 HydrophobicContact CD1-CG 4.24Å; V267-W465 HydrophobicContact CB-CE3 4.42Å; V267-W465 HydrophobicContact CG1-CB 4.38Å; V267-W465 HydrophobicContact CG1-CD2 4.16Å; V267-W465 HydrophobicContact CG1-CE3 3.66Å; V267-W465 HydrophobicContact CG1-CZ3 4.32Å; V267-W465 HydrophobicContact CG2-CE3 4.26Å; V267-W465 HydrophobicContact CG2-CZ3 4.49Å; A270-W465 HydrophobicContact CB-CH2 3.63Å; A270-W465 HydrophobicContact CB-CZ2 4.38Å; A270-W465 HydrophobicContact CB-CZ3 4.16Å; I271-W465 HydrophobicContact CD1-CB 4.38Å; I271-W465 HydrophobicContact CD1-CD2 3.86Å; I271-W465 HydrophobicContact CD1-CE3 4.45Å; I271-W465 HydrophobicContact CD1-CG 3.82Å; I271-W465 HydrophobicContact CG1-CD2 3.79Å; I271-W465 VanDerWaalsContact CG1-CE2 3.41Å; I271-W465 HydrophobicContact CG1-CE3 4.42Å; I271-W465 HydrophobicContact CG1-CG 4.12Å; I271-W465 HydrophobicContact CG1-CH2 4.44Å; I271-W465 HydrophobicContact CG1-CZ2 3.78Å; W465-H481 HydrophobicContact CD2-CB 3.71Å; W465-H481 AromaticContact CE2-CG 3.83Å; W465-H481 HydrophobicContact CE3-CB 4.22Å; W465-H481 HydrophobicContact CG-CB 4.26Å; W465-H481 HydrophobicContact CH2-CB 3.86Å; W465-H481 HydrophobicContact CZ2-CB 3.32Å; W465-H481 AromaticContact CZ2-CG 3.98Å; W465-H481 HydrophobicContact CZ3-CB 4.28Å; W465-H481 PolarHBondContact N-O 3Å; W465-H481 AromaticContact NE1-CD2 3.63Å; W465-H481 AromaticContact NE1-CG 3.6Å; W465-H481 PolarHBondContact O-N 3.48Å; W465-L483 HydrophobicContact CZ3-CD2 4.06Å; W465-L483 HydrophobicContact CZ3-CG 4.37Å
466	R	98.6	Very high	93.8	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.4	177.9	-179.1	-179	-71.6	-88.9	5.8	111	Q241 L430 A441 T442 L468 T478 E479 V480	Q241-R466 HydrophobicContact CB-CB 4.36Å; Q241-R466 PolarHBondContact N-O 2.92Å; Q241-R466 PolarHBondContact O-N 2.98Å; L430-R466 PolarHBondContact O-NH2 3.26Å; A441-R466 PolarHBondContact O-NH2 3.01Å; T442-R466 HydrophobicContact CG2-CB 3.53Å; T442-R466 WeakPolarHBondContact OG1-CB 3.48Å; T442-R466 VanDerWaalsContact OG1-CD 3.23Å; T442-R466 WeakPolarHBondContact OG1-CD 3.37Å; T442-R466 PolarHBondContact OG1-NE 3.46Å; R466-L468 HydrophobicContact CG-CD1 4.26Å; R466-L468 HydrophobicContact CG-CG 4.38Å; R466-T478 WeakPolarHBondContact CD-OG1 3.47Å; R466-T478 WeakPolarHBondContact CG-OG1 3.43Å; R466-T478 VanDerWaalsContact NH1-CG2 3.29Å; R466-T478 PolarHBondContact NH1-OG1 2.92Å; R466-E479 WeakPolarHBondContact CA-O 3.33Å; R466-V480 HydrophobicContact CB-CG2 4.36Å; R466-V480 HydrophobicContact CG-CG2 4.36Å; R466-V480 VanDerWaalsContact CZ-CG2 3.42Å
