A0A060X9A4_ONCMY Loading...

T-complex protein 1 subunit epsilon

Component of the chaperonin-containing T-complex (TRiC), a molecular chaperone complex that assists the folding of actin, tubulin and other proteins upon ATP hydrolysis. The TRiC complex mediates the folding of WRAP53/TCAB1, thereby regulating telomere maintenance. As part of the TRiC complex may play a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia.

AlphaFold DB (A0A673ZRP7), UniProt , Accession A0A060X9A4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 541 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	38.2	Very low	59.7	Low	246 Å²	246	117.8 Å²	117.8	100%	1.212	64%	0.64	S	S	*	*				0	117.7	0	-71.8	179	-134	0	0	107.7	A3	M1-A3 PolarHBondContact O-N 2.8Å
2	S	36.1	Very low	61	Low	110 Å²	110	123.4 Å²	123.4	77%	0.769	65%	0.647	S	S	*	*			trans	-64.1	121.7	177.4	49.1	0	0	0	0	109.5	M4	S2-M4 PolarHBondContact O-N 3.28Å
3	A	44.3	Very low	62.2	Low	65 Å²	65	117.8 Å²	117.8	54%	0.537	64%	0.637	S	S	.	*			trans	-57.8	107.6	170.4	0	0	0	0	0	108.4	M1 G5	M1-A3 PolarHBondContact O-N 2.8Å; A3-G5 PolarHBondContact O-N 2.99Å
4	M	46.7	Very low	63.2	Low	177 Å²	177	122.4 Å²	122.4	87%	0.872	64%	0.641	S	S	*	*			trans	-67.5	98.7	174.1	-85.4	-176	156.4	0	0	108	S2 Q6	S2-M4 PolarHBondContact O-N 3.28Å; M4-Q6 PolarHBondContact O-N 3.49Å
5	G	57	Low	63.8	Low	38 Å²	38	120.3 Å²	120.3	39%	0.392	64%	0.637	S	S	.	*			trans	-67	126.4	167.2	0	0	0	0	0	109.3	A3 I18	A3-G5 PolarHBondContact O-N 2.99Å; G5-I18 WeakPolarHBondContact CA-O 3.39Å
6	Q	64.3	Low	64.3	Low	135 Å²	135	119 Å²	119	63%	0.631	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.4	119.8	176.7	-142.3	172.2	-0.7	0	0	107.9	M4 A8 I18	M4-Q6 PolarHBondContact O-N 3.49Å; Q6-A8 PolarHBondContact O-N 3.22Å; Q6-I18 PolarHBondContact N-O 3.21Å; Q6-I18 PolarHBondContact O-N 2.86Å
7	L	66.3	Low	64.9	Low	107 Å²	107	118.2 Å²	118.2	56%	0.56	62%	0.619	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.1	113.1	179.6	-149.2	125.1	0	0	0	108.2	F9 P15 I17	L7-F9 HydrophobicContact CD2-CE1 4.3Å; L7-F9 HydrophobicContact CD2-CE2 3.87Å; L7-F9 HydrophobicContact CD2-CZ 3.59Å; L7-P15 HydrophobicContact CD2-CB 4.05Å; L7-I17 HydrophobicContact CD1-CD1 4.48Å; L7-I17 HydrophobicContact CD1-CG1 4.12Å; L7-I17 HydrophobicContact CG-CG1 4.47Å
8	A	73.4	Confident	64.6	Low	26 Å²	26	116 Å²	116	22%	0.215	61%	0.607	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	158.3	179.8	0	0	0	0	0	110.2	Q6 P15 F16 I18	Q6-A8 PolarHBondContact O-N 3.22Å; A8-P15 CarbonylContact O-C 3.58Å; A8-P15 WeakPolarHBondContact O-CA 3.36Å; A8-F16 HydrophobicContact CB-CD2 4.47Å; A8-F16 HydrophobicContact CB-CE1 4.35Å; A8-F16 HydrophobicContact CB-CE2 4Å; A8-F16 HydrophobicContact CB-CZ 3.93Å; A8-F16 PolarHBondContact N-O 2.76Å; A8-F16 PolarHBondContact O-N 3.17Å; A8-I18 HydrophobicContact CB-CD1 3.71Å; A8-I18 HydrophobicContact CB-CG1 4.14Å
9	F	80.2	Confident	64.6	Low	129 Å²	129	113.2 Å²	113.2	57%	0.566	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.8	136.4	180	-62.9	-93	0	0	0	109.3	L7 R14 P15	L7-F9 HydrophobicContact CD2-CE1 4.3Å; L7-F9 HydrophobicContact CD2-CE2 3.87Å; L7-F9 HydrophobicContact CD2-CZ 3.59Å; F9-R14 WeakPolarHBondContact CA-O 3.49Å; F9-P15 HydrophobicContact CD1-CB 3.95Å; F9-P15 HydrophobicContact CE1-CB 3.68Å; F9-P15 HydrophobicContact CE1-CG 4.35Å; F9-P15 HydrophobicContact CZ-CB 4.39Å
10	D	76.8	Confident	64.3	Low	80 Å²	80	116.7 Å²	116.7	43%	0.428	60%	0.602	S	S	.	*			trans	-73.1	169.6	173.7	-168.7	15.1	0	0	0	111.1	Y12 G13 R14 F16	D10-Y12 PolarHBondContact O-N 3.24Å; D10-G13 PolarHBondContact O-N 3.47Å; D10-R14 PolarHBondContact N-O 3.01Å; D10-R14 VanDerWaalsContact N-O 3.09Å; D10-F16 HydrophobicContact CB-CD1 4.41Å; D10-F16 HydrophobicContact CB-CE1 4.05Å
11	E	73.8	Confident	63.9	Low	183 Å²	183	115 Å²	115	86%	0.855	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-20.6	178.1	-66.6	-173.4	164.5	0	0	113
12	Y	75.4	Confident	64.6	Low	185 Å²	185	109.1 Å²	109.1	73%	0.725	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	11.4	175.6	-57.6	-80.9	0	0	0	114.4	D10 R14	D10-Y12 PolarHBondContact O-N 3.24Å; Y12-R14 VanDerWaalsContact C-N 3.31Å; Y12-R14 PolarHBondContact O-N 3.31Å
13	G	75.6	Confident	65.6	Low	50 Å²	50	112.2 Å²	112.2	52%	0.515	57%	0.572	S	S	.	*			trans	72.9	15.5	176.1	0	0	0	0	0	115.2	D10	D10-G13 PolarHBondContact O-N 3.47Å
14	R	76.5	Confident	66.2	Low	183 Å²	183	114 Å²	114	69%	0.691	57%	0.568	S	S	*	*			trans	-82.8	124.5	177.2	-65.7	-179	-178.1	177.4	1.4	110.1	F9 D10 Y12	F9-R14 WeakPolarHBondContact CA-O 3.49Å; D10-R14 PolarHBondContact N-O 3.01Å; D10-R14 VanDerWaalsContact N-O 3.09Å; Y12-R14 VanDerWaalsContact C-N 3.31Å; Y12-R14 PolarHBondContact O-N 3.31Å
15	P	71.7	Confident	66.9	Low	90 Å²	90	110.4 Å²	110.4	58%	0.584	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.2	178.8	27.4	-31.5	0	0	0	111.2	L7 A8 F9	L7-P15 HydrophobicContact CD2-CB 4.05Å; A8-P15 CarbonylContact O-C 3.58Å; A8-P15 WeakPolarHBondContact O-CA 3.36Å; F9-P15 HydrophobicContact CD1-CB 3.95Å; F9-P15 HydrophobicContact CE1-CB 3.68Å; F9-P15 HydrophobicContact CE1-CG 4.35Å; F9-P15 HydrophobicContact CZ-CB 4.39Å
16	F	71.9	Confident	67.4	Low	100 Å²	100	113 Å²	113	44%	0.439	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.6	150.5	165.8	63.6	-86.7	0	0	0	109.9	A8 D10 I18	A8-F16 HydrophobicContact CB-CD2 4.47Å; A8-F16 HydrophobicContact CB-CE1 4.35Å; A8-F16 HydrophobicContact CB-CE2 4Å; A8-F16 HydrophobicContact CB-CZ 3.93Å; A8-F16 PolarHBondContact N-O 2.76Å; A8-F16 PolarHBondContact O-N 3.17Å; D10-F16 HydrophobicContact CB-CD1 4.41Å; D10-F16 HydrophobicContact CB-CE1 4.05Å; F16-I18 HydrophobicContact CD2-CG1 3.91Å; F16-I18 HydrophobicContact CE2-CD1 3.77Å; F16-I18 HydrophobicContact CE2-CG1 3.61Å; F16-I18 HydrophobicContact CZ-CD1 4.5Å
17	I	74.4	Confident	68.1	Low	105 Å²	105	113.8 Å²	113.8	54%	0.538	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.6	118.1	-174.4	-58.6	174.2	0	0	0	108.3	L7 I19	L7-I17 HydrophobicContact CD1-CD1 4.48Å; L7-I17 HydrophobicContact CD1-CG1 4.12Å; L7-I17 HydrophobicContact CG-CG1 4.47Å; I17-I19 HydrophobicContact CG2-CG1 4.04Å
18	I	60.4	Low	68.8	Low	79 Å²	79	112.2 Å²	112.2	41%	0.405	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.9	173.8	-55.9	175.9	0	0	0	107.8	G5 Q6 A8 F16	G5-I18 WeakPolarHBondContact CA-O 3.39Å; Q6-I18 PolarHBondContact N-O 3.21Å; Q6-I18 PolarHBondContact O-N 2.86Å; A8-I18 HydrophobicContact CB-CD1 3.71Å; A8-I18 HydrophobicContact CB-CG1 4.14Å; F16-I18 HydrophobicContact CD2-CG1 3.91Å; F16-I18 HydrophobicContact CE2-CD1 3.77Å; F16-I18 HydrophobicContact CE2-CG1 3.61Å; F16-I18 HydrophobicContact CZ-CD1 4.5Å
19	I	65.2	Low	69.2	Low	63 Å²	63	114 Å²	114	32%	0.323	56%	0.555	S	S	.	*			trans	-95	109.2	173	-57.4	176.6	0	0	0	107.3	I17 D21 Q22	I17-I19 HydrophobicContact CG2-CG1 4.04Å; I19-D21 PolarHBondContact O-N 2.69Å; I19-Q22 HydrophobicContact CB-CG 4.28Å; I19-Q22 HydrophobicContact CG2-CG 4.46Å; I19-Q22 PolarHBondContact O-N 3.46Å; I19-Q22 VanDerWaalsContact O-N 3.17Å
20	K	57.5	Low	69.5	Low	182 Å²	182	109.2 Å²	109.2	79%	0.791	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.1	-168.3	-132.5	177.1	-178.1	-177.9	0	116.1
21	D	56.2	Low	69.9	Low	82 Å²	82	109 Å²	109	44%	0.439	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	16.4	-176.9	-65.6	-37.5	0	0	0	114.1	I19 K25	I19-D21 PolarHBondContact O-N 2.69Å; D21-K25 WeakPolarHBondContact O-CD 3.37Å; D21-K25 WeakPolarHBondContact O-CG 3.26Å
22	Q	53.7	Low	70.5	Confident	123 Å²	123	105.5 Å²	105.5	58%	0.575	53%	0.528	S	S	*	.	S	Bend	trans	-71.4	-39.6	-179.8	-105.9	-178.2	-23	0	0	113	I19 K24 K25	I19-Q22 HydrophobicContact CB-CG 4.28Å; I19-Q22 HydrophobicContact CG2-CG 4.46Å; I19-Q22 PolarHBondContact O-N 3.46Å; I19-Q22 VanDerWaalsContact O-N 3.17Å; Q22-K24 VanDerWaalsContact C-N 3.26Å; Q22-K24 PolarHBondContact O-N 3.46Å; Q22-K25 PolarHBondContact O-N 3.32Å; Q22-K25 VanDerWaalsContact O-N 3.15Å
23	D	55.4	Low	71.1	Confident	175 Å²	175	96.7 Å²	96.7	94%	0.936	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.4	-177.7	-71.6	-23.1	0	0	0	113.4
24	K	56.8	Low	71.7	Confident	101 Å²	101	94.7 Å²	94.7	44%	0.439	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.4	176.7	-65.4	-167.8	176.9	-162	0	113.2	Q22 G537 E540	Q22-K24 VanDerWaalsContact C-N 3.26Å; Q22-K24 PolarHBondContact O-N 3.46Å; K24-G537 WeakPolarHBondContact O-CA 3.36Å; K24-G537 PolarHBondContact O-N 3.06Å; K24-G537 VanDerWaalsContact O-N 3.09Å; K24-E540 IonicContact NZ-OE2 2.89Å
25	K	62.8	Low	72.3	Confident	102 Å²	102	89 Å²	89	44%	0.443	45%	0.452	S	S	.	.			trans	-98.6	110.4	-176.3	-72.6	172.4	-172.8	173	0	110.3	D21 Q22	D21-K25 WeakPolarHBondContact O-CD 3.37Å; D21-K25 WeakPolarHBondContact O-CG 3.26Å; Q22-K25 PolarHBondContact O-N 3.32Å; Q22-K25 VanDerWaalsContact O-N 3.15Å
26	T	67.9	Low	73.2	Confident	93 Å²	93	86.7 Å²	86.7	57%	0.571	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	127	168.7	51.8	0	0	0	0	109.1	S535	T26-S535 PolarHBondContact O-N 3.35Å
27	R	78.2	Confident	74.1	Confident	151 Å²	151	82.2 Å²	82.2	57%	0.57	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.2	175.6	-173.1	-177.7	-175.5	-164	-1.3	109.3	D532 I533 R534	R27-D532 WeakPolarHBondContact CG-OD1 3.39Å; R27-D532 IonicContact CZ-OD1 2.64Å; R27-D532 IonicContact CZ-OD2 3.74Å; R27-D532 IonicContact NE-OD1 3.96Å; R27-D532 PolarHBondContact NE-OD1 2.89Å; R27-D532 IonicContact NE-OD2 3.83Å; R27-D532 PolarHBondContact NE-OD2 2.98Å; R27-D532 IonicContact NH2-OD1 3.3Å; R27-D532 IonicContact NH2-OD2 3.31Å; R27-D532 PolarHBondContact NH2-OD2 3.32Å; R27-I533 WeakPolarHBondContact CA-O 3.41Å; R27-R534 HydrophobicContact CG-CG 4.44Å
28	L	80.3	Confident	75	Confident	75 Å²	75	77.3 Å²	77.3	39%	0.393	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.8	168.8	-73.9	155.7	0	0	0	107.1	D32 A33 I533	L28-D32 HydrophobicContact CD2-CB 4.41Å; L28-A33 HydrophobicContact CB-CB 4.13Å; L28-I533 HydrophobicContact CB-CB 4.34Å; L28-I533 HydrophobicContact CB-CD1 4.15Å; L28-I533 HydrophobicContact CD1-CD1 4.3Å; L28-I533 PolarHBondContact N-O 2.74Å; L28-I533 PolarHBondContact O-N 3.35Å
29	S	82.9	Confident	76.5	Confident	62 Å²	62	80.2 Å²	80.2	43%	0.434	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.4	-174.3	-171.4	0	0	0	0	112	D531	S29-D531 CarbonylContact C-O 3.5Å; S29-D531 WeakPolarHBondContact CA-O 3.43Å
30	G	85.2	Confident	77.8	Confident	29 Å²	29	78 Å²	78	30%	0.299	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	-128.9	176.7	0	0	0	0	0	112.8	A33 L34 D531	G30-A33 PolarHBondContact O-N 2.88Å; G30-L34 PolarHBondContact O-N 3.12Å; G30-D531 PolarHBondContact N-O 3.02Å
31	L	85.3	Confident	79.5	Confident	77 Å²	77	69.4 Å²	69.4	40%	0.403	36%	0.36	S	S	.	.	H	α-helix	trans	-69.2	-35.7	-170.6	-164.9	151.9	0	0	0	112.3	A33 L34 K35	L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 3.42Å; L31-L34 PolarHBondContact O-N 3.25Å; L31-K35 HydrophobicContact CD2-CD 3.59Å; L31-K35 VanDerWaalsContact CD2-CE 3.47Å; L31-K35 HydrophobicContact CD2-CG 3.93Å; L31-K35 PolarHBondContact O-N 3.37Å
32	D	86.8	Confident	81.3	Confident	108 Å²	108	69.3 Å²	69.3	58%	0.578	36%	0.355	S	S	*	.	H	α-helix	trans	-67.1	-35.9	179.1	-65.3	-24.8	0	0	0	112	L28 S36	L28-D32 HydrophobicContact CD2-CB 4.41Å; D32-S36 WeakPolarHBondContact O-CB 3.45Å; D32-S36 PolarHBondContact O-N 3.27Å
33	A	87.8	Confident	83.1	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-47.5	173	0	0	0	0	0	111	L28 G30 L31 K35 S36 H37 I533	L28-A33 HydrophobicContact CB-CB 4.13Å; G30-A33 PolarHBondContact O-N 2.88Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 3.42Å; A33-K35 PolarHBondContact O-N 3.2Å; A33-S36 WeakPolarHBondContact O-CB 3.38Å; A33-S36 PolarHBondContact O-N 2.86Å; A33-H37 PolarHBondContact O-CD2 2.91Å; A33-H37 PolarHBondContact O-N 2.84Å; A33-I533 HydrophobicContact CB-CD1 3.83Å; A33-I533 HydrophobicContact CB-CG1 4.02Å