467	T	98.4	Very high	94.5	Very high	24 Å²	24	33 Å²	33	15%	0.147	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.5	167.8	57.2	0	0	0	0	109.8	I239 L240 F278 T478 E479 H481	I239-T467 CarbonylContact O-C 3.55Å; I239-T467 WeakPolarHBondContact O-CA 3.41Å; L240-T467 HydrophobicContact CD1-CG2 4.35Å; F278-T467 HydrophobicContact CE1-CG2 3.61Å; F278-T467 HydrophobicContact CZ-CG2 3.96Å; T467-T478 CarbonylContact O-C 3.59Å; T467-T478 WeakPolarHBondContact O-CA 3.45Å; T467-T478 WeakPolarHBondContact O-CB 3.41Å; T467-T478 PolarHBondContact O-OG1 3.11Å; T467-E479 PolarHBondContact N-O 3.39Å; T467-E479 PolarHBondContact O-N 2.98Å; T467-E479 PolarHBondContact OG1-O 2.91Å; T467-H481 PolarHBondContact OG1-NE2 3.37Å; T467-H481 VanDerWaalsContact OG1-NE2 3.07Å
468	L	98.2	Very high	95.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.3	175.4	-49	90.9	0	0	0	109.3	R238 I239 Q241 L382 L422 L440 R466 L476 T477	R238-L468 CarbonylContact C-O 3.59Å; R238-L468 WeakPolarHBondContact CA-O 3.48Å; I239-L468 HydrophobicContact CB-CB 4.31Å; I239-L468 HydrophobicContact CB-CD1 4.23Å; I239-L468 HydrophobicContact CG2-CD1 4.2Å; I239-L468 PolarHBondContact N-O 3.5Å; I239-L468 PolarHBondContact O-N 3.23Å; Q241-L468 HydrophobicContact CB-CD1 4.31Å; L382-L468 HydrophobicContact CD2-CD2 4.39Å; L422-L468 HydrophobicContact CD1-CD2 4.03Å; L422-L468 HydrophobicContact CD2-CD1 3.96Å; L422-L468 HydrophobicContact CD2-CD2 3.95Å; L440-L468 HydrophobicContact CD1-CD2 4.07Å; R466-L468 HydrophobicContact CG-CD1 4.26Å; R466-L468 HydrophobicContact CG-CG 4.38Å; L468-L476 HydrophobicContact CD2-CD1 3.91Å; L468-L476 HydrophobicContact CD2-CD2 4.17Å; L468-L476 HydrophobicContact CD2-CG 4.46Å; L468-T477 CarbonylContact C-O 3.53Å; L468-T477 WeakPolarHBondContact CA-O 3.48Å
469	E	96.3	Very high	95.6	Very high	34 Å²	34	37.2 Å²	37.2	16%	0.159	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.2	165.5	-37.6	-165	155.2	0	0	109.4	R236 V237 R238 H471 L476 T477	R236-E469 IonicContact NH1-OE1 3.09Å; R236-E469 PolarHBondContact NH1-OE1 3.48Å; R236-E469 IonicContact NH1-OE2 3.64Å; R236-E469 PolarHBondContact NH1-OE2 3.41Å; V237-E469 CarbonylContact O-C 3.53Å; V237-E469 VanDerWaalsContact O-CA 3.27Å; V237-E469 WeakPolarHBondContact O-CA 3.46Å; R238-E469 HydrophobicContact CG-CG 4.06Å; R238-E469 IonicContact CZ-OE1 3.88Å; R238-E469 IonicContact NE-OE1 3.76Å; R238-E469 PolarHBondContact NE-OE1 2.79Å; R238-E469 IonicContact NH2-OE1 2.94Å; R238-E469 PolarHBondContact NH2-OE1 2.94Å; E469-H471 IonicContact OE2-CE1 3.41Å; E469-L476 WeakPolarHBondContact O-CA 3.35Å; E469-T477 WeakPolarHBondContact CB-OG1 3.44Å; E469-T477 PolarHBondContact N-O 3.3Å; E469-T477 PolarHBondContact O-N 3.06Å
470	L	95.8	Very high	96	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124	172.4	-53.7	-173.7	0	0	0	109.2	R236 V237 I239 I340 W344 L382 L476	R236-L470 WeakPolarHBondContact CA-O 3.27Å; V237-L470 HydrophobicContact CB-CB 4.35Å; V237-L470 PolarHBondContact N-O 3.46Å; V237-L470 VanDerWaalsContact N-O 3.1Å; V237-L470 PolarHBondContact O-N 3.25Å; I239-L470 HydrophobicContact CD1-CD1 3.63Å; I239-L470 HydrophobicContact CD1-CD2 4.39Å; I239-L470 HydrophobicContact CD1-CG 3.88Å; I340-L470 HydrophobicContact CD1-CD1 3.73Å; W344-L470 HydrophobicContact CB-CD1 4.42Å; W344-L470 HydrophobicContact CD2-CB 4.19Å; W344-L470 HydrophobicContact CD2-CD1 3.92Å; W344-L470 HydrophobicContact CD2-CG 4.46Å; W344-L470 HydrophobicContact CE3-CD1 3.99Å; W344-L470 HydrophobicContact CE3-CD2 4.38Å; W344-L470 HydrophobicContact CG-CB 4.41Å; W344-L470 HydrophobicContact CG-CD1 4.13Å; W344-L470 HydrophobicContact CH2-CD2 4.03Å; W344-L470 HydrophobicContact CZ2-CB 4.18Å; W344-L470 HydrophobicContact CZ2-CD2 4.2Å; W344-L470 HydrophobicContact CZ3-CD2 4.13Å; L382-L470 HydrophobicContact CD2-CD2 4.38Å; L470-L476 HydrophobicContact CD2-CB 4.38Å; L470-L476 HydrophobicContact CD2-CD1 3.56Å; L470-L476 HydrophobicContact CD2-CG 3.94Å
471	H	94.6	Very high	96.3	Very high	50 Å²	50	34.6 Å²	34.6	23%	0.231	19%	0.192	C	C	.	.			trans	-100.6	150.4	179.7	-61	-79	0	0	0	110.9	W344 E469 D473 G474 T475 T477	W344-H471 PolarHBondContact NE1-O 2.95Å; E469-H471 IonicContact OE2-CE1 3.41Å; H471-D473 VanDerWaalsContact CB-OD1 3.31Å; H471-D473 WeakPolarHBondContact CB-OD1 3.14Å; H471-D473 PolarHBondContact O-N 2.8Å; H471-D473 VanDerWaalsContact O-N 3.1Å; H471-G474 PolarHBondContact O-N 3.11Å; H471-T475 WeakPolarHBondContact CB-OG1 3.26Å; H471-T475 PolarHBondContact CD2-O 2.99Å; H471-T475 PolarHBondContact N-O 3.05Å; H471-T477 PolarHBondContact NE2-OG1 3.13Å
472	A	89.8	Confident	96.5	Very high	47 Å²	47	35.2 Å²	35.2	39%	0.388	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.3	-175.3	0	0	0	0	0	114.2	G474	A472-G474 PolarHBondContact O-N 2.85Å
473	D	91.5	Very high	96.6	Very high	105 Å²	105	34.9 Å²	34.9	56%	0.561	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	2.7	178.1	70.1	-11.1	0	0	0	114	H471 T475	H471-D473 VanDerWaalsContact CB-OD1 3.31Å; H471-D473 WeakPolarHBondContact CB-OD1 3.14Å; H471-D473 PolarHBondContact O-N 2.8Å; H471-D473 VanDerWaalsContact O-N 3.1Å; D473-T475 VanDerWaalsContact C-N 3.35Å; D473-T475 WeakPolarHBondContact OD1-CB 3.32Å; D473-T475 WeakPolarHBondContact OD1-CG2 3.35Å; D473-T475 PolarHBondContact OD1-N 3.22Å; D473-T475 PolarHBondContact OD1-OG1 3.25Å; D473-T475 WeakPolarHBondContact OD2-CG2 3.45Å; D473-T475 PolarHBondContact OD2-OG1 3.03Å
474	G	93.4	Very high	96.3	Very high	1 Å²	1	40 Å²	40	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	83.7	9	-178.6	0	0	0	0	0	114.4	W344 H380 Y420 H471 A472	W344-G474 VanDerWaalsContact CZ2-C 3.45Å; W344-G474 VanDerWaalsContact CZ2-CA 3.44Å; H380-G474 WeakPolarHBondContact CD2-CA 3.41Å; H380-G474 WeakPolarHBondContact NE2-CA 3.35Å; H380-G474 PolarHBondContact NE2-N 3Å; Y420-G474 VanDerWaalsContact CE2-O 3.31Å; Y420-G474 WeakPolarHBondContact CE2-O 3.46Å; Y420-G474 PolarHBondContact OH-O 2.89Å; H471-G474 PolarHBondContact O-N 3.11Å; A472-G474 PolarHBondContact O-N 2.85Å