34	L	88.5	Confident	84.9	Confident	9 Å²	9	58 Å²	58	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-42.5	177.4	-73.7	169.4	0	0	0	112.1	G30 L31 S36 H37 I38 L124 P130 L528 I530	G30-L34 PolarHBondContact O-N 3.12Å; L31-L34 PolarHBondContact O-N 3.25Å; L34-S36 PolarHBondContact O-N 3.29Å; L34-H37 WeakPolarHBondContact O-CB 3.49Å; L34-H37 PolarHBondContact O-N 3.15Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.42Å; L34-I38 PolarHBondContact O-N 2.94Å; L34-L124 HydrophobicContact CB-CD1 4.3Å; L34-L124 HydrophobicContact CD1-CD1 4.24Å; L34-L124 HydrophobicContact CD1-CD2 4.37Å; L34-P130 HydrophobicContact CD1-CB 4.27Å; L34-P130 HydrophobicContact CD1-CG 4.14Å; L34-L528 HydrophobicContact CD2-CD2 4.44Å; L34-I530 WeakPolarHBondContact CD2-O 3.3Å
35	K	89.6	Confident	86.7	Confident	64 Å²	64	53.6 Å²	53.6	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-41.7	175.7	-77.9	-170.6	167.8	177.6	0	112.4	L31 A33 H37 I38 M39 D125	L31-K35 HydrophobicContact CD2-CD 3.59Å; L31-K35 VanDerWaalsContact CD2-CE 3.47Å; L31-K35 HydrophobicContact CD2-CG 3.93Å; L31-K35 PolarHBondContact O-N 3.37Å; A33-K35 PolarHBondContact O-N 3.2Å; K35-H37 VanDerWaalsContact C-N 3.29Å; K35-H37 PolarHBondContact O-N 3.05Å; K35-I38 PolarHBondContact O-N 3.48Å; K35-M39 WeakPolarHBondContact O-CB 3.38Å; K35-M39 PolarHBondContact O-N 3.36Å; K35-D125 WeakPolarHBondContact CE-OD1 3Å; K35-D125 IonicContact NZ-OD1 2.65Å; K35-D125 PolarHBondContact NZ-OD1 2.96Å; K35-D125 IonicContact NZ-OD2 2.9Å
36	S	90.7	Very high	88	Confident	40 Å²	40	51.9 Å²	51.9	28%	0.28	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-40.8	173.9	178.8	0	0	0	0	111.8	D32 A33 L34 A40	D32-S36 WeakPolarHBondContact O-CB 3.45Å; D32-S36 PolarHBondContact O-N 3.27Å; A33-S36 WeakPolarHBondContact O-CB 3.38Å; A33-S36 PolarHBondContact O-N 2.86Å; L34-S36 PolarHBondContact O-N 3.29Å; S36-A40 PolarHBondContact O-N 3.44Å; S36-A40 VanDerWaalsContact O-N 3.16Å
37	H	90.9	Very high	89.2	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.032	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-47.7	175.9	-67.1	-22.7	0	0	0	113.1	A33 L34 K35 M39 A40 A41 H85 I87 I527 I530 I533	A33-H37 PolarHBondContact O-CD2 2.91Å; A33-H37 PolarHBondContact O-N 2.84Å; L34-H37 WeakPolarHBondContact O-CB 3.49Å; L34-H37 PolarHBondContact O-N 3.15Å; K35-H37 VanDerWaalsContact C-N 3.29Å; K35-H37 PolarHBondContact O-N 3.05Å; H37-M39 VanDerWaalsContact C-N 3.34Å; H37-A40 PolarHBondContact O-N 3.5Å; H37-A41 PolarHBondContact O-N 3.23Å; H37-A41 VanDerWaalsContact O-N 3.07Å; H37-H85 AromaticContact ND1-CE1 3.59Å; H37-I87 HydrophobicContact CB-CD1 4.25Å; H37-I87 HydrophobicContact CB-CG1 3.75Å; H37-I87 VanDerWaalsContact ND1-CG1 3.26Å; H37-I87 WeakPolarHBondContact ND1-CG1 3.39Å; H37-I527 HydrophobicContact CB-CG2 3.93Å; H37-I530 WeakPolarHBondContact NE2-CG2 3.36Å; H37-I533 WeakPolarHBondContact CE1-CD1 3.41Å; H37-I533 WeakPolarHBondContact CE1-CG1 3.5Å
38	I	92.8	Very high	89.8	Confident	1 Å²	1	43 Å²	43	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-43	179.3	-66.5	165.3	0	0	0	110.2	L34 K35 A40 A41 K42 L117 E121 L124	L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.42Å; L34-I38 PolarHBondContact O-N 2.94Å; K35-I38 PolarHBondContact O-N 3.48Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.24Å; I38-A41 PolarHBondContact O-N 3.47Å; I38-K42 VanDerWaalsContact O-CB 3.23Å; I38-K42 WeakPolarHBondContact O-CB 3.49Å; I38-K42 PolarHBondContact O-N 2.99Å; I38-L117 HydrophobicContact CG1-CB 4.17Å; I38-L117 HydrophobicContact CG1-CD2 4.19Å; I38-L117 HydrophobicContact CG2-CB 4.14Å; I38-L117 WeakPolarHBondContact CG2-O 3.29Å; I38-E121 HydrophobicContact CD1-CB 3.93Å; I38-E121 HydrophobicContact CD1-CG 4.35Å; I38-E121 HydrophobicContact CG2-CB 4.25Å; I38-L124 HydrophobicContact CD1-CD1 3.97Å
39	M	92.6	Very high	90.4	Very high	141 Å²	141	43.7 Å²	43.7	70%	0.695	25%	0.249	S	C	*	.	H	α-helix	trans	-59.3	-44.3	177.9	-172.6	-178.2	-171	0	0	112.1	K35 H37 K42 A43	K35-M39 WeakPolarHBondContact O-CB 3.38Å; K35-M39 PolarHBondContact O-N 3.36Å; H37-M39 VanDerWaalsContact C-N 3.34Å; M39-K42 PolarHBondContact O-N 3.37Å; M39-A43 WeakPolarHBondContact O-CB 3.43Å; M39-A43 PolarHBondContact O-N 3.16Å
40	A	92.3	Very high	90.9	Very high	17 Å²	17	43.8 Å²	43.8	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-45.7	177.5	0	0	0	0	0	112	S36 H37 I38 K42 A43 V44 H85	S36-A40 PolarHBondContact O-N 3.44Å; S36-A40 VanDerWaalsContact O-N 3.16Å; H37-A40 PolarHBondContact O-N 3.5Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.24Å; A40-K42 PolarHBondContact O-N 2.67Å; A40-A43 PolarHBondContact O-N 3.22Å; A40-V44 WeakPolarHBondContact O-CG2 3.33Å; A40-V44 PolarHBondContact O-N 3.5Å; A40-H85 HydrophobicContact CB-CB 4.21Å; A40-H85 VanDerWaalsContact CB-ND1 3.31Å; A40-H85 WeakPolarHBondContact CB-ND1 3.48Å
41	A	93.1	Very high	91.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-40.6	177.6	0	0	0	0	0	112.1	H37 I38 A43 V44 A45 I87 M91 L117	H37-A41 PolarHBondContact O-N 3.23Å; H37-A41 VanDerWaalsContact O-N 3.07Å; I38-A41 PolarHBondContact O-N 3.47Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.17Å; A41-V44 PolarHBondContact O-N 2.78Å; A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 3.16Å; A41-I87 HydrophobicContact CB-CG2 4.05Å; A41-M91 HydrophobicContact CB-CG 4.42Å; A41-M91 HydrophobicContact CB-SD 4.35Å; A41-L117 HydrophobicContact CB-CD1 3.33Å
42	K	93.3	Very high	91.4	Very high	80 Å²	80	39.6 Å²	39.6	35%	0.348	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-39.9	176.5	-179.2	172	175.2	171.8	0	112.1	I38 M39 A40 A45 S46 E118	I38-K42 VanDerWaalsContact O-CB 3.23Å; I38-K42 WeakPolarHBondContact O-CB 3.49Å; I38-K42 PolarHBondContact O-N 2.99Å; M39-K42 PolarHBondContact O-N 3.37Å; A40-K42 PolarHBondContact O-N 2.67Å; K42-A45 PolarHBondContact O-N 3.36Å; K42-S46 VanDerWaalsContact O-CB 3.3Å; K42-S46 WeakPolarHBondContact O-CB 3.45Å; K42-S46 PolarHBondContact O-N 3.28Å; K42-S46 PolarHBondContact O-OG 3.37Å; K42-E118 WeakPolarHBondContact CE-OE1 3.36Å; K42-E118 VanDerWaalsContact NZ-CD 3.34Å; K42-E118 IonicContact NZ-OE1 4Å; K42-E118 PolarHBondContact NZ-OE1 3.43Å; K42-E118 IonicContact NZ-OE2 3.08Å
43	A	92.3	Very high	91.5	Very high	51 Å²	51	35.3 Å²	35.3	42%	0.421	20%	0.2	S	C	.	.	H	α-helix	trans	-64.3	-39.6	176.4	0	0	0	0	0	112.6	M39 A40 A41 S46 T47	M39-A43 WeakPolarHBondContact O-CB 3.43Å; M39-A43 PolarHBondContact O-N 3.16Å; A40-A43 PolarHBondContact O-N 3.22Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.17Å; A43-S46 PolarHBondContact O-OG 3.48Å; A43-T47 PolarHBondContact O-N 3.48Å; A43-T47 PolarHBondContact O-OG1 2.8Å
44	V	92.8	Very high	91.4	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-46.9	175.5	177.5	0	0	0	0	110.5	A40 A41 S46 T47 L48 L78 A88 M91 V110	A40-V44 WeakPolarHBondContact O-CG2 3.33Å; A40-V44 PolarHBondContact O-N 3.5Å; A41-V44 PolarHBondContact O-N 2.78Å; V44-S46 PolarHBondContact O-N 2.84Å; V44-T47 WeakPolarHBondContact O-CB 3.45Å; V44-T47 PolarHBondContact O-N 3.07Å; V44-L48 PolarHBondContact O-N 3.44Å; V44-L78 HydrophobicContact CG1-CD1 4.42Å; V44-L78 HydrophobicContact CG1-CD2 3.41Å; V44-L78 VanDerWaalsContact CG1-CD2 3.41Å; V44-A88 HydrophobicContact CG2-CB 3.76Å; V44-M91 HydrophobicContact CG1-CB 4.23Å; V44-V110 HydrophobicContact CG1-CG1 4.11Å
45	A	94.1	Very high	91.3	Very high	8 Å²	8	40 Å²	40	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-41.5	179.2	0	0	0	0	0	112.8	A41 K42 T47 L48 R49	A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 3.16Å; K42-A45 PolarHBondContact O-N 3.36Å; A45-T47 VanDerWaalsContact C-N 3.3Å; A45-T47 PolarHBondContact O-N 3.22Å; A45-L48 PolarHBondContact O-N 3.32Å; A45-R49 PolarHBondContact O-N 2.96Å
46	S	91.8	Very high	91.2	Very high	66 Å²	66	37.6 Å²	37.6	46%	0.462	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-35.7	177.4	68.1	0	0	0	0	112.1	K42 A43 V44 R49	K42-S46 VanDerWaalsContact O-CB 3.3Å; K42-S46 WeakPolarHBondContact O-CB 3.45Å; K42-S46 PolarHBondContact O-N 3.28Å; K42-S46 PolarHBondContact O-OG 3.37Å; A43-S46 PolarHBondContact O-OG 3.48Å; V44-S46 PolarHBondContact O-N 2.84Å; S46-R49 PolarHBondContact O-N 3.09Å
47	T	91.1	Very high	91	Very high	57 Å²	57	41.4 Å²	41.4	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-44.3	175.1	-57.2	0	0	0	0	110.7	A43 V44 A45 T50 K59 M81	A43-T47 PolarHBondContact O-N 3.48Å; A43-T47 PolarHBondContact O-OG1 2.8Å; V44-T47 WeakPolarHBondContact O-CB 3.45Å; V44-T47 PolarHBondContact O-N 3.07Å; A45-T47 VanDerWaalsContact C-N 3.3Å; A45-T47 PolarHBondContact O-N 3.22Å; T47-T50 PolarHBondContact O-OG1 3.2Å; T47-K59 HydrophobicContact CG2-CD 4.32Å; T47-K59 WeakPolarHBondContact O-CE 3.32Å; T47-K59 PolarHBondContact O-NZ 2.91Å; T47-M81 HydrophobicContact CG2-CE 4.07Å
48	L	92	Very high	90.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-79	-20.7	-180	-71.3	-177.6	0	0	0	114.7	V44 A45 T50 S51 I77 L78 T107 V110	V44-L48 PolarHBondContact O-N 3.44Å; A45-L48 PolarHBondContact O-N 3.32Å; L48-T50 PolarHBondContact O-N 3.36Å; L48-T50 VanDerWaalsContact O-N 3.12Å; L48-S51 WeakPolarHBondContact O-CB 3.35Å; L48-S51 PolarHBondContact O-N 3Å; L48-I77 HydrophobicContact CD2-CB 4.1Å; L48-I77 HydrophobicContact CD2-CD1 3.94Å; L48-I77 HydrophobicContact CD2-CG2 3.77Å; L48-L78 HydrophobicContact CD1-CD1 3.65Å; L48-L78 HydrophobicContact CD1-CD2 4.03Å; L48-L78 HydrophobicContact CD1-CG 3.82Å; L48-L78 HydrophobicContact CG-CD2 4.46Å; L48-T107 HydrophobicContact CD2-CG2 4.37Å; L48-V110 HydrophobicContact CD1-CB 3.9Å; L48-V110 HydrophobicContact CD1-CG1 3.68Å; L48-V110 HydrophobicContact CD1-CG2 4.19Å
49	R	92.7	Very high	90.8	Very high	90 Å²	90	45.5 Å²	45.5	34%	0.34	26%	0.259	S	S	.	.	H	α-helix	trans	-53.4	-37.5	-178.1	-169.3	172.5	97.3	-164.8	-0.2	112.9	A45 S46 S51 L52 V111 A461 E464 N465	A45-R49 PolarHBondContact O-N 2.96Å; S46-R49 PolarHBondContact O-N 3.09Å; R49-S51 PolarHBondContact O-N 3.14Å; R49-L52 WeakPolarHBondContact O-CB 3.21Å; R49-L52 PolarHBondContact O-N 3.47Å; R49-V111 HydrophobicContact CB-CG2 4.48Å; R49-A461 HydrophobicContact CG-CB 3.55Å; R49-E464 IonicContact CZ-OE1 2.77Å; R49-E464 IonicContact CZ-OE2 2.77Å; R49-E464 IonicContact NE-OE2 3.21Å; R49-E464 PolarHBondContact NE-OE2 2.94Å; R49-E464 IonicContact NH2-OE1 2.79Å; R49-E464 PolarHBondContact NH2-OE1 3.4Å; R49-E464 IonicContact NH2-OE2 3.38Å; R49-E464 PolarHBondContact NH2-OE2 3.4Å; R49-N465 PolarHBondContact O-ND2 3.23Å
50	T	92.6	Very high	90.7	Very high	64 Å²	64	44.9 Å²	44.9	39%	0.393	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.4	-179.9	54	0	0	0	0	114.7	T47 L48 G56 L57 K59	T47-T50 PolarHBondContact O-OG1 3.2Å; L48-T50 PolarHBondContact O-N 3.36Å; L48-T50 VanDerWaalsContact O-N 3.12Å; T50-G56 WeakPolarHBondContact O-CA 3.17Å; T50-L57 PolarHBondContact O-N 2.88Å; T50-K59 PolarHBondContact OG1-NZ 2.87Å
51	S	90.8	Very high	90.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-0.6	178.6	-68.3	0	0	0	0	112.5	L48 R49 L57 K59 N72	L48-S51 WeakPolarHBondContact O-CB 3.35Å; L48-S51 PolarHBondContact O-N 3Å; R49-S51 PolarHBondContact O-N 3.14Å; S51-L57 PolarHBondContact OG-O 3.28Å; S51-K59 WeakPolarHBondContact OG-CE 3.42Å; S51-K59 PolarHBondContact OG-NZ 3Å; S51-N72 WeakPolarHBondContact CA-OD1 3.1Å; S51-N72 WeakPolarHBondContact CB-OD1 3.46Å; S51-N72 PolarHBondContact O-ND2 2.95Å; S51-N72 PolarHBondContact O-OD1 3.4Å; S51-N72 VanDerWaalsContact O-OD1 3.07Å
52	L	90.9	Very high	90.5	Very high	16 Å²	16	50 Å²	50	8%	0.084	28%	0.283	C	S	.	.			trans	-82.2	131.7	-176.5	-167.3	74	0	0	0	112.4	R49 I458 A461 L462 N465	R49-L52 WeakPolarHBondContact O-CB 3.21Å; R49-L52 PolarHBondContact O-N 3.47Å; L52-I458 HydrophobicContact CD2-CG2 4.23Å; L52-A461 HydrophobicContact CD2-CB 3.96Å; L52-L462 HydrophobicContact CD2-CD2 4.23Å; L52-L462 HydrophobicContact CD2-CG 4.24Å; L52-L462 HydrophobicContact CG-CD2 4.02Å; L52-N465 PolarHBondContact O-ND2 3.48Å
53	G	88.5	Confident	90.2	Very high	18 Å²	18	50.5 Å²	50.5	19%	0.186	29%	0.289	C	S	.	.	S	Bend	trans	90.4	-179.6	172.8	0	0	0	0	0	114.7	N55 G56 S175	G53-N55 PolarHBondContact O-N 3.39Å; G53-G56 PolarHBondContact O-N 2.86Å; G53-S175 WeakPolarHBondContact O-CB 3.34Å
54	P	85.4	Confident	89.9	Confident	47 Å²	47	57.6 Å²	57.6	31%	0.305	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.6	-175.7	26.9	-34.6	0	0	0	113.9	G56 C493 L494	P54-G56 VanDerWaalsContact C-N 3.35Å; P54-C493 HydrophobicContact CG-CB 3.53Å; P54-L494 HydrophobicContact CB-CD2 4.45Å; P54-L494 HydrophobicContact CG-CD2 4.49Å
55	N	87.6	Confident	89.7	Confident	61 Å²	61	64.4 Å²	64.4	33%	0.326	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.4	174.4	-59.6	-38.7	0	0	0	112.3	G53 N465 S466 C493	G53-N55 PolarHBondContact O-N 3.39Å; N55-N465 WeakPolarHBondContact CB-O 2.97Å; N55-S466 WeakPolarHBondContact ND2-CB 3.36Å; N55-S466 PolarHBondContact ND2-OG 3.36Å; N55-C493 PolarHBondContact ND2-O 3.33Å
56	G	86.3	Confident	89.4	Confident	13 Å²	13	66.3 Å²	66.3	13%	0.134	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-64	145.2	173.4	0	0	0	0	0	111.3	T50 G53 P54	T50-G56 WeakPolarHBondContact O-CA 3.17Å; G53-G56 PolarHBondContact O-N 2.86Å; P54-G56 VanDerWaalsContact C-N 3.35Å
57	L	87.8	Confident	89.2	Confident	120 Å²	120	67.6 Å²	67.6	63%	0.628	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-95.3	134.8	179.1	-60.6	176.2	0	0	0	111.1	T50 S51 N72	T50-L57 PolarHBondContact O-N 2.88Å; S51-L57 PolarHBondContact OG-O 3.28Å; L57-N72 PolarHBondContact O-OD1 3.09Å
58	D	88.9	Confident	89	Confident	67 Å²	67	67.2 Å²	67.2	36%	0.358	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-63.6	149.2	172.5	-58.6	-18.3	0	0	0	111.1	V70 N72 V177	D58-V70 HydrophobicContact CB-CG1 3.65Å; D58-N72 WeakPolarHBondContact OD1-CB 3.36Å; D58-V177 WeakPolarHBondContact OD2-CG2 3.41Å
59	K	90.6	Very high	88.8	Confident	28 Å²	28	68.3 Å²	68.3	12%	0.122	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.2	173.4	-54.5	-160.9	-164.5	-54.2	0	110.6	T47 T50 S51 V70 T71 I77	T47-K59 HydrophobicContact CG2-CD 4.32Å; T47-K59 WeakPolarHBondContact O-CE 3.32Å; T47-K59 PolarHBondContact O-NZ 2.91Å; T50-K59 PolarHBondContact OG1-NZ 2.87Å; S51-K59 WeakPolarHBondContact OG-CE 3.42Å; S51-K59 PolarHBondContact OG-NZ 3Å; K59-V70 WeakPolarHBondContact O-CA 3.23Å; K59-T71 PolarHBondContact N-O 3.37Å; K59-T71 PolarHBondContact O-N 2.84Å; K59-T71 VanDerWaalsContact O-N 3.07Å; K59-I77 HydrophobicContact CB-CD1 4Å; K59-I77 HydrophobicContact CB-CG1 4.15Å; K59-I77 HydrophobicContact CD-CD1 3.84Å; K59-I77 HydrophobicContact CD-CG1 4.39Å; K59-I77 HydrophobicContact CD-CG2 3.91Å; K59-I77 HydrophobicContact CG-CD1 3.77Å; K59-I77 HydrophobicContact CG-CG1 4.41Å
60	M	90.6	Very high	88.6	Confident	127 Å²	127	66.2 Å²	66.2	63%	0.626	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.6	173.4	-175.2	179.2	176	0	0	109	V68 T69 V70	M60-V68 HydrophobicContact CE-CB 4.42Å; M60-V68 HydrophobicContact CE-CG1 3.36Å; M60-V68 HydrophobicContact CE-CG2 4.15Å; M60-V68 HydrophobicContact CG-CG1 3.74Å; M60-V68 HydrophobicContact SD-CG1 4.29Å; M60-T69 CarbonylContact C-O 3.6Å; M60-T69 WeakPolarHBondContact CA-O 3.4Å; M60-V70 HydrophobicContact CB-CG2 3.99Å; M60-V70 HydrophobicContact CG-CG2 3.88Å
61	M	89.4	Confident	88.4	Confident	35 Å²	35	63.2 Å²	63.2	17%	0.172	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.8	175.5	-58.4	-58.5	-70.9	0	0	108.9	V68 T69 M80 M81	M61-V68 CarbonylContact O-C 3.57Å; M61-V68 WeakPolarHBondContact O-CA 3.39Å; M61-T69 PolarHBondContact N-O 3.36Å; M61-T69 PolarHBondContact O-N 2.9Å; M61-M80 HydrophobicContact CB-CB 4.32Å; M61-M80 HydrophobicContact CB-SD 4.08Å; M61-M80 HydrophobicContact CE-CB 4.15Å; M61-M80 HydrophobicContact CG-CB 4.35Å; M61-M80 HydrophobicContact CG-SD 4.48Å; M61-M81 HydrophobicContact CE-CB 4.1Å
62	V	90.2	Very high	88.2	Confident	90 Å²	90	63.6 Å²	63.6	55%	0.545	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.5	173.8	-175.9	0	0	0	0	107	V68	V62-V68 HydrophobicContact CG2-CG2 4.35Å
63	D	87.3	Confident	88	Confident	90 Å²	90	63.1 Å²	63.1	48%	0.481	34%	0.343	S	S	.	.			trans	-72.5	167.2	179.1	-158.3	-3.4	0	0	0	111	D65 G66 E67	D63-D65 PolarHBondContact O-N 3.45Å; D63-G66 WeakPolarHBondContact O-CA 3.42Å; D63-G66 PolarHBondContact O-N 3.37Å; D63-E67 PolarHBondContact N-O 3.26Å
64	R	87.2	Confident	88	Confident	201 Å²	201	62.2 Å²	62.2	76%	0.758	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.8	175.9	-63.8	-178.9	177.1	177.9	0.1	112.2	G66 D82	R64-G66 VanDerWaalsContact C-N 3.28Å; R64-D82 IonicContact CZ-OD2 3.75Å; R64-D82 IonicContact NE-OD2 3.16Å; R64-D82 IonicContact NH2-OD1 3.42Å; R64-D82 PolarHBondContact NH2-OD1 2.83Å; R64-D82 IonicContact NH2-OD2 3.16Å; R64-D82 PolarHBondContact NH2-OD2 3.19Å
65	D	89.1	Confident	88.2	Confident	152 Å²	152	60.5 Å²	60.5	81%	0.813	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.5	176.2	-67	-28.4	0	0	0	113.5	D63 E67	D63-D65 PolarHBondContact O-N 3.45Å; D65-E67 VanDerWaalsContact C-N 3.33Å
66	G	86.6	Confident	88.2	Confident	49 Å²	49	58.4 Å²	58.4	51%	0.505	31%	0.313	S	S	.	.			trans	80.7	7.8	-178.9	0	0	0	0	0	114.6	D63 R64 V68	D63-G66 WeakPolarHBondContact O-CA 3.42Å; D63-G66 PolarHBondContact O-N 3.37Å; R64-G66 VanDerWaalsContact C-N 3.28Å; G66-V68 PolarHBondContact O-N 3.38Å
67	E	86.7	Confident	88.5	Confident	93 Å²	93	57.8 Å²	57.8	44%	0.435	31%	0.307	S	S	.	.			trans	-69.7	123.5	169.6	-174	162.7	-160.4	0	0	109.3	D63 D65 K392	D63-E67 PolarHBondContact N-O 3.26Å; D65-E67 VanDerWaalsContact C-N 3.33Å; E67-K392 IonicContact OE1-NZ 3.75Å; E67-K392 PolarHBondContact OE1-NZ 3.38Å
68	V	88.8	Confident	88.6	Confident	49 Å²	49	52.2 Å²	52.2	30%	0.297	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.7	175.6	-175	0	0	0	0	107.7	M60 M61 V62 G66 V70 M393	M60-V68 HydrophobicContact CE-CB 4.42Å; M60-V68 HydrophobicContact CE-CG1 3.36Å; M60-V68 HydrophobicContact CE-CG2 4.15Å; M60-V68 HydrophobicContact CG-CG1 3.74Å; M60-V68 HydrophobicContact SD-CG1 4.29Å; M61-V68 CarbonylContact O-C 3.57Å; M61-V68 WeakPolarHBondContact O-CA 3.39Å; V62-V68 HydrophobicContact CG2-CG2 4.35Å; G66-V68 PolarHBondContact O-N 3.38Å; V68-V70 HydrophobicContact CG1-CG2 4.41Å; V68-M393 HydrophobicContact CB-CE 4.06Å; V68-M393 HydrophobicContact CG1-CE 3.65Å; V68-M393 VanDerWaalsContact O-CE 3.31Å; V68-M393 WeakPolarHBondContact O-CE 3.33Å
69	T	86.6	Confident	88.7	Confident	22 Å²	22	52.9 Å²	52.9	14%	0.135	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.7	166.3	-64.1	0	0	0	0	108.9	M60 M61 T71 M80 R400	M60-T69 CarbonylContact C-O 3.6Å; M60-T69 WeakPolarHBondContact CA-O 3.4Å; M61-T69 PolarHBondContact N-O 3.36Å; M61-T69 PolarHBondContact O-N 2.9Å; T69-T71 HydrophobicContact CG2-CG2 4.4Å; T69-M80 HydrophobicContact CG2-CE 3.81Å; T69-M80 HydrophobicContact CG2-SD 3.93Å; T69-R400 VanDerWaalsContact CG2-NH1 3.3Å
70	V	88.9	Confident	88.6	Confident	47 Å²	47	55 Å²	55	29%	0.285	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.4	173.8	176.5	0	0	0	0	106.9	D58 K59 M60 V68 M393	D58-V70 HydrophobicContact CB-CG1 3.65Å; K59-V70 WeakPolarHBondContact O-CA 3.23Å; M60-V70 HydrophobicContact CB-CG2 3.99Å; M60-V70 HydrophobicContact CG-CG2 3.88Å; V68-V70 HydrophobicContact CG1-CG2 4.41Å; V70-M393 HydrophobicContact CB-CE 3.87Å; V70-M393 HydrophobicContact CG2-CE 3.52Å; V70-M393 VanDerWaalsContact N-CE 3.25Å
71	T	87.6	Confident	88.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.2	-174.6	-170.7	0	0	0	0	112	K59 T69 D73 T76 I77 E397	K59-T71 PolarHBondContact N-O 3.37Å; K59-T71 PolarHBondContact O-N 2.84Å; K59-T71 VanDerWaalsContact O-N 3.07Å; T69-T71 HydrophobicContact CG2-CG2 4.4Å; T71-D73 PolarHBondContact OG1-N 2.83Å; T71-T76 HydrophobicContact CG2-CG2 3.89Å; T71-I77 HydrophobicContact CG2-CG1 3.76Å; T71-E397 VanDerWaalsContact CA-OE2 3.31Å; T71-E397 WeakPolarHBondContact CA-OE2 3.33Å; T71-E397 WeakPolarHBondContact CB-OE2 3.08Å; T71-E397 PolarHBondContact OG1-OE1 2.62Å; T71-E397 PolarHBondContact OG1-OE2 3.07Å
72	N	87.3	Confident	88.2	Confident	10 Å²	10	55 Å²	55	5%	0.053	30%	0.301	C	S	.	.			trans	-97.5	-10.1	170.5	-155.1	10.4	0	0	0	113	S51 L57 D58 G74 S175 E397	S51-N72 WeakPolarHBondContact CA-OD1 3.1Å; S51-N72 WeakPolarHBondContact CB-OD1 3.46Å; S51-N72 PolarHBondContact O-ND2 2.95Å; S51-N72 PolarHBondContact O-OD1 3.4Å; S51-N72 VanDerWaalsContact O-OD1 3.07Å; L57-N72 PolarHBondContact O-OD1 3.09Å; D58-N72 WeakPolarHBondContact OD1-CB 3.36Å; N72-G74 PolarHBondContact O-N 3.27Å; N72-S175 PolarHBondContact ND2-O 2.79Å; N72-E397 PolarHBondContact N-OE1 2.97Å
73	D	87.4	Confident	87.9	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.032	28%	0.282	C	S	.	.			trans	-73.7	124.2	-175.1	170.8	44.7	0	0	0	111.8	T71 A75 T76 I77 T106	T71-D73 PolarHBondContact OG1-N 2.83Å; D73-A75 PolarHBondContact O-N 3.48Å; D73-A75 PolarHBondContact OD1-N 3.5Å; D73-T76 PolarHBondContact O-N 3.07Å; D73-T76 VanDerWaalsContact OD2-CB 3.26Å; D73-T76 WeakPolarHBondContact OD2-CB 3.48Å; D73-T76 PolarHBondContact OD2-N 3.11Å; D73-T76 PolarHBondContact OD2-OG1 3.18Å; D73-I77 WeakPolarHBondContact O-CB 3.5Å; D73-I77 WeakPolarHBondContact O-CD1 2.73Å; D73-I77 WeakPolarHBondContact O-CG1 3.47Å; D73-I77 PolarHBondContact O-N 2.92Å; D73-T106 PolarHBondContact OD1-OG1 3Å
74	G	88.4	Confident	87.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-35.8	-176.5	0	0	0	0	0	113.2	N72 L78 T106	N72-G74 PolarHBondContact O-N 3.27Å; G74-L78 WeakPolarHBondContact O-CB 3.45Å; G74-L78 VanDerWaalsContact O-CG 3.22Å; G74-L78 WeakPolarHBondContact O-CG 2.79Å; G74-L78 PolarHBondContact O-N 3.37Å; G74-L78 VanDerWaalsContact O-N 3.1Å; G74-T106 PolarHBondContact N-OG1 3.32Å
75	A	89.2	Confident	87.8	Confident	10 Å²	10	47.6 Å²	47.6	8%	0.083	27%	0.272	C	S	.	.	H	α-helix	trans	-68	-45.6	179.2	0	0	0	0	0	110.7	D73 L78 S79 S95 D99 T106	D73-A75 PolarHBondContact O-N 3.48Å; D73-A75 PolarHBondContact OD1-N 3.5Å; A75-L78 PolarHBondContact O-N 3.07Å; A75-S79 WeakPolarHBondContact O-CB 3.35Å; A75-S79 PolarHBondContact O-N 3.11Å; A75-S79 PolarHBondContact O-OG 3.43Å; A75-S95 VanDerWaalsContact CA-OG 3.24Å; A75-S95 WeakPolarHBondContact CA-OG 3.49Å; A75-S95 PolarHBondContact N-OG 3.06Å; A75-D99 HydrophobicContact CB-CB 3.92Å; A75-T106 HydrophobicContact CB-CG2 3.75Å
76	T	88.4	Confident	87.8	Confident	18 Å²	18	46.5 Å²	46.5	11%	0.11	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-50	175.4	-57.8	0	0	0	0	111.6	T71 D73 L78 S79 M80 R400	T71-T76 HydrophobicContact CG2-CG2 3.89Å; D73-T76 PolarHBondContact O-N 3.07Å; D73-T76 VanDerWaalsContact OD2-CB 3.26Å; D73-T76 WeakPolarHBondContact OD2-CB 3.48Å; D73-T76 PolarHBondContact OD2-N 3.11Å; D73-T76 PolarHBondContact OD2-OG1 3.18Å; T76-L78 VanDerWaalsContact C-N 3.28Å; T76-L78 PolarHBondContact O-N 3.34Å; T76-S79 PolarHBondContact O-N 2.74Å; T76-S79 PolarHBondContact O-OG 3.11Å; T76-M80 HydrophobicContact CG2-CE 3.73Å; T76-M80 HydrophobicContact CG2-SD 4.19Å; T76-M80 WeakPolarHBondContact O-CG 3.44Å; T76-M80 PolarHBondContact O-N 3.46Å; T76-M80 VanDerWaalsContact O-N 3.1Å; T76-R400 VanDerWaalsContact CG2-CZ 3.46Å
77	I	91.3	Very high	88	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-53.6	-48.4	178.5	-70	162.1	0	0	0	110.6	L48 K59 T71 D73 M80 M81	L48-I77 HydrophobicContact CD2-CB 4.1Å; L48-I77 HydrophobicContact CD2-CD1 3.94Å; L48-I77 HydrophobicContact CD2-CG2 3.77Å; K59-I77 HydrophobicContact CB-CD1 4Å; K59-I77 HydrophobicContact CB-CG1 4.15Å; K59-I77 HydrophobicContact CD-CD1 3.84Å; K59-I77 HydrophobicContact CD-CG1 4.39Å; K59-I77 HydrophobicContact CD-CG2 3.91Å; K59-I77 HydrophobicContact CG-CD1 3.77Å; K59-I77 HydrophobicContact CG-CG1 4.41Å; T71-I77 HydrophobicContact CG2-CG1 3.76Å; D73-I77 WeakPolarHBondContact O-CB 3.5Å; D73-I77 WeakPolarHBondContact O-CD1 2.73Å; D73-I77 WeakPolarHBondContact O-CG1 3.47Å; D73-I77 PolarHBondContact O-N 2.92Å; I77-M80 PolarHBondContact O-N 3.45Å; I77-M81 HydrophobicContact CG2-CE 4.42Å; I77-M81 WeakPolarHBondContact O-CB 3.36Å; I77-M81 PolarHBondContact O-N 2.91Å; I77-M81 VanDerWaalsContact O-N 3.11Å