475	T	96.1	Very high	95.5	Very high	59 Å²	59	42.1 Å²	42.1	36%	0.362	24%	0.239	S	C	.	.			trans	-85.2	156.1	170.8	65.7	0	0	0	0	111.7	Y420 H471 D473	Y420-T475 WeakPolarHBondContact OH-CA 3.37Å; H471-T475 WeakPolarHBondContact CB-OG1 3.26Å; H471-T475 PolarHBondContact CD2-O 2.99Å; H471-T475 PolarHBondContact N-O 3.05Å; D473-T475 VanDerWaalsContact C-N 3.35Å; D473-T475 WeakPolarHBondContact OD1-CB 3.32Å; D473-T475 WeakPolarHBondContact OD1-CG2 3.35Å; D473-T475 PolarHBondContact OD1-N 3.22Å; D473-T475 PolarHBondContact OD1-OG1 3.25Å; D473-T475 WeakPolarHBondContact OD2-CG2 3.45Å; D473-T475 PolarHBondContact OD2-OG1 3.03Å
476	L	97.1	Very high	94.7	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.2	180	-177.7	157.9	0	0	0	109.8	L382 Y420 R438 L440 L468 E469 L470 T478	L382-L476 HydrophobicContact CD1-CD1 4.01Å; L382-L476 HydrophobicContact CD2-CD1 4.48Å; Y420-L476 HydrophobicContact CD1-CB 3.94Å; Y420-L476 HydrophobicContact CD1-CD1 4.04Å; Y420-L476 HydrophobicContact CD1-CG 4.42Å; Y420-L476 HydrophobicContact CD2-CB 4.19Å; Y420-L476 HydrophobicContact CD2-CD1 4.22Å; Y420-L476 HydrophobicContact CE1-CB 3.66Å; Y420-L476 HydrophobicContact CE2-CB 3.91Å; Y420-L476 HydrophobicContact CG-CB 4.21Å; Y420-L476 HydrophobicContact CG-CD1 3.84Å; Y420-L476 PolarHBondContact OH-N 3.43Å; R438-L476 PolarHBondContact NH1-O 2.8Å; L440-L476 HydrophobicContact CD1-CD2 4.01Å; L468-L476 HydrophobicContact CD2-CD1 3.91Å; L468-L476 HydrophobicContact CD2-CD2 4.17Å; L468-L476 HydrophobicContact CD2-CG 4.46Å; E469-L476 WeakPolarHBondContact O-CA 3.35Å; L470-L476 HydrophobicContact CD2-CB 4.38Å; L470-L476 HydrophobicContact CD2-CD1 3.56Å; L470-L476 HydrophobicContact CD2-CG 3.94Å; L476-T478 HydrophobicContact CD2-CG2 4.16Å
477	T	97.9	Very high	94.2	Very high	66 Å²	66	54.7 Å²	54.7	41%	0.405	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.8	168.4	50.6	0	0	0	0	110	L468 E469 H471	L468-T477 CarbonylContact C-O 3.53Å; L468-T477 WeakPolarHBondContact CA-O 3.48Å; E469-T477 WeakPolarHBondContact CB-OG1 3.44Å; E469-T477 PolarHBondContact N-O 3.3Å; E469-T477 PolarHBondContact O-N 3.06Å; H471-T477 PolarHBondContact NE2-OG1 3.13Å
478	T	98.4	Very high	93.9	Very high	33 Å²	33	54.4 Å²	54.4	20%	0.202	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	151.8	-177	-177.8	0	0	0	0	111.2	L440 R466 T467 L476	L440-T478 HydrophobicContact CD1-CG2 4.05Å; L440-T478 HydrophobicContact CD2-CG2 4.1Å; R466-T478 WeakPolarHBondContact CD-OG1 3.47Å; R466-T478 WeakPolarHBondContact CG-OG1 3.43Å; R466-T478 VanDerWaalsContact NH1-CG2 3.29Å; R466-T478 PolarHBondContact NH1-OG1 2.92Å; T467-T478 CarbonylContact O-C 3.59Å; T467-T478 WeakPolarHBondContact O-CA 3.45Å; T467-T478 WeakPolarHBondContact O-CB 3.41Å; T467-T478 PolarHBondContact O-OG1 3.11Å; L476-T478 HydrophobicContact CD2-CG2 4.16Å
479	E	98.2	Very high	93.4	Very high	116 Å²	116	60.5 Å²	60.5	54%	0.542	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.7	177.3	-174.9	174.2	-160.2	0	0	109.2	R466 T467 H481	R466-E479 WeakPolarHBondContact CA-O 3.33Å; T467-E479 PolarHBondContact N-O 3.39Å; T467-E479 PolarHBondContact O-N 2.98Å; T467-E479 PolarHBondContact OG1-O 2.91Å; E479-H481 VanDerWaalsContact CD-CE1 3.4Å; E479-H481 IonicContact OE1-CE1 2.77Å; E479-H481 IonicContact OE2-CE1 2.65Å; E479-H481 PolarHBondContact OE2-CE1 3.29Å; E479-H481 VanDerWaalsContact OE2-CE1 3.31Å; E479-H481 IonicContact OE2-NE2 3.63Å
480	V	98.4	Very high	93.1	Very high	25 Å²	25	59.4 Å²	59.4	15%	0.152	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.2	170.5	168.3	0	0	0	0	108.8	E429 P443 R466	E429-V480 HydrophobicContact CB-CG2 4.38Å; E429-V480 HydrophobicContact CG-CB 4.47Å; E429-V480 HydrophobicContact CG-CG2 3.83Å; E429-V480 WeakPolarHBondContact OE1-CG2 3.38Å; P443-V480 HydrophobicContact CG-CG1 3.6Å; R466-V480 HydrophobicContact CB-CG2 4.36Å; R466-V480 HydrophobicContact CG-CG2 4.36Å; R466-V480 VanDerWaalsContact CZ-CG2 3.42Å
481	H	97.8	Very high	92.6	Very high	51 Å²	51	63.3 Å²	63.3	24%	0.236	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	150.1	177.8	-60.4	-91.5	0	0	0	109	G464 W465 T467 E479	G464-H481 CarbonylContact C-O 3.59Å; G464-H481 WeakPolarHBondContact CA-O 3.36Å; W465-H481 HydrophobicContact CD2-CB 3.71Å; W465-H481 AromaticContact CE2-CG 3.83Å; W465-H481 HydrophobicContact CE3-CB 4.22Å; W465-H481 HydrophobicContact CG-CB 4.26Å; W465-H481 HydrophobicContact CH2-CB 3.86Å; W465-H481 HydrophobicContact CZ2-CB 3.32Å; W465-H481 AromaticContact CZ2-CG 3.98Å; W465-H481 HydrophobicContact CZ3-CB 4.28Å; W465-H481 PolarHBondContact N-O 3Å; W465-H481 AromaticContact NE1-CD2 3.63Å; W465-H481 AromaticContact NE1-CG 3.6Å; W465-H481 PolarHBondContact O-N 3.48Å; T467-H481 PolarHBondContact OG1-NE2 3.37Å; T467-H481 VanDerWaalsContact OG1-NE2 3.07Å; E479-H481 VanDerWaalsContact CD-CE1 3.4Å; E479-H481 IonicContact OE1-CE1 2.77Å; E479-H481 IonicContact OE2-CE1 2.65Å; E479-H481 PolarHBondContact OE2-CE1 3.29Å; E479-H481 VanDerWaalsContact OE2-CE1 3.31Å; E479-H481 IonicContact OE2-NE2 3.63Å
482	R	97.4	Very high	92	Very high	74 Å²	74	65.7 Å²	65.7	28%	0.279	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.9	177.1	-65	-173	-177.8	-83.8	-3	110.3	I461 A462 P463 A484	I461-R482 VanDerWaalsContact CD1-CZ 3.48Å; A462-R482 HydrophobicContact CB-CB 4.43Å; A462-R482 PolarHBondContact O-NH1 2.83Å; P463-R482 VanDerWaalsContact O-CA 3.32Å; P463-R482 WeakPolarHBondContact O-CA 3.49Å; R482-A484 PolarHBondContact O-N 2.99Å