78	L	91.1	Very high	88.1	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-69.8	-34.1	-177.8	-72.6	-178.9	0	0	0	113.2	V44 L48 G74 A75 T76 M80 M81 V92 V110	V44-L78 HydrophobicContact CG1-CD1 4.42Å; V44-L78 HydrophobicContact CG1-CD2 3.41Å; V44-L78 VanDerWaalsContact CG1-CD2 3.41Å; L48-L78 HydrophobicContact CD1-CD1 3.65Å; L48-L78 HydrophobicContact CD1-CD2 4.03Å; L48-L78 HydrophobicContact CD1-CG 3.82Å; L48-L78 HydrophobicContact CG-CD2 4.46Å; G74-L78 WeakPolarHBondContact O-CB 3.45Å; G74-L78 VanDerWaalsContact O-CG 3.22Å; G74-L78 WeakPolarHBondContact O-CG 2.79Å; G74-L78 PolarHBondContact O-N 3.37Å; G74-L78 VanDerWaalsContact O-N 3.1Å; A75-L78 PolarHBondContact O-N 3.07Å; T76-L78 VanDerWaalsContact C-N 3.28Å; T76-L78 PolarHBondContact O-N 3.34Å; L78-M80 VanDerWaalsContact C-N 3.3Å; L78-M80 PolarHBondContact O-N 3.09Å; L78-M81 PolarHBondContact O-N 2.85Å; L78-V92 HydrophobicContact CB-CB 4.36Å; L78-V92 HydrophobicContact CB-CG1 4.2Å; L78-V92 HydrophobicContact CB-CG2 4.04Å; L78-V110 HydrophobicContact CD1-CG1 4.43Å; L78-V110 HydrophobicContact CD1-CG2 3.8Å
79	S	89.8	Confident	88.3	Confident	82 Å²	82	41.9 Å²	41.9	57%	0.573	22%	0.223	S	C	*	.	H	α-helix	trans	-68	-30.1	176	74.7	0	0	0	0	113.3	A75 T76	A75-S79 WeakPolarHBondContact O-CB 3.35Å; A75-S79 PolarHBondContact O-N 3.11Å; A75-S79 PolarHBondContact O-OG 3.43Å; T76-S79 PolarHBondContact O-N 2.74Å; T76-S79 PolarHBondContact O-OG 3.11Å
80	M	88.1	Confident	88.5	Confident	73 Å²	73	42.4 Å²	42.4	36%	0.36	23%	0.225	S	C	.	.	H	α-helix	trans	-87.7	-16.1	178.1	-66.5	-174.5	177.8	0	0	112.5	M61 T69 T76 I77 L78	M61-M80 HydrophobicContact CB-CB 4.32Å; M61-M80 HydrophobicContact CB-SD 4.08Å; M61-M80 HydrophobicContact CE-CB 4.15Å; M61-M80 HydrophobicContact CG-CB 4.35Å; M61-M80 HydrophobicContact CG-SD 4.48Å; T69-M80 HydrophobicContact CG2-CE 3.81Å; T69-M80 HydrophobicContact CG2-SD 3.93Å; T76-M80 HydrophobicContact CG2-CE 3.73Å; T76-M80 HydrophobicContact CG2-SD 4.19Å; T76-M80 WeakPolarHBondContact O-CG 3.44Å; T76-M80 PolarHBondContact O-N 3.46Å; T76-M80 VanDerWaalsContact O-N 3.1Å; I77-M80 PolarHBondContact O-N 3.45Å; L78-M80 VanDerWaalsContact C-N 3.3Å; L78-M80 PolarHBondContact O-N 3.09Å
81	M	86.6	Confident	88.7	Confident	51 Å²	51	40.2 Å²	40.2	25%	0.251	21%	0.212	S	C	.	.	S	Bend	trans	-78.6	125	179.5	-170.7	176.5	-71.3	0	0	110	T47 M61 I77 L78 V83	T47-M81 HydrophobicContact CG2-CE 4.07Å; M61-M81 HydrophobicContact CE-CB 4.1Å; I77-M81 HydrophobicContact CG2-CE 4.42Å; I77-M81 WeakPolarHBondContact O-CB 3.36Å; I77-M81 PolarHBondContact O-N 2.91Å; I77-M81 VanDerWaalsContact O-N 3.11Å; L78-M81 PolarHBondContact O-N 2.85Å; M81-V83 HydrophobicContact CG-CG1 4.06Å; M81-V83 PolarHBondContact O-N 2.75Å; M81-V83 VanDerWaalsContact O-N 3.1Å; M81-V83 HydrophobicContact SD-CG1 4.17Å
82	D	85.4	Confident	89	Confident	110 Å²	110	41.4 Å²	41.4	59%	0.588	22%	0.219	S	C	*	.			trans	-75.5	101.3	174.9	-151.3	-0.5	0	0	0	109.4	R64	R64-D82 IonicContact CZ-OD2 3.75Å; R64-D82 IonicContact NE-OD2 3.16Å; R64-D82 IonicContact NH2-OD1 3.42Å; R64-D82 PolarHBondContact NH2-OD1 2.83Å; R64-D82 IonicContact NH2-OD2 3.16Å; R64-D82 PolarHBondContact NH2-OD2 3.19Å
83	V	85.3	Confident	89.3	Confident	24 Å²	24	46.7 Å²	46.7	15%	0.145	24%	0.244	C	C	.	.			trans	-107.4	111.8	-176.2	-79.8	0	0	0	0	111.4	M81 A88 K89 V92	M81-V83 HydrophobicContact CG-CG1 4.06Å; M81-V83 PolarHBondContact O-N 2.75Å; M81-V83 VanDerWaalsContact O-N 3.1Å; M81-V83 HydrophobicContact SD-CG1 4.17Å; V83-A88 HydrophobicContact CB-CB 3.86Å; V83-A88 HydrophobicContact CG1-CB 3.76Å; V83-K89 HydrophobicContact CG2-CG 3.94Å; V83-K89 WeakPolarHBondContact O-CE 3.36Å; V83-V92 HydrophobicContact CG2-CG2 3.73Å
84	D	85	Confident	89.6	Confident	139 Å²	139	46.7 Å²	46.7	74%	0.743	24%	0.243	S	C	*	.			trans	-77.5	-40.4	177.7	-65.5	-39.7	0	0	0	112.4	Q86	D84-Q86 PolarHBondContact O-N 2.79Å
85	H	87.1	Confident	89.9	Confident	63 Å²	63	46.7 Å²	46.7	29%	0.292	24%	0.243	S	C	.	.	S	Bend	trans	-71	130.1	-173.1	-165.3	-82.6	0	0	0	111.6	H37 A40 I87 A88 K89	H37-H85 AromaticContact ND1-CE1 3.59Å; A40-H85 HydrophobicContact CB-CB 4.21Å; A40-H85 VanDerWaalsContact CB-ND1 3.31Å; A40-H85 WeakPolarHBondContact CB-ND1 3.48Å; H85-I87 VanDerWaalsContact C-N 3.29Å; H85-I87 VanDerWaalsContact CE1-CG1 3.45Å; H85-I87 WeakPolarHBondContact CE1-CG1 3.37Å; H85-I87 WeakPolarHBondContact ND1-CB 3.19Å; H85-I87 PolarHBondContact ND1-N 2.86Å; H85-I87 PolarHBondContact O-N 2.96Å; H85-A88 HydrophobicContact CB-CB 4.27Å; H85-A88 WeakPolarHBondContact O-CA 3.32Å; H85-A88 WeakPolarHBondContact O-CB 3.32Å; H85-A88 PolarHBondContact O-N 2.97Å; H85-K89 PolarHBondContact O-N 2.89Å; H85-K89 VanDerWaalsContact O-N 3.12Å
86	Q	87.9	Confident	90	Very high	128 Å²	128	52.1 Å²	52.1	60%	0.598	27%	0.265	S	S	*	.	H	α-helix	trans	-59.7	-37.2	-174.5	-63.2	-62.9	-28	0	0	113.2	D84 A88 K89 L90	D84-Q86 PolarHBondContact O-N 2.79Å; Q86-A88 VanDerWaalsContact C-N 3.31Å; Q86-A88 PolarHBondContact O-N 2.85Å; Q86-K89 WeakPolarHBondContact O-CB 3.47Å; Q86-K89 PolarHBondContact O-N 2.93Å; Q86-L90 PolarHBondContact O-N 2.88Å
87	I	90.6	Very high	90.3	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-34.8	175.5	-54.4	-58.3	0	0	0	111.7	H37 A41 H85 K89 L90 M91 I527 I530	H37-I87 HydrophobicContact CB-CD1 4.25Å; H37-I87 HydrophobicContact CB-CG1 3.75Å; H37-I87 VanDerWaalsContact ND1-CG1 3.26Å; H37-I87 WeakPolarHBondContact ND1-CG1 3.39Å; A41-I87 HydrophobicContact CB-CG2 4.05Å; H85-I87 VanDerWaalsContact C-N 3.29Å; H85-I87 VanDerWaalsContact CE1-CG1 3.45Å; H85-I87 WeakPolarHBondContact CE1-CG1 3.37Å; H85-I87 WeakPolarHBondContact ND1-CB 3.19Å; H85-I87 PolarHBondContact ND1-N 2.86Å; H85-I87 PolarHBondContact O-N 2.96Å; I87-K89 VanDerWaalsContact C-N 3.32Å; I87-L90 HydrophobicContact CD1-CD1 4.03Å; I87-L90 WeakPolarHBondContact O-CB 3.41Å; I87-L90 PolarHBondContact O-N 3.18Å; I87-M91 WeakPolarHBondContact O-CG 3.22Å; I87-M91 PolarHBondContact O-N 2.89Å; I87-I527 HydrophobicContact CD1-CG1 4.18Å; I87-I527 HydrophobicContact CD1-CG2 4.14Å; I87-I527 HydrophobicContact CG2-CD1 3.69Å; I87-I527 HydrophobicContact CG2-CG1 4.16Å; I87-I527 HydrophobicContact CG2-CG2 4.36Å; I87-I530 HydrophobicContact CD1-CD1 4.07Å
88	A	90.4	Very high	90.4	Very high	5 Å²	5	53.7 Å²	53.7	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-39.8	175.2	0	0	0	0	0	110.4	V44 V83 H85 Q86 L90 M91 V92	V44-A88 HydrophobicContact CG2-CB 3.76Å; V83-A88 HydrophobicContact CB-CB 3.86Å; V83-A88 HydrophobicContact CG1-CB 3.76Å; H85-A88 HydrophobicContact CB-CB 4.27Å; H85-A88 WeakPolarHBondContact O-CA 3.32Å; H85-A88 WeakPolarHBondContact O-CB 3.32Å; H85-A88 PolarHBondContact O-N 2.97Å; Q86-A88 VanDerWaalsContact C-N 3.31Å; Q86-A88 PolarHBondContact O-N 2.85Å; A88-L90 VanDerWaalsContact C-N 3.31Å; A88-L90 PolarHBondContact O-N 3.38Å; A88-M91 WeakPolarHBondContact O-CA 3.27Å; A88-M91 WeakPolarHBondContact O-CB 3.39Å; A88-M91 PolarHBondContact O-N 2.94Å; A88-V92 WeakPolarHBondContact O-CG2 3.3Å; A88-V92 PolarHBondContact O-N 3.03Å
89	K	91.4	Very high	90.5	Very high	86 Å²	86	55 Å²	55	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-41.2	171.8	-61.2	-176.4	-179.3	-177.5	0	112.4	V83 H85 Q86 I87 M91 V92 E93	V83-K89 HydrophobicContact CG2-CG 3.94Å; V83-K89 WeakPolarHBondContact O-CE 3.36Å; H85-K89 PolarHBondContact O-N 2.89Å; H85-K89 VanDerWaalsContact O-N 3.12Å; Q86-K89 WeakPolarHBondContact O-CB 3.47Å; Q86-K89 PolarHBondContact O-N 2.93Å; I87-K89 VanDerWaalsContact C-N 3.32Å; K89-M91 VanDerWaalsContact C-N 3.3Å; K89-M91 PolarHBondContact O-N 3.33Å; K89-V92 WeakPolarHBondContact O-CB 3.43Å; K89-V92 PolarHBondContact O-N 3.31Å; K89-V92 VanDerWaalsContact O-N 3.14Å; K89-E93 PolarHBondContact O-N 3.07Å
90	L	92.5	Very high	90.5	Very high	34 Å²	34	56.4 Å²	56.4	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-36.2	173.4	-69.8	174.8	0	0	0	112.7	Q86 I87 A88 V92 E93 L94 M526 I527	Q86-L90 PolarHBondContact O-N 2.88Å; I87-L90 HydrophobicContact CD1-CD1 4.03Å; I87-L90 WeakPolarHBondContact O-CB 3.41Å; I87-L90 PolarHBondContact O-N 3.18Å; A88-L90 VanDerWaalsContact C-N 3.31Å; A88-L90 PolarHBondContact O-N 3.38Å; L90-V92 VanDerWaalsContact C-N 3.35Å; L90-E93 PolarHBondContact O-N 3.26Å; L90-L94 WeakPolarHBondContact O-CB 3.29Å; L90-L94 PolarHBondContact O-N 3.44Å; L90-M526 HydrophobicContact CD1-CE 3.77Å; L90-M526 HydrophobicContact CD2-CE 3.49Å; L90-M526 VanDerWaalsContact CD2-CE 3.49Å; L90-M526 HydrophobicContact CG-CE 4.14Å; L90-I527 HydrophobicContact CD1-CG1 4.44Å
91	M	92.4	Very high	90.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.1	-32.9	174.4	-58.7	-64.6	-75.1	0	0	112	A41 V44 I87 A88 K89 L94 S95 V110 A113 V523 I527	A41-M91 HydrophobicContact CB-CG 4.42Å; A41-M91 HydrophobicContact CB-SD 4.35Å; V44-M91 HydrophobicContact CG1-CB 4.23Å; I87-M91 WeakPolarHBondContact O-CG 3.22Å; I87-M91 PolarHBondContact O-N 2.89Å; A88-M91 WeakPolarHBondContact O-CA 3.27Å; A88-M91 WeakPolarHBondContact O-CB 3.39Å; A88-M91 PolarHBondContact O-N 2.94Å; K89-M91 VanDerWaalsContact C-N 3.3Å; K89-M91 PolarHBondContact O-N 3.33Å; M91-L94 HydrophobicContact CE-CD2 4.41Å; M91-L94 WeakPolarHBondContact O-CB 3.44Å; M91-L94 PolarHBondContact O-N 3.06Å; M91-L94 HydrophobicContact SD-CD2 4.27Å; M91-S95 PolarHBondContact O-N 3.25Å; M91-S95 VanDerWaalsContact O-N 3.1Å; M91-V110 HydrophobicContact CE-CB 4.36Å; M91-V110 HydrophobicContact CE-CG1 3.7Å; M91-V110 WeakPolarHBondContact CE-O 3.27Å; M91-A113 HydrophobicContact CE-CB 3.66Å; M91-A113 HydrophobicContact SD-CB 4.27Å; M91-V523 HydrophobicContact SD-CG1 4.24Å; M91-I527 HydrophobicContact SD-CD1 4.48Å
92	V	93.3	Very high	90.6	Very high	26 Å²	26	55.1 Å²	55.1	16%	0.158	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-49	171.6	-178.3	0	0	0	0	110.1	L78 V83 A88 K89 L90 L94 S95 K96	L78-V92 HydrophobicContact CB-CB 4.36Å; L78-V92 HydrophobicContact CB-CG1 4.2Å; L78-V92 HydrophobicContact CB-CG2 4.04Å; V83-V92 HydrophobicContact CG2-CG2 3.73Å; A88-V92 WeakPolarHBondContact O-CG2 3.3Å; A88-V92 PolarHBondContact O-N 3.03Å; K89-V92 WeakPolarHBondContact O-CB 3.43Å; K89-V92 PolarHBondContact O-N 3.31Å; K89-V92 VanDerWaalsContact O-N 3.14Å; L90-V92 VanDerWaalsContact C-N 3.35Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 3.31Å; V92-S95 PolarHBondContact O-N 3.08Å; V92-K96 WeakPolarHBondContact O-CB 3.47Å; V92-K96 PolarHBondContact O-N 3.34Å
93	E	92.8	Very high	90.6	Very high	120 Å²	120	49.9 Å²	49.9	56%	0.561	25%	0.25	S	C	*	.	H	α-helix	trans	-63.3	-36.7	178.5	-70.2	177.1	179.1	0	0	112.6	K89 L90 K96 S97	K89-E93 PolarHBondContact O-N 3.07Å; L90-E93 PolarHBondContact O-N 3.26Å; E93-K96 PolarHBondContact O-N 2.98Å; E93-S97 WeakPolarHBondContact O-CB 3.43Å; E93-S97 PolarHBondContact O-N 2.8Å; E93-S97 PolarHBondContact O-OG 3.47Å
94	L	94.4	Very high	90.6	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-51.6	173.2	173.1	57.8	0	0	0	111.6	L90 M91 V92 K96 S97 Q98 V109 A113 L519 V523	L90-L94 WeakPolarHBondContact O-CB 3.29Å; L90-L94 PolarHBondContact O-N 3.44Å; M91-L94 HydrophobicContact CE-CD2 4.41Å; M91-L94 WeakPolarHBondContact O-CB 3.44Å; M91-L94 PolarHBondContact O-N 3.06Å; M91-L94 HydrophobicContact SD-CD2 4.27Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 3.31Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 3.2Å; L94-S97 PolarHBondContact O-N 2.78Å; L94-Q98 PolarHBondContact O-N 3.36Å; L94-Q98 VanDerWaalsContact O-N 3.17Å; L94-V109 HydrophobicContact CD1-CG2 3.68Å; L94-V109 HydrophobicContact CD2-CG2 4.16Å; L94-V109 HydrophobicContact CG-CG1 4.27Å; L94-V109 HydrophobicContact CG-CG2 3.95Å; L94-A113 HydrophobicContact CD2-CB 3.79Å; L94-L519 HydrophobicContact CD1-CB 3.58Å; L94-V523 HydrophobicContact CB-CG2 4.11Å; L94-V523 HydrophobicContact CD1-CB 4.49Å; L94-V523 HydrophobicContact CD1-CG2 3.75Å; L94-V523 HydrophobicContact CD2-CB 4.12Å; L94-V523 HydrophobicContact CD2-CG1 4.18Å; L94-V523 HydrophobicContact CD2-CG2 4.09Å; L94-V523 HydrophobicContact CG-CG2 4.19Å