483	L	97.1	Very high	91.5	Very high	16 Å²	16	67.1 Å²	67.1	8%	0.084	37%	0.37	C	S	.	.			trans	-59.2	135.7	169.2	-69.6	-178.8	0	0	0	110.2	A266 V267 A270 A462 P463 W465 D485 F488	A266-L483 HydrophobicContact CB-CD1 3.74Å; A266-L483 HydrophobicContact CB-CD2 4.33Å; A266-L483 WeakPolarHBondContact O-CD2 3.41Å; V267-L483 HydrophobicContact CG2-CD1 3.88Å; V267-L483 HydrophobicContact CG2-CD2 4.24Å; V267-L483 HydrophobicContact CG2-CG 3.95Å; A270-L483 HydrophobicContact CB-CD2 3.71Å; A462-L483 HydrophobicContact CB-CB 4.29Å; A462-L483 WeakPolarHBondContact CB-O 3.48Å; P463-L483 HydrophobicContact CB-CD1 4.04Å; P463-L483 HydrophobicContact CB-CG 4.49Å; P463-L483 HydrophobicContact CG-CD1 4.13Å; P463-L483 PolarHBondContact O-N 2.83Å; W465-L483 HydrophobicContact CZ3-CD2 4.06Å; W465-L483 HydrophobicContact CZ3-CG 4.37Å; L483-D485 HydrophobicContact CB-CB 4.36Å; L483-D485 PolarHBondContact O-N 3.11Å; L483-F488 HydrophobicContact CD1-CD2 3.72Å; L483-F488 HydrophobicContact CD1-CE2 3.65Å
484	A	91.6	Very high	90.8	Very high	108 Å²	108	63.6 Å²	63.6	89%	0.893	35%	0.354	S	S	*	.	S	Bend	trans	-73.3	-13.8	168.3	0	0	0	0	0	112.2	R482	R482-A484 PolarHBondContact O-N 2.99Å
485	D	80.2	Confident	89.7	Confident	45 Å²	45	72.8 Å²	72.8	24%	0.241	40%	0.397	C	S	.	.			trans	-77.8	132.4	-177.1	-163.8	-24.4	0	0	0	111.8	L483 R487	L483-D485 HydrophobicContact CB-CB 4.36Å; L483-D485 PolarHBondContact O-N 3.11Å; D485-R487 VanDerWaalsContact CG-NE 3.35Å; D485-R487 VanDerWaalsContact OD1-CB 3.25Å; D485-R487 WeakPolarHBondContact OD1-CB 3.43Å; D485-R487 WeakPolarHBondContact OD1-CG 3.44Å; D485-R487 PolarHBondContact OD1-N 2.91Å; D485-R487 IonicContact OD1-NE 2.87Å; D485-R487 PolarHBondContact OD1-NE 2.88Å; D485-R487 IonicContact OD2-CZ 3.8Å; D485-R487 IonicContact OD2-NE 3.73Å; D485-R487 PolarHBondContact OD2-NE 2.82Å; D485-R487 IonicContact OD2-NH2 3.47Å; D485-R487 PolarHBondContact OD2-NH2 3.4Å
486	T	81.5	Confident	88.3	Confident	105 Å²	105	71.8 Å²	71.8	64%	0.644	40%	0.398	S	S	*	.			trans	-99.8	7.9	179.8	58.4	0	0	0	0	113.6	F488 Q489	T486-F488 VanDerWaalsContact C-N 3.33Å; T486-F488 PolarHBondContact O-N 3.35Å; T486-Q489 WeakPolarHBondContact O-CG 3.46Å; T486-Q489 PolarHBondContact O-NE2 3.32Å