95	S	94.2	Very high	90.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-42.9	179.8	-167.2	0	0	0	0	111.5	A75 M91 V92 S97 Q98 D99 T106	A75-S95 VanDerWaalsContact CA-OG 3.24Å; A75-S95 WeakPolarHBondContact CA-OG 3.49Å; A75-S95 PolarHBondContact N-OG 3.06Å; M91-S95 PolarHBondContact O-N 3.25Å; M91-S95 VanDerWaalsContact O-N 3.1Å; V92-S95 PolarHBondContact O-N 3.08Å; S95-S97 PolarHBondContact O-N 2.87Å; S95-Q98 WeakPolarHBondContact O-CB 3.49Å; S95-Q98 PolarHBondContact O-N 2.91Å; S95-D99 PolarHBondContact O-N 2.91Å; S95-D99 VanDerWaalsContact O-N 3.08Å; S95-T106 PolarHBondContact OG-O 2.92Å
96	K	93.1	Very high	91.1	Very high	124 Å²	124	41.4 Å²	41.4	54%	0.539	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-40.2	176.5	-172.8	178.5	178.8	-179.5	0	112.8	V92 E93 L94 Q98 D99 D100	V92-K96 WeakPolarHBondContact O-CB 3.47Å; V92-K96 PolarHBondContact O-N 3.34Å; E93-K96 PolarHBondContact O-N 2.98Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 3.2Å; K96-Q98 VanDerWaalsContact C-N 3.29Å; K96-Q98 PolarHBondContact O-N 2.68Å; K96-D99 WeakPolarHBondContact O-CB 3.3Å; K96-D99 PolarHBondContact O-N 3.4Å; K96-D99 VanDerWaalsContact O-N 3.17Å; K96-D100 PolarHBondContact O-N 2.89Å
97	S	94.1	Very high	91.3	Very high	51 Å²	51	36.2 Å²	36.2	36%	0.357	19%	0.185	S	C	.	.	H	α-helix	trans	-64	-37.1	177.9	-57.3	0	0	0	0	111.8	E93 L94 S95 E101	E93-S97 WeakPolarHBondContact O-CB 3.43Å; E93-S97 PolarHBondContact O-N 2.8Å; E93-S97 PolarHBondContact O-OG 3.47Å; L94-S97 PolarHBondContact O-N 2.78Å; S95-S97 PolarHBondContact O-N 2.87Å; S97-E101 WeakPolarHBondContact O-CB 3.36Å; S97-E101 WeakPolarHBondContact O-CG 3.4Å; S97-E101 PolarHBondContact O-N 3.04Å
98	Q	93.3	Very high	91.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-38.9	173.8	179.5	66	30.7	0	0	111.7	L94 S95 K96 I102 G103 D104 V109 L519	L94-Q98 PolarHBondContact O-N 3.36Å; L94-Q98 VanDerWaalsContact O-N 3.17Å; S95-Q98 WeakPolarHBondContact O-CB 3.49Å; S95-Q98 PolarHBondContact O-N 2.91Å; K96-Q98 VanDerWaalsContact C-N 3.29Å; K96-Q98 PolarHBondContact O-N 2.68Å; Q98-I102 WeakPolarHBondContact O-CB 3.44Å; Q98-I102 PolarHBondContact O-N 3.38Å; Q98-G103 PolarHBondContact O-N 3.15Å; Q98-G103 VanDerWaalsContact O-N 3.14Å; Q98-D104 PolarHBondContact NE2-O 3.46Å; Q98-V109 HydrophobicContact CB-CG1 3.95Å; Q98-V109 HydrophobicContact CG-CB 4.49Å; Q98-V109 HydrophobicContact CG-CG1 4.09Å; Q98-L519 HydrophobicContact CB-CD1 4.2Å
99	D	92.1	Very high	91.7	Very high	31 Å²	31	36.1 Å²	36.1	17%	0.166	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-49.2	176.2	-165.7	35.5	0	0	0	111.8	A75 S95 K96 E101 G103 T106	A75-D99 HydrophobicContact CB-CB 3.92Å; S95-D99 PolarHBondContact O-N 2.91Å; S95-D99 VanDerWaalsContact O-N 3.08Å; K96-D99 WeakPolarHBondContact O-CB 3.3Å; K96-D99 PolarHBondContact O-N 3.4Å; K96-D99 VanDerWaalsContact O-N 3.17Å; D99-E101 VanDerWaalsContact C-N 3.33Å; D99-E101 PolarHBondContact O-N 3.36Å; D99-G103 WeakPolarHBondContact O-CA 2.93Å; D99-G103 PolarHBondContact O-N 3.43Å; D99-T106 HydrophobicContact CB-CG2 3.73Å
100	D	89.7	Confident	91.9	Very high	110 Å²	110	32 Å²	32	59%	0.588	17%	0.168	S	C	*	.	H	α-helix	trans	-64.1	-34.6	-178.6	-71.8	-28.9	0	0	0	112.9	K96	K96-D100 PolarHBondContact O-N 2.89Å
101	E	87.1	Confident	92	Very high	94 Å²	94	30.7 Å²	30.7	44%	0.439	16%	0.161	S	C	.	.	H	α-helix	trans	-88.2	-47.9	-177.8	-71.6	-170.8	158.6	0	0	113.9	S97 D99 Q515	S97-E101 WeakPolarHBondContact O-CB 3.36Å; S97-E101 WeakPolarHBondContact O-CG 3.4Å; S97-E101 PolarHBondContact O-N 3.04Å; D99-E101 VanDerWaalsContact C-N 3.33Å; D99-E101 PolarHBondContact O-N 3.36Å; E101-Q515 WeakPolarHBondContact OE2-CG 3.19Å; E101-Q515 PolarHBondContact OE2-NE2 3.49Å
102	I	90.1	Very high	92.2	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-34.8	-171.1	-56.5	-59.3	0	0	0	111.5	Q98 D104 C407 N411 H511 Q515	Q98-I102 WeakPolarHBondContact O-CB 3.44Å; Q98-I102 PolarHBondContact O-N 3.38Å; I102-D104 PolarHBondContact O-N 3.3Å; I102-C407 VanDerWaalsContact O-CB 3.22Å; I102-C407 WeakPolarHBondContact O-CB 3.26Å; I102-N411 WeakPolarHBondContact CG2-ND2 3.48Å; I102-N411 PolarHBondContact O-ND2 3.15Å; I102-H511 WeakPolarHBondContact CD1-CD2 3.24Å; I102-H511 WeakPolarHBondContact CD1-NE2 3.31Å; I102-Q515 HydrophobicContact CD1-CB 4.02Å; I102-Q515 HydrophobicContact CD1-CG 4.27Å; I102-Q515 HydrophobicContact CG1-CB 3.9Å; I102-Q515 HydrophobicContact CG1-CG 3.99Å
103	G	85.7	Confident	92.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	74.7	0.3	-176.3	0	0	0	0	0	115.7	Q98 D99 D404	Q98-G103 PolarHBondContact O-N 3.15Å; Q98-G103 VanDerWaalsContact O-N 3.14Å; D99-G103 WeakPolarHBondContact O-CA 2.93Å; D99-G103 PolarHBondContact O-N 3.43Å; G103-D404 WeakPolarHBondContact O-CA 3.08Å; G103-D404 WeakPolarHBondContact O-CB 3.42Å
104	D	86.6	Confident	92.5	Very high	37 Å²	37	24 Å²	24	20%	0.198	13%	0.128	C	C	.	.	S	Bend	trans	-140.7	156.1	175.7	-175	27.6	0	0	0	110.5	Q98 I102 V408	Q98-D104 PolarHBondContact NE2-O 3.46Å; I102-D104 PolarHBondContact O-N 3.3Å; D104-V408 HydrophobicContact CB-CG2 3.55Å
105	G	88.8	Confident	92.6	Very high	9 Å²	9	23.9 Å²	23.9	9%	0.093	13%	0.129	C	C	.	.			trans	79.7	23.8	-179.4	0	0	0	0	0	115.2	T107 G108 V109	G105-T107 VanDerWaalsContact C-N 3.3Å; G105-T107 PolarHBondContact O-N 3.22Å; G105-G108 PolarHBondContact O-N 3.2Å; G105-V109 PolarHBondContact O-N 2.92Å
106	T	92.4	Very high	92.8	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-57.5	-40.7	174.7	58.1	0	0	0	0	112	D73 G74 A75 S95 D99 V109	D73-T106 PolarHBondContact OD1-OG1 3Å; G74-T106 PolarHBondContact N-OG1 3.32Å; A75-T106 HydrophobicContact CB-CG2 3.75Å; S95-T106 PolarHBondContact OG-O 2.92Å; D99-T106 HydrophobicContact CB-CG2 3.73Å; T106-V109 WeakPolarHBondContact O-CG1 3.29Å
107	T	92.7	Very high	92.9	Very high	19 Å²	19	18 Å²	18	12%	0.117	10%	0.103	C	C	.	.	H	α-helix	trans	-70.6	-45.1	173.2	36.1	0	0	0	0	112.5	L48 G105 V109 V110 V111	L48-T107 HydrophobicContact CD2-CG2 4.37Å; G105-T107 VanDerWaalsContact C-N 3.3Å; G105-T107 PolarHBondContact O-N 3.22Å; T107-V109 PolarHBondContact O-N 3.32Å; T107-V110 PolarHBondContact O-N 3.13Å; T107-V111 WeakPolarHBondContact O-CG2 3.35Å; T107-V111 PolarHBondContact O-N 2.68Å; T107-V111 VanDerWaalsContact O-N 3.08Å
108	G	92.8	Very high	92.9	Very high	6 Å²	6	18.9 Å²	18.9	6%	0.062	10%	0.101	C	C	.	.	H	α-helix	trans	-60.5	-42.4	-176.5	0	0	0	0	0	113.4	G105 V110 V111 L112	G105-G108 PolarHBondContact O-N 3.2Å; G108-V110 VanDerWaalsContact C-N 3.33Å; G108-V110 PolarHBondContact O-N 2.98Å; G108-V111 PolarHBondContact O-N 3.41Å; G108-L112 WeakPolarHBondContact O-CB 3.47Å; G108-L112 PolarHBondContact O-N 3.29Å
109	V	95.7	Very high	93	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-37.3	-179.8	69.4	0	0	0	0	112.3	L94 Q98 G105 T106 T107 A113 Q516 L519 A520	L94-V109 HydrophobicContact CD1-CG2 3.68Å; L94-V109 HydrophobicContact CD2-CG2 4.16Å; L94-V109 HydrophobicContact CG-CG1 4.27Å; L94-V109 HydrophobicContact CG-CG2 3.95Å; Q98-V109 HydrophobicContact CB-CG1 3.95Å; Q98-V109 HydrophobicContact CG-CB 4.49Å; Q98-V109 HydrophobicContact CG-CG1 4.09Å; G105-V109 PolarHBondContact O-N 2.92Å; T106-V109 WeakPolarHBondContact O-CG1 3.29Å; T107-V109 PolarHBondContact O-N 3.32Å; V109-A113 WeakPolarHBondContact O-CB 3.35Å; V109-A113 PolarHBondContact O-N 3Å; V109-Q516 HydrophobicContact CB-CG 4.42Å; V109-L519 HydrophobicContact CG2-CB 4.11Å; V109-A520 HydrophobicContact CG2-CB 4.1Å
110	V	95.9	Very high	93.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-73	-41.3	179.3	174.2	0	0	0	0	111.3	V44 L48 L78 M91 T107 G108 L112 A113 G114	V44-V110 HydrophobicContact CG1-CG1 4.11Å; L48-V110 HydrophobicContact CD1-CB 3.9Å; L48-V110 HydrophobicContact CD1-CG1 3.68Å; L48-V110 HydrophobicContact CD1-CG2 4.19Å; L78-V110 HydrophobicContact CD1-CG1 4.43Å; L78-V110 HydrophobicContact CD1-CG2 3.8Å; M91-V110 HydrophobicContact CE-CB 4.36Å; M91-V110 HydrophobicContact CE-CG1 3.7Å; M91-V110 WeakPolarHBondContact CE-O 3.27Å; T107-V110 PolarHBondContact O-N 3.13Å; G108-V110 VanDerWaalsContact C-N 3.33Å; G108-V110 PolarHBondContact O-N 2.98Å; V110-L112 VanDerWaalsContact C-N 3.35Å; V110-A113 PolarHBondContact O-N 3.36Å; V110-G114 PolarHBondContact O-N 3.49Å
111	V	96.1	Very high	93.3	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.03	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-43.3	175.6	173.8	0	0	0	0	110.6	R49 T107 G108 G114 A115 V457	R49-V111 HydrophobicContact CB-CG2 4.48Å; T107-V111 WeakPolarHBondContact O-CG2 3.35Å; T107-V111 PolarHBondContact O-N 2.68Å; T107-V111 VanDerWaalsContact O-N 3.08Å; G108-V111 PolarHBondContact O-N 3.41Å; V111-G114 PolarHBondContact O-N 3.01Å; V111-A115 WeakPolarHBondContact O-CB 3.27Å; V111-A115 PolarHBondContact O-N 2.82Å; V111-V457 HydrophobicContact CG1-CG1 4.19Å
112	L	96.4	Very high	93.6	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-46.1	177	-176.9	58.8	0	0	0	112.2	G108 V110 G114 A115 L116 L455 I458 I517 A520	G108-L112 WeakPolarHBondContact O-CB 3.47Å; G108-L112 PolarHBondContact O-N 3.29Å; V110-L112 VanDerWaalsContact C-N 3.35Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 3.23Å; L112-A115 PolarHBondContact O-N 3.34Å; L112-L116 HydrophobicContact CD1-CD1 4.47Å; L112-L116 HydrophobicContact CD1-CG 4.48Å; L112-L116 HydrophobicContact CG-CD1 4.2Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.4Å; L112-L455 HydrophobicContact CD1-CD2 3.93Å; L112-L455 HydrophobicContact CD2-CD2 4.46Å; L112-I458 HydrophobicContact CB-CD1 4.24Å; L112-I458 HydrophobicContact CD1-CD1 4.35Å; L112-I517 HydrophobicContact CD2-CG1 4.26Å; L112-A520 HydrophobicContact CB-CB 4.19Å; L112-A520 HydrophobicContact CD2-CB 3.85Å; L112-A520 HydrophobicContact CG-CB 3.94Å
113	A	96.4	Very high	93.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-39.5	177.4	0	0	0	0	0	112.1	M91 L94 V109 V110 L116 L117 A520 V524	M91-A113 HydrophobicContact CE-CB 3.66Å; M91-A113 HydrophobicContact SD-CB 4.27Å; L94-A113 HydrophobicContact CD2-CB 3.79Å; V109-A113 WeakPolarHBondContact O-CB 3.35Å; V109-A113 PolarHBondContact O-N 3Å; V110-A113 PolarHBondContact O-N 3.36Å; A113-L116 PolarHBondContact O-N 2.89Å; A113-L117 WeakPolarHBondContact O-CG 3.33Å; A113-L117 PolarHBondContact O-N 3.23Å; A113-L117 VanDerWaalsContact O-N 3.14Å; A113-A520 HydrophobicContact CB-CB 4.09Å; A113-V524 HydrophobicContact CB-CG2 4.31Å
114	G	96.1	Very high	94.2	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-44.2	173.9	0	0	0	0	0	113	V110 V111 L112 L117 E118	V110-G114 PolarHBondContact O-N 3.49Å; V111-G114 PolarHBondContact O-N 3.01Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 3.23Å; G114-L117 PolarHBondContact O-N 3.42Å; G114-E118 PolarHBondContact O-N 3.03Å
115	A	96.2	Very high	94.4	Very high	5 Å²	5	19 Å²	19	4%	0.041	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-43.5	176.6	0	0	0	0	0	112.2	V111 L112 L117 E118 E119 A454 V457	V111-A115 WeakPolarHBondContact O-CB 3.27Å; V111-A115 PolarHBondContact O-N 2.82Å; L112-A115 PolarHBondContact O-N 3.34Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 3.29Å; A115-E118 PolarHBondContact O-N 3.25Å; A115-E119 PolarHBondContact O-N 3.18Å; A115-A454 HydrophobicContact CB-CB 3.99Å; A115-V457 HydrophobicContact CB-CB 3.86Å; A115-V457 HydrophobicContact CB-CG1 4.09Å; A115-V457 HydrophobicContact CB-CG2 3.72Å
116	L	96.7	Very high	94.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-36.6	177	-75	169.6	0	0	0	112.8	L112 A113 A120 Y137 F451 A454 A520 V524	L112-L116 HydrophobicContact CD1-CD1 4.47Å; L112-L116 HydrophobicContact CD1-CG 4.48Å; L112-L116 HydrophobicContact CG-CD1 4.2Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.4Å; A113-L116 PolarHBondContact O-N 2.89Å; L116-A120 VanDerWaalsContact O-CB 3.28Å; L116-A120 WeakPolarHBondContact O-CB 3.11Å; L116-A120 PolarHBondContact O-N 2.99Å; L116-Y137 HydrophobicContact CB-CE2 4.18Å; L116-Y137 HydrophobicContact CD2-CD2 4.33Å; L116-Y137 HydrophobicContact CD2-CE2 4.09Å; L116-Y137 WeakPolarHBondContact O-CE2 3.43Å; L116-Y137 PolarHBondContact O-OH 2.8Å; L116-F451 HydrophobicContact CD1-CD2 4.48Å; L116-F451 HydrophobicContact CD1-CE2 4.11Å; L116-F451 HydrophobicContact CD2-CB 4.35Å; L116-F451 HydrophobicContact CD2-CD2 3.33Å; L116-F451 HydrophobicContact CD2-CE2 3.76Å; L116-F451 HydrophobicContact CD2-CG 4Å; L116-A454 HydrophobicContact CD2-CB 3.59Å; L116-A454 HydrophobicContact CG-CB 3.92Å; L116-A520 HydrophobicContact CD1-CB 4.37Å; L116-V524 HydrophobicContact CB-CG1 4.3Å; L116-V524 HydrophobicContact CB-CG2 3.65Å; L116-V524 HydrophobicContact CD1-CG2 3.97Å; L116-V524 HydrophobicContact CG-CG2 4.48Å