487	R	89.3	Confident	86.7	Confident	179 Å²	179	75.6 Å²	75.6	68%	0.675	41%	0.413	S	S	*	.			trans	-68.7	-26.1	-179.9	-73	-178.4	-63.7	158.2	2.4	114.2	D485 Q489	D485-R487 VanDerWaalsContact CG-NE 3.35Å; D485-R487 VanDerWaalsContact OD1-CB 3.25Å; D485-R487 WeakPolarHBondContact OD1-CB 3.43Å; D485-R487 WeakPolarHBondContact OD1-CG 3.44Å; D485-R487 PolarHBondContact OD1-N 2.91Å; D485-R487 IonicContact OD1-NE 2.87Å; D485-R487 PolarHBondContact OD1-NE 2.88Å; D485-R487 IonicContact OD2-CZ 3.8Å; D485-R487 IonicContact OD2-NE 3.73Å; D485-R487 PolarHBondContact OD2-NE 2.82Å; D485-R487 IonicContact OD2-NH2 3.47Å; D485-R487 PolarHBondContact OD2-NH2 3.4Å; R487-Q489 VanDerWaalsContact C-N 3.31Å; R487-Q489 PolarHBondContact O-N 3.47Å; R487-Q489 VanDerWaalsContact O-N 3.11Å
488	F	91.8	Very high	86.2	Confident	19 Å²	19	76.1 Å²	76.1	8%	0.083	41%	0.413	C	S	.	.			trans	-89.8	62.6	-175.9	-54.8	-66.2	0	0	0	111.7	V258 E262 S263 A266 P463 L483 T486	V258-F488 HydrophobicContact CG1-CB 4.05Å; V258-F488 HydrophobicContact CG1-CD1 3.99Å; V258-F488 HydrophobicContact CG1-CG 4.44Å; E262-F488 HydrophobicContact CB-CE1 3.87Å; E262-F488 HydrophobicContact CB-CZ 4.38Å; E262-F488 WeakPolarHBondContact O-CZ 3.27Å; S263-F488 VanDerWaalsContact CA-CE1 3.42Å; S263-F488 VanDerWaalsContact N-CE1 3.32Å; A266-F488 HydrophobicContact CB-CE2 3.52Å; A266-F488 HydrophobicContact CB-CZ 3.64Å; P463-F488 HydrophobicContact CG-CB 3.73Å; P463-F488 HydrophobicContact CG-CD2 4.11Å; P463-F488 HydrophobicContact CG-CG 4.12Å; L483-F488 HydrophobicContact CD1-CD2 3.72Å; L483-F488 HydrophobicContact CD1-CE2 3.65Å; T486-F488 VanDerWaalsContact C-N 3.33Å; T486-F488 PolarHBondContact O-N 3.35Å
489	Q	88.4	Confident	85.5	Confident	128 Å²	128	78.4 Å²	78.4	60%	0.598	42%	0.424	S	S	*	.			trans	-89.9	126.5	175.6	-67.5	-178.3	17.6	0	0	110.4	T486 R487	T486-Q489 WeakPolarHBondContact O-CG 3.46Å; T486-Q489 PolarHBondContact O-NE2 3.32Å; R487-Q489 VanDerWaalsContact C-N 3.31Å; R487-Q489 PolarHBondContact O-N 3.47Å; R487-Q489 VanDerWaalsContact O-N 3.11Å
490	P	89	Confident	84.8	Confident	12 Å²	12	76.3 Å²	76.3	8%	0.078	42%	0.418	C	S	.	.			trans	-72.1	157.2	174.8	28.6	-31.8	0	0	0	112	L256 V258 V447 L458 D459 T492	L256-P490 CarbonylContact O-C 3.46Å; L256-P490 WeakPolarHBondContact O-CA 3.49Å; V258-P490 HydrophobicContact CG2-CB 4.26Å; V447-P490 HydrophobicContact CG1-CB 4.15Å; L458-P490 HydrophobicContact CB-CB 4.2Å; L458-P490 HydrophobicContact CB-CG 3.99Å; L458-P490 HydrophobicContact CD1-CB 3.95Å; L458-P490 HydrophobicContact CD2-CB 4.48Å; L458-P490 HydrophobicContact CG-CB 4.42Å; D459-P490 VanDerWaalsContact O-CG 3.26Å; D459-P490 WeakPolarHBondContact O-CG 3.46Å; P490-T492 PolarHBondContact O-N 2.97Å
491	D	86.1	Confident	84	Confident	84 Å²	84	79.3 Å²	79.3	45%	0.449	43%	0.433	S	S	.	.			trans	-71.8	93.4	166.8	-176.5	3.3	0	0	0	109.9	L256 L458 A493 S494	L256-D491 PolarHBondContact O-N 3.3Å; L458-D491 WeakPolarHBondContact CD1-O 3.45Å; D491-A493 PolarHBondContact O-N 3.5Å; D491-A493 WeakPolarHBondContact OD1-CB 3.37Å; D491-A493 PolarHBondContact OD1-N 3.45Å; D491-S494 WeakPolarHBondContact O-CB 3.24Å; D491-S494 PolarHBondContact O-N 3.38Å; D491-S494 PolarHBondContact O-OG 3.23Å
492	T	82	Confident	83.2	Confident	100 Å²	100	81.1 Å²	81.1	61%	0.613	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-8.6	179.4	57.1	0	0	0	0	114.3	T460 P490 S494	T460-T492 HydrophobicContact CG2-CG2 4.27Å; P490-T492 PolarHBondContact O-N 2.97Å; T492-S494 VanDerWaalsContact C-N 3.34Å
493	A	79.3	Confident	82.2	Confident	76 Å²	76	81.5 Å²	81.5	63%	0.628	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-5.6	174.1	0	0	0	0	0	113.6	D491 E495	D491-A493 PolarHBondContact O-N 3.5Å; D491-A493 WeakPolarHBondContact OD1-CB 3.37Å; D491-A493 PolarHBondContact OD1-N 3.45Å; A493-E495 PolarHBondContact O-N 3.18Å
494	S	76.5	Confident	81.2	Confident	32 Å²	32	86.2 Å²	86.2	22%	0.224	48%	0.483	C	S	.	.			trans	-65.6	127.5	179.6	-56.2	0	0	0	0	111.6	F456 D491 T492	F456-S494 WeakPolarHBondContact CD1-O 3.46Å; D491-S494 WeakPolarHBondContact O-CB 3.24Å; D491-S494 PolarHBondContact O-N 3.38Å; D491-S494 PolarHBondContact O-OG 3.23Å; T492-S494 VanDerWaalsContact C-N 3.34Å
495	E	69.4	Low	80.4	Confident	193 Å²	193	84.5 Å²	84.5	90%	0.902	45%	0.452	S	S	*	.			trans	-89.9	-1.7	-177.9	-64.8	-169.2	161.2	0	0	114.1	A493	A493-E495 PolarHBondContact O-N 3.18Å
496	G	67	Low	80.4	Confident	38 Å²	38	87.8 Å²	87.8	39%	0.392	47%	0.469	S	S	.	.			trans	-162.3	168.9	-177.7	0	0	0	0	0	113.6	L256 F456	L256-G496 VanDerWaalsContact CD2-O 3.28Å; L256-G496 WeakPolarHBondContact CD2-O 3.35Å; F456-G496 WeakPolarHBondContact CE1-O 3.44Å
497	Y	64.3	Low	80.3	Confident	88 Å²	88	86.3 Å²	86.3	35%	0.345	45%	0.453	S	S	.	.			trans	-108.8	0	178.7	-176.7	-120.5	0	0	0	110.6	H246 L255 L256 H317 F449 F456	H246-Y497 PolarHBondContact CE1-OH 2.75Å; H246-Y497 PolarHBondContact NE2-OH 3.18Å; L255-Y497 HydrophobicContact CD1-CE2 4.35Å; L255-Y497 HydrophobicContact CD2-CE2 4.14Å; L256-Y497 HydrophobicContact CD1-CD2 3.99Å; H317-Y497 AromaticContact CE1-CE1 3.68Å; H317-Y497 AromaticContact CE1-CZ 3.93Å; H317-Y497 AromaticContact NE2-CE1 3.26Å; H317-Y497 VanDerWaalsContact NE2-CE1 3.26Å; H317-Y497 WeakPolarHBondContact NE2-CE1 3.48Å; H317-Y497 AromaticContact NE2-CZ 3.7Å; H317-Y497 PolarHBondContact NE2-OH 3.23Å; F449-Y497 HydrophobicContact CE1-CD2 4.02Å; F449-Y497 HydrophobicContact CE1-CE2 4.29Å; F449-Y497 HydrophobicContact CZ-CD1 4.41Å; F449-Y497 AromaticContact CZ-CD2 3.62Å; F449-Y497 HydrophobicContact CZ-CD2 3.62Å; F449-Y497 HydrophobicContact CZ-CE1 4.38Å; F449-Y497 AromaticContact CZ-CE2 3.6Å; F449-Y497 HydrophobicContact CZ-CE2 3.6Å; F449-Y497 HydrophobicContact CZ-CG 4.05Å; F449-Y497 AromaticContact CZ-CZ 4Å; F456-Y497 HydrophobicContact CE2-CD2 4.38Å; F456-Y497 HydrophobicContact CE2-CG 4.27Å

Retrieved 497 of 497 residues in 99.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).