117	L	95.8	Very high	94.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72	-39.8	176.2	-74.4	168.6	0	0	0	112.2	I38 A41 A113 G114 A115 A120 E121 V524 I527 L528	I38-L117 HydrophobicContact CG1-CB 4.17Å; I38-L117 HydrophobicContact CG1-CD2 4.19Å; I38-L117 HydrophobicContact CG2-CB 4.14Å; I38-L117 WeakPolarHBondContact CG2-O 3.29Å; A41-L117 HydrophobicContact CB-CD1 3.33Å; A113-L117 WeakPolarHBondContact O-CG 3.33Å; A113-L117 PolarHBondContact O-N 3.23Å; A113-L117 VanDerWaalsContact O-N 3.14Å; G114-L117 PolarHBondContact O-N 3.42Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 3.29Å; L117-A120 WeakPolarHBondContact O-CB 3.48Å; L117-A120 PolarHBondContact O-N 3.15Å; L117-E121 PolarHBondContact O-N 2.93Å; L117-V524 HydrophobicContact CD2-CG1 3.99Å; L117-V524 HydrophobicContact CD2-CG2 4.49Å; L117-V524 HydrophobicContact CG-CG1 4.39Å; L117-V524 HydrophobicContact CG-CG2 4.15Å; L117-I527 HydrophobicContact CD1-CD1 3.77Å; L117-I527 HydrophobicContact CD2-CB 4.24Å; L117-I527 HydrophobicContact CD2-CD1 4.5Å; L117-I527 HydrophobicContact CD2-CG2 3.96Å; L117-L528 HydrophobicContact CD2-CD2 4.46Å; L117-L528 HydrophobicContact CD2-CG 4.5Å
118	E	95.3	Very high	94.4	Very high	69 Å²	69	30.4 Å²	30.4	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-62.8	-44.3	174.8	178.1	164	-158	0	0	111.6	K42 G114 A115 A120 E121 Q122	K42-E118 WeakPolarHBondContact CE-OE1 3.36Å; K42-E118 VanDerWaalsContact NZ-CD 3.34Å; K42-E118 IonicContact NZ-OE1 4Å; K42-E118 PolarHBondContact NZ-OE1 3.43Å; K42-E118 IonicContact NZ-OE2 3.08Å; G114-E118 PolarHBondContact O-N 3.03Å; A115-E118 PolarHBondContact O-N 3.25Å; E118-A120 VanDerWaalsContact C-N 3.31Å; E118-A120 PolarHBondContact O-N 3.48Å; E118-E121 WeakPolarHBondContact O-CB 3.28Å; E118-E121 PolarHBondContact O-N 2.83Å; E118-Q122 PolarHBondContact O-N 3.48Å
119	E	95	Very high	94.4	Very high	32 Å²	32	35 Å²	35	15%	0.15	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-33.5	174.6	-72.2	-57.6	138.2	0	0	112.2	A115 E121 Q122 L123 A454	A115-E119 PolarHBondContact O-N 3.18Å; E119-E121 VanDerWaalsContact C-N 3.32Å; E119-E121 PolarHBondContact O-N 3.19Å; E119-Q122 PolarHBondContact O-N 2.86Å; E119-Q122 PolarHBondContact OE1-NE2 3.1Å; E119-L123 PolarHBondContact O-N 2.93Å; E119-A454 HydrophobicContact CG-CB 4.26Å
120	A	94.4	Very high	94.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-35.1	173.6	0	0	0	0	0	112	L116 L117 E118 Q122 L123 L124 I133 Y137 L528	L116-A120 VanDerWaalsContact O-CB 3.28Å; L116-A120 WeakPolarHBondContact O-CB 3.11Å; L116-A120 PolarHBondContact O-N 2.99Å; L117-A120 WeakPolarHBondContact O-CB 3.48Å; L117-A120 PolarHBondContact O-N 3.15Å; E118-A120 VanDerWaalsContact C-N 3.31Å; E118-A120 PolarHBondContact O-N 3.48Å; A120-Q122 VanDerWaalsContact C-N 3.32Å; A120-Q122 PolarHBondContact O-N 2.99Å; A120-L123 PolarHBondContact O-N 3.22Å; A120-L124 VanDerWaalsContact O-CG 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.27Å; A120-L124 PolarHBondContact O-N 3.32Å; A120-I133 HydrophobicContact CB-CG2 4.15Å; A120-Y137 HydrophobicContact CB-CE2 4.22Å; A120-Y137 PolarHBondContact N-OH 3.48Å; A120-L528 HydrophobicContact CB-CD1 4.29Å; A120-L528 HydrophobicContact CB-CD2 4.13Å
121	E	94.1	Very high	94	Very high	52 Å²	52	40.2 Å²	40.2	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-45.2	174.8	-166.3	176.9	-172.9	0	0	111.5	I38 L117 E118 E119 L123 L124 D125	I38-E121 HydrophobicContact CD1-CB 3.93Å; I38-E121 HydrophobicContact CD1-CG 4.35Å; I38-E121 HydrophobicContact CG2-CB 4.25Å; L117-E121 PolarHBondContact O-N 2.93Å; E118-E121 WeakPolarHBondContact O-CB 3.28Å; E118-E121 PolarHBondContact O-N 2.83Å; E119-E121 VanDerWaalsContact C-N 3.32Å; E119-E121 PolarHBondContact O-N 3.19Å; E121-L123 VanDerWaalsContact C-N 3.27Å; E121-L123 PolarHBondContact O-N 2.86Å; E121-L124 WeakPolarHBondContact O-CB 3.18Å; E121-L124 PolarHBondContact O-N 2.75Å; E121-L124 VanDerWaalsContact O-N 3.16Å; E121-D125 PolarHBondContact O-N 3.36Å
122	Q	93.6	Very high	93.8	Very high	84 Å²	84	46.8 Å²	46.8	39%	0.393	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-36.6	178.2	-59.7	-177.7	33.8	0	0	112.1	E118 E119 A120 R126	E118-Q122 PolarHBondContact O-N 3.48Å; E119-Q122 PolarHBondContact O-N 2.86Å; E119-Q122 PolarHBondContact OE1-NE2 3.1Å; A120-Q122 VanDerWaalsContact C-N 3.32Å; A120-Q122 PolarHBondContact O-N 2.99Å; Q122-R126 WeakPolarHBondContact O-CG 3.44Å; Q122-R126 PolarHBondContact O-N 3Å
123	L	93.6	Very high	93.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-36.5	176.1	-63.8	-175.6	0	0	0	112.3	E119 A120 E121 R126 G127 I128 I133 A447 S450	E119-L123 PolarHBondContact O-N 2.93Å; A120-L123 PolarHBondContact O-N 3.22Å; E121-L123 VanDerWaalsContact C-N 3.27Å; E121-L123 PolarHBondContact O-N 2.86Å; L123-R126 PolarHBondContact O-N 3.47Å; L123-G127 PolarHBondContact O-N 3.43Å; L123-I128 HydrophobicContact CB-CB 4.42Å; L123-I128 HydrophobicContact CB-CD1 4.23Å; L123-I128 HydrophobicContact CD2-CD1 3.99Å; L123-I128 WeakPolarHBondContact O-CB 3.26Å; L123-I128 PolarHBondContact O-N 3.27Å; L123-I133 HydrophobicContact CB-CD1 3.62Å; L123-I133 HydrophobicContact CB-CG1 4.19Å; L123-I133 HydrophobicContact CD1-CD1 4.35Å; L123-I133 HydrophobicContact CD1-CG1 4.14Å; L123-I133 HydrophobicContact CD1-CG2 4.06Å; L123-A447 HydrophobicContact CD1-CB 4.43Å; L123-S450 WeakPolarHBondContact CD1-OG 3.49Å; L123-S450 WeakPolarHBondContact CG-OG 3.47Å
124	L	92.9	Very high	93.6	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-42	174.1	-71.1	170.5	0	0	0	111.1	L34 I38 A120 E121 R126 G127 P130 I133 L528	L34-L124 HydrophobicContact CB-CD1 4.3Å; L34-L124 HydrophobicContact CD1-CD1 4.24Å; L34-L124 HydrophobicContact CD1-CD2 4.37Å; I38-L124 HydrophobicContact CD1-CD1 3.97Å; A120-L124 VanDerWaalsContact O-CG 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.27Å; A120-L124 PolarHBondContact O-N 3.32Å; E121-L124 WeakPolarHBondContact O-CB 3.18Å; E121-L124 PolarHBondContact O-N 2.75Å; E121-L124 VanDerWaalsContact O-N 3.16Å; L124-R126 PolarHBondContact O-N 3.15Å; L124-G127 WeakPolarHBondContact O-CA 3.42Å; L124-G127 PolarHBondContact O-N 3.23Å; L124-P130 HydrophobicContact CD2-CB 4.01Å; L124-P130 HydrophobicContact CD2-CG 4.31Å; L124-I133 HydrophobicContact CD2-CD1 3.97Å; L124-I133 HydrophobicContact CG-CD1 4.01Å; L124-L528 HydrophobicContact CD1-CD2 4.48Å
125	D	92.1	Very high	93.4	Very high	97 Å²	97	50.3 Å²	50.3	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-28.2	176.1	-79.1	-16.7	0	0	0	112.7	K35 E121 G127	K35-D125 WeakPolarHBondContact CE-OD1 3Å; K35-D125 IonicContact NZ-OD1 2.65Å; K35-D125 PolarHBondContact NZ-OD1 2.96Å; K35-D125 IonicContact NZ-OD2 2.9Å; E121-D125 PolarHBondContact O-N 3.36Å; D125-G127 PolarHBondContact O-N 2.79Å
126	R	91.6	Very high	93.3	Very high	170 Å²	170	50 Å²	50	64%	0.642	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.2	170.5	-68.6	176.1	-174.9	-177.4	6.5	113.5	Q122 L123 L124	Q122-R126 WeakPolarHBondContact O-CG 3.44Å; Q122-R126 PolarHBondContact O-N 3Å; L123-R126 PolarHBondContact O-N 3.47Å; L124-R126 PolarHBondContact O-N 3.15Å
127	G	90.1	Very high	93.2	Very high	66 Å²	66	50.1 Å²	50.1	68%	0.68	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	17.1	178.3	0	0	0	0	0	114.7	L123 L124 D125	L123-G127 PolarHBondContact O-N 3.43Å; L124-G127 WeakPolarHBondContact O-CA 3.42Å; L124-G127 PolarHBondContact O-N 3.23Å; D125-G127 PolarHBondContact O-N 2.79Å
128	I	92.3	Very high	93.2	Very high	34 Å²	34	52 Å²	52	17%	0.174	26%	0.259	C	S	.	.			trans	-78	131.9	175.1	-54.8	-175.3	0	0	0	109.3	L123 R132 I133 Y446	L123-I128 HydrophobicContact CB-CB 4.42Å; L123-I128 HydrophobicContact CB-CD1 4.23Å; L123-I128 HydrophobicContact CD2-CD1 3.99Å; L123-I128 WeakPolarHBondContact O-CB 3.26Å; L123-I128 PolarHBondContact O-N 3.27Å; I128-R132 HydrophobicContact CG2-CB 4.47Å; I128-I133 HydrophobicContact CB-CD1 4.36Å; I128-I133 HydrophobicContact CB-CG1 4.31Å; I128-I133 HydrophobicContact CG2-CD1 4.3Å; I128-I133 HydrophobicContact CG2-CG1 3.73Å; I128-Y446 HydrophobicContact CD1-CD2 4.33Å; I128-Y446 HydrophobicContact CD1-CG 4.29Å
129	H	91.6	Very high	93.1	Very high	103 Å²	103	52 Å²	52	48%	0.477	26%	0.259	S	S	.	.			trans	-66.1	134.3	-179	-166.8	-78.2	0	0	0	112	I131 R132 I133	H129-I131 VanDerWaalsContact C-N 3.3Å; H129-I131 PolarHBondContact ND1-N 3.25Å; H129-I131 PolarHBondContact O-N 2.67Å; H129-R132 HydrophobicContact CB-CG 4.44Å; H129-R132 WeakPolarHBondContact O-CB 3.39Å; H129-R132 PolarHBondContact O-N 3.13Å; H129-I133 PolarHBondContact O-N 2.89Å
130	P	92.4	Very high	93.1	Very high	24 Å²	24	50.5 Å²	50.5	16%	0.156	25%	0.252	C	S	.	.	H	α-helix	trans	-55.7	-39.3	-175.2	17.7	-31.3	0	0	0	114	L34 L124 R132 I133 S134 L528	L34-P130 HydrophobicContact CD1-CB 4.27Å; L34-P130 HydrophobicContact CD1-CG 4.14Å; L124-P130 HydrophobicContact CD2-CB 4.01Å; L124-P130 HydrophobicContact CD2-CG 4.31Å; P130-R132 VanDerWaalsContact C-N 3.31Å; P130-R132 PolarHBondContact O-N 3.27Å; P130-I133 WeakPolarHBondContact O-CB 3.48Å; P130-I133 PolarHBondContact O-N 2.68Å; P130-S134 PolarHBondContact O-N 3.14Å; P130-L528 HydrophobicContact CB-CB 4.34Å; P130-L528 WeakPolarHBondContact CB-O 3.41Å
131	I	91.8	Very high	93.2	Very high	85 Å²	85	50.8 Å²	50.8	44%	0.436	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-40.4	176.7	-60.4	174.9	0	0	0	111.8	H129 I133 S134 D135	H129-I131 VanDerWaalsContact C-N 3.3Å; H129-I131 PolarHBondContact ND1-N 3.25Å; H129-I131 PolarHBondContact O-N 2.67Å; I131-I133 VanDerWaalsContact C-N 3.33Å; I131-I133 PolarHBondContact O-N 3.24Å; I131-S134 WeakPolarHBondContact O-CB 3.49Å; I131-S134 PolarHBondContact O-N 2.74Å; I131-D135 PolarHBondContact O-N 3.45Å
132	R	91.8	Very high	93.3	Very high	142 Å²	142	55.4 Å²	55.4	54%	0.536	27%	0.274	S	S	.	.	H	α-helix	trans	-69.9	-33.4	178.7	-67.9	-174.5	175.7	-178.7	-1.7	112	I128 H129 P130 G136	I128-R132 HydrophobicContact CG2-CB 4.47Å; H129-R132 HydrophobicContact CB-CG 4.44Å; H129-R132 WeakPolarHBondContact O-CB 3.39Å; H129-R132 PolarHBondContact O-N 3.13Å; P130-R132 VanDerWaalsContact C-N 3.31Å; P130-R132 PolarHBondContact O-N 3.27Å; R132-G136 PolarHBondContact O-N 3.17Å
133	I	93.9	Very high	93.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-47.8	172.6	-57.2	170.6	0	0	0	109	A120 L123 L124 I128 H129 P130 I131 D135 G136 Y137 L528	A120-I133 HydrophobicContact CB-CG2 4.15Å; L123-I133 HydrophobicContact CB-CD1 3.62Å; L123-I133 HydrophobicContact CB-CG1 4.19Å; L123-I133 HydrophobicContact CD1-CD1 4.35Å; L123-I133 HydrophobicContact CD1-CG1 4.14Å; L123-I133 HydrophobicContact CD1-CG2 4.06Å; L124-I133 HydrophobicContact CD2-CD1 3.97Å; L124-I133 HydrophobicContact CG-CD1 4.01Å; I128-I133 HydrophobicContact CB-CD1 4.36Å; I128-I133 HydrophobicContact CB-CG1 4.31Å; I128-I133 HydrophobicContact CG2-CD1 4.3Å; I128-I133 HydrophobicContact CG2-CG1 3.73Å; H129-I133 PolarHBondContact O-N 2.89Å; P130-I133 WeakPolarHBondContact O-CB 3.48Å; P130-I133 PolarHBondContact O-N 2.68Å; I131-I133 VanDerWaalsContact C-N 3.33Å; I131-I133 PolarHBondContact O-N 3.24Å; I133-D135 PolarHBondContact O-N 3.09Å; I133-G136 PolarHBondContact O-N 2.91Å; I133-Y137 HydrophobicContact CG2-CD1 4.23Å; I133-Y137 HydrophobicContact CG2-CD2 4.16Å; I133-Y137 HydrophobicContact CG2-CE1 3.85Å; I133-Y137 HydrophobicContact CG2-CE2 3.79Å; I133-Y137 HydrophobicContact CG2-CG 4.38Å; I133-Y137 PolarHBondContact O-N 2.9Å; I133-L528 HydrophobicContact CB-CD1 4.41Å; I133-L528 HydrophobicContact CG2-CD1 4.14Å
134	S	93.4	Very high	93.5	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-44.9	177.1	174.5	0	0	0	0	112.9	P130 I131 Y137 D138 K525	P130-S134 PolarHBondContact O-N 3.14Å; I131-S134 WeakPolarHBondContact O-CB 3.49Å; I131-S134 PolarHBondContact O-N 2.74Å; S134-Y137 PolarHBondContact O-N 2.82Å; S134-D138 PolarHBondContact O-N 2.88Å; S134-K525 WeakPolarHBondContact OG-CB 3.43Å; S134-K525 WeakPolarHBondContact OG-CD 3.48Å; S134-K525 WeakPolarHBondContact OG-CG 3.4Å
135	D	92.1	Very high	93.6	Very high	76 Å²	76	54.9 Å²	54.9	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-39.2	179.8	-67.4	-28.1	0	0	0	111.2	I131 I133 D138 Q139	I131-D135 PolarHBondContact O-N 3.45Å; I133-D135 PolarHBondContact O-N 3.09Å; D135-D138 PolarHBondContact O-N 3Å; D135-Q139 PolarHBondContact O-N 2.97Å; D135-Q139 VanDerWaalsContact O-N 3.16Å
136	G	94	Very high	93.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-39.3	174.5	0	0	0	0	0	113.4	R132 I133 Q139 A140	R132-G136 PolarHBondContact O-N 3.17Å; I133-G136 PolarHBondContact O-N 2.91Å; G136-Q139 PolarHBondContact O-N 3.07Å; G136-A140 WeakPolarHBondContact O-CB 3.43Å; G136-A140 PolarHBondContact O-N 2.84Å
137	Y	95.9	Very high	93.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-41.4	174.3	-75	-0.8	0	0	0	112.1	L116 A120 I133 S134 Q139 A140 A141 A447 F451 V524	L116-Y137 HydrophobicContact CB-CE2 4.18Å; L116-Y137 HydrophobicContact CD2-CD2 4.33Å; L116-Y137 HydrophobicContact CD2-CE2 4.09Å; L116-Y137 WeakPolarHBondContact O-CE2 3.43Å; L116-Y137 PolarHBondContact O-OH 2.8Å; A120-Y137 HydrophobicContact CB-CE2 4.22Å; A120-Y137 PolarHBondContact N-OH 3.48Å; I133-Y137 HydrophobicContact CG2-CD1 4.23Å; I133-Y137 HydrophobicContact CG2-CD2 4.16Å; I133-Y137 HydrophobicContact CG2-CE1 3.85Å; I133-Y137 HydrophobicContact CG2-CE2 3.79Å; I133-Y137 HydrophobicContact CG2-CG 4.38Å; I133-Y137 PolarHBondContact O-N 2.9Å; S134-Y137 PolarHBondContact O-N 2.82Å; Y137-Q139 VanDerWaalsContact C-N 3.29Å; Y137-Q139 PolarHBondContact O-N 3.28Å; Y137-A140 PolarHBondContact O-N 2.91Å; Y137-A141 WeakPolarHBondContact O-CB 3.4Å; Y137-A141 PolarHBondContact O-N 2.68Å; Y137-A447 HydrophobicContact CD1-CB 4.08Å; Y137-A447 WeakPolarHBondContact CD1-O 3.34Å; Y137-A447 HydrophobicContact CE1-CB 4.23Å; Y137-A447 WeakPolarHBondContact CE1-O 3.39Å; Y137-F451 HydrophobicContact CD1-CB 3.98Å; Y137-F451 HydrophobicContact CD1-CD2 4.04Å; Y137-F451 HydrophobicContact CE1-CB 4.15Å; Y137-F451 HydrophobicContact CG-CD2 4.08Å; Y137-V524 HydrophobicContact CD2-CG1 3.81Å; Y137-V524 HydrophobicContact CE2-CG1 3.87Å
138	D	94.7	Very high	94	Very high	39 Å²	39	43.5 Å²	43.5	21%	0.209	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-39.4	174.9	-82.9	-12.1	0	0	0	112.1	S134 D135 K142 K525	S134-D138 PolarHBondContact O-N 2.88Å; D135-D138 PolarHBondContact O-N 3Å; D138-K142 WeakPolarHBondContact O-CG 3.39Å; D138-K142 PolarHBondContact O-N 2.84Å; D138-K525 WeakPolarHBondContact OD2-CD 3.4Å; D138-K525 IonicContact OD2-NZ 2.82Å; D138-K525 PolarHBondContact OD2-NZ 3.35Å
139	Q	93.9	Very high	94.1	Very high	69 Å²	69	44.7 Å²	44.7	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-70	-42.4	177	-168.5	178.5	-6.6	0	0	111.6	D135 G136 Y137 K142 I143 E444 M448	D135-Q139 PolarHBondContact O-N 2.97Å; D135-Q139 VanDerWaalsContact O-N 3.16Å; G136-Q139 PolarHBondContact O-N 3.07Å; Y137-Q139 VanDerWaalsContact C-N 3.29Å; Y137-Q139 PolarHBondContact O-N 3.28Å; Q139-K142 PolarHBondContact O-N 2.89Å; Q139-I143 HydrophobicContact CG-CD1 4.27Å; Q139-I143 WeakPolarHBondContact O-CD1 3.18Å; Q139-I143 WeakPolarHBondContact O-CG1 3.18Å; Q139-I143 PolarHBondContact O-N 2.86Å; Q139-I143 VanDerWaalsContact O-N 3.17Å; Q139-E444 PolarHBondContact OE1-OE2 3.07Å; Q139-M448 HydrophobicContact CB-CE 3.9Å; Q139-M448 HydrophobicContact CG-CE 3.54Å; Q139-M448 VanDerWaalsContact OE1-CE 3.27Å
140	A	95.5	Very high	94.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-44.9	175.1	0	0	0	0	0	111.8	G136 Y137 K142 I143 A144 V433 M448 F451	G136-A140 WeakPolarHBondContact O-CB 3.43Å; G136-A140 PolarHBondContact O-N 2.84Å; Y137-A140 PolarHBondContact O-N 2.91Å; A140-K142 PolarHBondContact O-N 2.64Å; A140-I143 WeakPolarHBondContact O-CB 2.94Å; A140-I143 PolarHBondContact O-N 2.9Å; A140-I143 VanDerWaalsContact O-N 3.13Å; A140-A144 PolarHBondContact O-N 2.86Å; A140-V433 HydrophobicContact CB-CG1 3.92Å; A140-M448 HydrophobicContact CB-CG 4.18Å; A140-F451 HydrophobicContact CB-CB 3.73Å; A140-F451 HydrophobicContact CB-CD1 3.62Å; A140-F451 HydrophobicContact CB-CD2 4Å; A140-F451 HydrophobicContact CB-CE1 4.2Å; A140-F451 HydrophobicContact CB-CG 3.5Å
141	A	95.9	Very high	94	Very high	6 Å²	6	47.1 Å²	47.1	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-42.8	177.6	0	0	0	0	0	112.2	Y137 I143 A144 I145 F451 I517 T521	Y137-A141 WeakPolarHBondContact O-CB 3.4Å; Y137-A141 PolarHBondContact O-N 2.68Å; A141-I143 VanDerWaalsContact C-N 3.31Å; A141-I143 PolarHBondContact O-N 2.89Å; A141-A144 PolarHBondContact O-N 3.39Å; A141-I145 WeakPolarHBondContact O-CB 3.12Å; A141-I145 VanDerWaalsContact O-CG1 3.26Å; A141-I145 WeakPolarHBondContact O-CG1 3.49Å; A141-I145 PolarHBondContact O-N 3.26Å; A141-F451 HydrophobicContact CB-CE2 4.17Å; A141-F451 HydrophobicContact CB-CZ 3.92Å; A141-I517 HydrophobicContact CB-CG2 4.09Å; A141-T521 HydrophobicContact CB-CG2 3.95Å
142	K	95.9	Very high	93.9	Very high	150 Å²	150	44.2 Å²	44.2	65%	0.652	22%	0.215	S	C	*	.	H	α-helix	trans	-60.9	-39.9	175	-72.8	170.5	-174.2	171.5	0	112.3	D138 Q139 A140 A146	D138-K142 WeakPolarHBondContact O-CG 3.39Å; D138-K142 PolarHBondContact O-N 2.84Å; Q139-K142 PolarHBondContact O-N 2.89Å; A140-K142 PolarHBondContact O-N 2.64Å; K142-A146 WeakPolarHBondContact O-CB 3.45Å; K142-A146 PolarHBondContact O-N 2.65Å
143	I	95.6	Very high	93.7	Very high	47 Å²	47	40.8 Å²	40.8	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-67.9	-43.8	177.8	-65.8	161.1	0	0	0	110.3	Q139 A140 A141 A146 Q147 V433 A436 M448	Q139-I143 HydrophobicContact CG-CD1 4.27Å; Q139-I143 WeakPolarHBondContact O-CD1 3.18Å; Q139-I143 WeakPolarHBondContact O-CG1 3.18Å; Q139-I143 PolarHBondContact O-N 2.86Å; Q139-I143 VanDerWaalsContact O-N 3.17Å; A140-I143 WeakPolarHBondContact O-CB 2.94Å; A140-I143 PolarHBondContact O-N 2.9Å; A140-I143 VanDerWaalsContact O-N 3.13Å; A141-I143 VanDerWaalsContact C-N 3.31Å; A141-I143 PolarHBondContact O-N 2.89Å; I143-A146 PolarHBondContact O-N 2.92Å; I143-Q147 WeakPolarHBondContact O-CB 3.45Å; I143-Q147 PolarHBondContact O-N 3.19Å; I143-V433 HydrophobicContact CG2-CG2 4.32Å; I143-A436 HydrophobicContact CD1-CB 3.82Å; I143-A436 HydrophobicContact CG2-CB 4.18Å; I143-M448 HydrophobicContact CD1-CE 4.36Å
144	A	95.4	Very high	93.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-47.8	176	0	0	0	0	0	111.7	A140 A141 A146 Q147 L148 C429 V433 F451 I517	A140-A144 PolarHBondContact O-N 2.86Å; A141-A144 PolarHBondContact O-N 3.39Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.93Å; A144-Q147 WeakPolarHBondContact O-CA 3.41Å; A144-Q147 WeakPolarHBondContact O-CB 3.38Å; A144-Q147 PolarHBondContact O-N 3.13Å; A144-L148 PolarHBondContact O-N 2.72Å; A144-C429 HydrophobicContact CB-CB 4.07Å; A144-V433 HydrophobicContact CB-CG2 4.11Å; A144-F451 HydrophobicContact CB-CE1 4.28Å; A144-I517 HydrophobicContact CB-CD1 4.28Å
145	I	95.6	Very high	91.9	Very high	40 Å²	40	48 Å²	48	21%	0.205	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-42.4	176.9	-69.8	166	0	0	0	111.4	A141 Q147 L148 D149 K514 I517	A141-I145 WeakPolarHBondContact O-CB 3.12Å; A141-I145 VanDerWaalsContact O-CG1 3.26Å; A141-I145 WeakPolarHBondContact O-CG1 3.49Å; A141-I145 PolarHBondContact O-N 3.26Å; I145-Q147 VanDerWaalsContact C-N 3.28Å; I145-Q147 PolarHBondContact O-N 3.07Å; I145-L148 WeakPolarHBondContact O-CB 3.36Å; I145-L148 PolarHBondContact O-N 3.07Å; I145-D149 PolarHBondContact O-N 3.36Å; I145-D149 VanDerWaalsContact O-N 3.15Å; I145-K514 HydrophobicContact CG2-CD 3.91Å; I145-K514 HydrophobicContact CG2-CG 4.04Å; I145-I517 HydrophobicContact CG1-CG2 4.4Å
146	A	95.5	Very high	90.5	Very high	45 Å²	45	49.6 Å²	49.6	37%	0.372	26%	0.259	S	S	.	.	H	α-helix	trans	-67.6	-29.2	176.1	0	0	0	0	0	112.7	K142 I143 A144 K150	K142-A146 WeakPolarHBondContact O-CB 3.45Å; K142-A146 PolarHBondContact O-N 2.65Å; I143-A146 PolarHBondContact O-N 2.92Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.93Å; A146-K150 WeakPolarHBondContact O-CG 3.09Å; A146-K150 PolarHBondContact O-N 3Å
147	Q	94.2	Very high	88.8	Confident	48 Å²	48	53 Å²	53	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-72.5	-40	173.6	-174.6	64.4	9.4	0	0	111.5	I143 A144 I145 D149 K150 I151 A432	I143-Q147 WeakPolarHBondContact O-CB 3.45Å; I143-Q147 PolarHBondContact O-N 3.19Å; A144-Q147 WeakPolarHBondContact O-CA 3.41Å; A144-Q147 WeakPolarHBondContact O-CB 3.38Å; A144-Q147 PolarHBondContact O-N 3.13Å; I145-Q147 VanDerWaalsContact C-N 3.28Å; I145-Q147 PolarHBondContact O-N 3.07Å; Q147-D149 VanDerWaalsContact C-N 3.28Å; Q147-D149 PolarHBondContact O-N 3.03Å; Q147-K150 WeakPolarHBondContact O-CB 3.43Å; Q147-K150 PolarHBondContact O-N 2.99Å; Q147-I151 HydrophobicContact CG-CD1 3.77Å; Q147-I151 HydrophobicContact CG-CG1 4.45Å; Q147-I151 WeakPolarHBondContact O-CG1 3.22Å; Q147-I151 PolarHBondContact O-N 3.47Å; Q147-A432 HydrophobicContact CB-CB 4.05Å; Q147-A432 HydrophobicContact CG-CB 3.6Å
148	L	93.4	Very high	87.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-40.3	173	-70.4	175.8	0	0	0	111.8	A144 I145 K150 I151 S152 C429 L510 K513 K514 I517	A144-L148 PolarHBondContact O-N 2.72Å; I145-L148 WeakPolarHBondContact O-CB 3.36Å; I145-L148 PolarHBondContact O-N 3.07Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 2.94Å; L148-I151 PolarHBondContact O-N 2.96Å; L148-S152 WeakPolarHBondContact O-CB 3.18Å; L148-S152 PolarHBondContact O-N 2.96Å; L148-C429 VanDerWaalsContact CD2-SG 3.58Å; L148-L510 HydrophobicContact CB-CD1 3.67Å; L148-K513 HydrophobicContact CD1-CB 4.05Å; L148-K514 HydrophobicContact CD1-CG 4.05Å; L148-I517 HydrophobicContact CD1-CD1 3.75Å
149	D	93.3	Very high	85.6	Confident	58 Å²	58	59.3 Å²	59.3	31%	0.31	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-38.3	173.9	-84.2	-50.6	0	0	0	112.8	I145 Q147 S152 R417 K514	I145-D149 PolarHBondContact O-N 3.36Å; I145-D149 VanDerWaalsContact O-N 3.15Å; Q147-D149 VanDerWaalsContact C-N 3.28Å; Q147-D149 PolarHBondContact O-N 3.03Å; D149-S152 PolarHBondContact O-OG 2.86Å; D149-R417 IonicContact OD1-CZ 2.75Å; D149-R417 IonicContact OD1-NH1 2.8Å; D149-R417 PolarHBondContact OD1-NH1 3.05Å; D149-K514 WeakPolarHBondContact OD1-CE 3.46Å; D149-K514 IonicContact OD1-NZ 3.73Å; D149-K514 PolarHBondContact OD1-NZ 3.33Å; D149-K514 WeakPolarHBondContact OD2-CE 3.45Å; D149-K514 IonicContact OD2-NZ 2.55Å; D149-K514 PolarHBondContact OD2-NZ 3.21Å
150	K	92.4	Very high	84.1	Confident	158 Å²	158	60.7 Å²	60.7	69%	0.687	33%	0.329	S	S	*	.	H	α-helix	trans	-74.8	-34	-179.9	-66.7	172.8	-170.9	169.4	0	113.2	A146 Q147 L148	A146-K150 WeakPolarHBondContact O-CG 3.09Å; A146-K150 PolarHBondContact O-N 3Å; Q147-K150 WeakPolarHBondContact O-CB 3.43Å; Q147-K150 PolarHBondContact O-N 2.99Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 2.94Å
151	I	90.4	Very high	83	Confident	20 Å²	20	65 Å²	65	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-79.7	-24.2	-179.7	-68.1	168.5	0	0	0	111.1	Q147 L148 E153 A428 P487	Q147-I151 HydrophobicContact CG-CD1 3.77Å; Q147-I151 HydrophobicContact CG-CG1 4.45Å; Q147-I151 WeakPolarHBondContact O-CG1 3.22Å; Q147-I151 PolarHBondContact O-N 3.47Å; L148-I151 PolarHBondContact O-N 2.96Å; I151-E153 PolarHBondContact O-N 3.42Å; I151-A428 HydrophobicContact CD1-CB 3.44Å; I151-A428 VanDerWaalsContact CD1-CB 3.44Å; I151-P487 HydrophobicContact CB-CB 4.36Å; I151-P487 HydrophobicContact CB-CG 4.42Å; I151-P487 HydrophobicContact CD1-CB 3.88Å; I151-P487 HydrophobicContact CG1-CB 3.87Å; I151-P487 HydrophobicContact CG1-CG 4.14Å; I151-P487 HydrophobicContact CG2-CB 3.6Å; I151-P487 HydrophobicContact CG2-CG 3.7Å
152	S	89	Confident	82.3	Confident	24 Å²	24	66.6 Å²	66.6	17%	0.168	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-58.7	134.2	-175	69.2	0	0	0	0	112.9	L148 D149 I418	L148-S152 WeakPolarHBondContact O-CB 3.18Å; L148-S152 PolarHBondContact O-N 2.96Å; D149-S152 PolarHBondContact O-OG 2.86Å; S152-I418 VanDerWaalsContact CA-O 3.27Å; S152-I418 WeakPolarHBondContact CA-O 3.43Å
153	E	86.6	Confident	81.8	Confident	70 Å²	70	62.3 Å²	62.3	33%	0.327	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	146.2	167.9	-68.2	-167.8	-166.1	0	0	108.7	I151 R417 I418 Y420 K502	I151-E153 PolarHBondContact O-N 3.42Å; E153-R417 WeakPolarHBondContact O-CA 3.11Å; E153-I418 HydrophobicContact CB-CD1 4.2Å; E153-I418 HydrophobicContact CB-CG1 4.21Å; E153-I418 PolarHBondContact N-O 3.35Å; E153-I418 WeakPolarHBondContact O-CG1 3.46Å; E153-I418 PolarHBondContact O-N 3.39Å; E153-Y420 VanDerWaalsContact CD-OH 3.25Å; E153-Y420 HydrophobicContact CG-CE2 4.32Å; E153-Y420 PolarHBondContact OE1-OH 3.49Å; E153-Y420 PolarHBondContact OE2-OH 3.32Å; E153-K502 IonicContact OE1-NZ 2.72Å; E153-K502 PolarHBondContact OE1-NZ 3.21Å; E153-K502 IonicContact OE2-NZ 3.88Å; E153-K502 PolarHBondContact OE2-NZ 2.97Å
154	T	81.6	Confident	81.1	Confident	95 Å²	95	61.2 Å²	61.2	58%	0.583	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	119	172.4	-53.1	0	0	0	0	108.1	N416	T154-N416 HydrophobicContact CG2-CB 4.31Å
155	F	69.8	Low	80.6	Confident	59 Å²	59	62 Å²	62	26%	0.259	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-82.5	124	166.6	-81.3	-57.1	0	0	0	109.1	Y157 P164 N416 I418 I507	F155-Y157 PolarHBondContact O-N 3.45Å; F155-P164 HydrophobicContact CD2-CB 4.46Å; F155-P164 HydrophobicContact CG-CB 4.43Å; F155-N416 PolarHBondContact N-O 2.7Å; F155-I418 HydrophobicContact CD2-CB 4.22Å; F155-I418 HydrophobicContact CD2-CD1 3.61Å; F155-I418 HydrophobicContact CD2-CG1 3.46Å; F155-I418 VanDerWaalsContact CD2-CG1 3.46Å; F155-I418 HydrophobicContact CD2-CG2 3.82Å; F155-I418 HydrophobicContact CE2-CB 4.4Å; F155-I418 HydrophobicContact CE2-CD1 3.09Å; F155-I418 HydrophobicContact CE2-CG1 3.55Å; F155-I418 HydrophobicContact CE2-CG2 4.31Å; F155-I418 HydrophobicContact CG-CG1 4.4Å; F155-I418 HydrophobicContact CZ-CD1 3.79Å; F155-I507 HydrophobicContact CE2-CD1 3.92Å; F155-I507 HydrophobicContact CE2-CG2 4.45Å; F155-I507 HydrophobicContact CZ-CD1 4.23Å
156	P	60.8	Low	80.3	Confident	110 Å²	110	60.5 Å²	60.5	71%	0.714	34%	0.336	S	S	*	.			trans	-64.1	115	170.8	25.5	-29.9	0	0	0	108	D158	P156-D158 PolarHBondContact O-N 3.16Å
157	Y	59.2	Low	79.8	Confident	71 Å²	71	60.3 Å²	60.3	28%	0.278	33%	0.327	S	S	.	.			trans	-70.8	109.1	170.7	171.6	-99.5	0	0	0	107.7	F155 P159 L165 L194 M199 N416	F155-Y157 PolarHBondContact O-N 3.45Å; Y157-P159 HydrophobicContact CE1-CG 4.09Å; Y157-L165 HydrophobicContact CD2-CD1 4.39Å; Y157-L165 HydrophobicContact CE2-CD1 4.15Å; Y157-L194 HydrophobicContact CE2-CD2 3.89Å; Y157-L194 VanDerWaalsContact OH-CD2 3.23Å; Y157-L194 WeakPolarHBondContact OH-CD2 3.41Å; Y157-M199 HydrophobicContact CE1-CE 4.43Å; Y157-M199 HydrophobicContact CE1-SD 3.85Å; Y157-M199 WeakPolarHBondContact OH-CE 3.44Å; Y157-M199 PolarHBondContact OH-SD 3.42Å; Y157-N416 VanDerWaalsContact CB-ND2 3.3Å; Y157-N416 WeakPolarHBondContact CB-ND2 3.48Å
158	D	63.3	Low	79.5	Confident	79 Å²	79	58 Å²	58	42%	0.422	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-112.2	124	168.8	-165.4	-36.8	0	0	0	107.8	P156 S160 N161	P156-D158 PolarHBondContact O-N 3.16Å; D158-S160 PolarHBondContact O-N 3.11Å; D158-S160 WeakPolarHBondContact OD1-CB 3.43Å; D158-S160 PolarHBondContact OD1-N 3.24Å; D158-S160 PolarHBondContact OD1-OG 2.95Å; D158-S160 PolarHBondContact OD2-OG 2.91Å; D158-N161 HydrophobicContact CB-CB 4.33Å; D158-N161 CarbonylContact O-C 3.53Å; D158-N161 PolarHBondContact O-N 3.39Å
159	P	61.1	Low	79.2	Confident	96 Å²	96	58 Å²	58	62%	0.623	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-20.4	173.6	-24.1	32.4	0	0	0	113.8	Y157	Y157-P159 HydrophobicContact CE1-CG 4.09Å
160	S	61.2	Low	79	Confident	98 Å²	98	57.2 Å²	57.2	69%	0.685	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-18.4	176.7	67.9	0	0	0	0	114.4	D158	D158-S160 PolarHBondContact O-N 3.11Å; D158-S160 WeakPolarHBondContact OD1-CB 3.43Å; D158-S160 PolarHBondContact OD1-N 3.24Å; D158-S160 PolarHBondContact OD1-OG 2.95Å; D158-S160 PolarHBondContact OD2-OG 2.91Å
161	N	73.4	Confident	78.7	Confident	89 Å²	89	51.6 Å²	51.6	48%	0.476	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-121.8	88.1	-179.6	-170	9.1	0	0	0	111.4	D158 E163	D158-N161 HydrophobicContact CB-CB 4.33Å; D158-N161 CarbonylContact O-C 3.53Å; D158-N161 PolarHBondContact O-N 3.39Å; N161-E163 VanDerWaalsContact C-N 3.34Å; N161-E163 WeakPolarHBondContact OD1-CB 3.37Å; N161-E163 PolarHBondContact OD1-N 3.25Å
162	T	80.8	Confident	78.5	Confident	40 Å²	40	51 Å²	51	25%	0.245	29%	0.288	C	S	.	.			trans	-84.3	-6.7	178.1	53.7	0	0	0	0	113.6	L165 I166 V190 L194	T162-L165 WeakPolarHBondContact O-CB 3.3Å; T162-L165 PolarHBondContact O-N 3Å; T162-L165 VanDerWaalsContact O-N 3.09Å; T162-I166 WeakPolarHBondContact O-CG1 3.23Å; T162-I166 PolarHBondContact O-N 3.29Å; T162-V190 HydrophobicContact CG2-CG1 4.34Å; T162-L194 HydrophobicContact CG2-CD1 3.53Å
163	E	84.6	Confident	78.4	Confident	60 Å²	60	49.9 Å²	49.9	28%	0.28	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-40.6	-174.4	-165.7	68.9	-167.6	0	0	113.3	N161 L165 I166 Q167 R183	N161-E163 VanDerWaalsContact C-N 3.34Å; N161-E163 WeakPolarHBondContact OD1-CB 3.37Å; N161-E163 PolarHBondContact OD1-N 3.25Å; E163-L165 VanDerWaalsContact C-N 3.32Å; E163-L165 PolarHBondContact O-N 3.29Å; E163-I166 WeakPolarHBondContact O-CB 3.5Å; E163-I166 PolarHBondContact O-N 3.2Å; E163-Q167 HydrophobicContact CG-CG 4.45Å; E163-Q167 WeakPolarHBondContact O-CG 3.42Å; E163-Q167 PolarHBondContact O-N 2.9Å; E163-R183 IonicContact OE1-CZ 2.7Å; E163-R183 IonicContact OE1-NH1 2.65Å; E163-R183 PolarHBondContact OE1-NH1 2.88Å; E163-R183 IonicContact OE1-NH2 3.64Å; E163-R183 PolarHBondContact OE1-NH2 3.15Å; E163-R183 VanDerWaalsContact OE1-NH2 3.16Å; E163-R183 IonicContact OE2-NH2 2.71Å; E163-R183 PolarHBondContact OE2-NH2 2.93Å
164	P	81.4	Confident	78	Confident	25 Å²	25	47.2 Å²	47.2	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-35.3	176.8	-22.7	34.7	0	0	0	113.4	F155 Q167 T168	F155-P164 HydrophobicContact CD2-CB 4.46Å; F155-P164 HydrophobicContact CG-CB 4.43Å; P164-Q167 PolarHBondContact O-N 2.84Å; P164-T168 PolarHBondContact O-N 2.96Å; P164-T168 PolarHBondContact O-OG1 2.97Å
165	L	85	Confident	77.8	Confident	16 Å²	16	44.2 Å²	44.2	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-40.9	175.3	-61.2	179.8	0	0	0	110.5	Y157 T162 E163 T168 A169 V190 L194 L412	Y157-L165 HydrophobicContact CD2-CD1 4.39Å; Y157-L165 HydrophobicContact CE2-CD1 4.15Å; T162-L165 WeakPolarHBondContact O-CB 3.3Å; T162-L165 PolarHBondContact O-N 3Å; T162-L165 VanDerWaalsContact O-N 3.09Å; E163-L165 VanDerWaalsContact C-N 3.32Å; E163-L165 PolarHBondContact O-N 3.29Å; L165-T168 PolarHBondContact O-N 3.2Å; L165-A169 WeakPolarHBondContact O-CB 3.43Å; L165-A169 PolarHBondContact O-N 3.47Å; L165-V190 HydrophobicContact CB-CG1 4Å; L165-V190 HydrophobicContact CB-CG2 3.82Å; L165-V190 HydrophobicContact CD1-CG1 4.12Å; L165-L194 HydrophobicContact CD1-CD2 4.3Å; L165-L412 HydrophobicContact CD2-CB 3.89Å; L165-L412 HydrophobicContact CD2-CD1 3.54Å; L165-L412 HydrophobicContact CD2-CG 4.36Å
166	I	88.8	Confident	78.3	Confident	9 Å²	9	42.2 Å²	42.2	5%	0.046	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-47.6	175.7	-65.2	164.3	0	0	0	109.4	T162 E163 T168 A169 M170 A186 E187 V190	T162-I166 WeakPolarHBondContact O-CG1 3.23Å; T162-I166 PolarHBondContact O-N 3.29Å; E163-I166 WeakPolarHBondContact O-CB 3.5Å; E163-I166 PolarHBondContact O-N 3.2Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-T168 PolarHBondContact O-N 3.33Å; I166-A169 CarbonylContact O-C 3.53Å; I166-A169 PolarHBondContact O-N 2.92Å; I166-M170 HydrophobicContact CG2-CG 4.23Å; I166-M170 HydrophobicContact CG2-SD 3.95Å; I166-M170 WeakPolarHBondContact O-CB 3.22Å; I166-M170 WeakPolarHBondContact O-CG 3.39Å; I166-M170 PolarHBondContact O-N 2.83Å; I166-A186 HydrophobicContact CG2-CB 4.05Å; I166-E187 HydrophobicContact CD1-CG 3.9Å; I166-E187 HydrophobicContact CG1-CG 4.25Å; I166-E187 HydrophobicContact CG2-CG 4.21Å; I166-V190 HydrophobicContact CG1-CB 4.3Å; I166-V190 HydrophobicContact CG1-CG1 4.42Å; I166-V190 HydrophobicContact CG1-CG2 3.99Å
167	Q	86.3	Confident	78.8	Confident	40 Å²	40	40 Å²	40	19%	0.187	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-43.7	177.6	-73.7	177.4	-0.1	0	0	112.2	E163 P164 M170 T171 H505	E163-Q167 HydrophobicContact CG-CG 4.45Å; E163-Q167 WeakPolarHBondContact O-CG 3.42Å; E163-Q167 PolarHBondContact O-N 2.9Å; P164-Q167 PolarHBondContact O-N 2.84Å; Q167-M170 WeakPolarHBondContact O-CB 3.26Å; Q167-M170 PolarHBondContact O-N 3.42Å; Q167-T171 PolarHBondContact O-N 2.61Å; Q167-T171 PolarHBondContact O-OG1 2.66Å; Q167-T171 VanDerWaalsContact O-OG1 3.12Å; Q167-H505 PolarHBondContact OE1-ND1 2.86Å
168	T	86.3	Confident	79.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-44.4	177.4	-48.3	0	0	0	0	111.2	P164 L165 I166 M170 T171 T172 V408 L412 I507	P164-T168 PolarHBondContact O-N 2.96Å; P164-T168 PolarHBondContact O-OG1 2.97Å; L165-T168 PolarHBondContact O-N 3.2Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-T168 PolarHBondContact O-N 3.33Å; T168-M170 VanDerWaalsContact C-N 3.26Å; T168-M170 PolarHBondContact O-N 3.3Å; T168-T171 WeakPolarHBondContact O-CB 3.24Å; T168-T171 PolarHBondContact O-N 2.91Å; T168-T171 VanDerWaalsContact O-N 3.14Å; T168-T172 PolarHBondContact O-N 2.91Å; T168-V408 HydrophobicContact CG2-CG1 3.65Å; T168-L412 HydrophobicContact CG2-CD1 3.95Å; T168-I507 HydrophobicContact CG2-CB 4.48Å; T168-I507 HydrophobicContact CG2-CG2 4.25Å
169	A	88.3	Confident	79.7	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-30.3	175.3	0	0	0	0	0	112.5	L165 I166 T172 L173 A186 V190 I409	L165-A169 WeakPolarHBondContact O-CB 3.43Å; L165-A169 PolarHBondContact O-N 3.47Å; I166-A169 CarbonylContact O-C 3.53Å; I166-A169 PolarHBondContact O-N 2.92Å; A169-T172 WeakPolarHBondContact CA-OG1 3.46Å; A169-T172 PolarHBondContact O-N 2.82Å; A169-T172 PolarHBondContact O-OG1 3.05Å; A169-L173 VanDerWaalsContact O-CB 3.29Å; A169-L173 WeakPolarHBondContact O-CB 3.43Å; A169-L173 WeakPolarHBondContact O-CD1 3.46Å; A169-L173 WeakPolarHBondContact O-CG 3.4Å; A169-L173 PolarHBondContact O-N 2.75Å; A169-A186 HydrophobicContact CB-CB 3.82Å; A169-V190 HydrophobicContact CB-CG2 4.46Å; A169-I409 HydrophobicContact CB-CD1 3.97Å; A169-I409 HydrophobicContact CB-CG1 4.21Å
170	M	88.4	Confident	80.4	Confident	42 Å²	42	44 Å²	44	21%	0.207	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-39.8	172.3	-72.3	175.3	68.4	0	0	111.1	I166 Q167 T168 T172 L173 G174 H182 R183 A186	I166-M170 HydrophobicContact CG2-CG 4.23Å; I166-M170 HydrophobicContact CG2-SD 3.95Å; I166-M170 WeakPolarHBondContact O-CB 3.22Å; I166-M170 WeakPolarHBondContact O-CG 3.39Å; I166-M170 PolarHBondContact O-N 2.83Å; Q167-M170 WeakPolarHBondContact O-CB 3.26Å; Q167-M170 PolarHBondContact O-N 3.42Å; T168-M170 VanDerWaalsContact C-N 3.26Å; T168-M170 PolarHBondContact O-N 3.3Å; M170-T172 PolarHBondContact O-N 3.17Å; M170-L173 PolarHBondContact O-N 3.49Å; M170-G174 PolarHBondContact O-N 3.31Å; M170-H182 VanDerWaalsContact CE-CD2 3.42Å; M170-H182 WeakPolarHBondContact CE-CD2 3.44Å; M170-H182 WeakPolarHBondContact CE-NE2 3.48Å; M170-R183 HydrophobicContact CE-CB 4.37Å; M170-R183 HydrophobicContact SD-CB 4.46Å; M170-R183 HydrophobicContact SD-CG 4.34Å; M170-A186 HydrophobicContact CG-CB 3.76Å
171	T	87.1	Confident	81.2	Confident	39 Å²	39	40.1 Å²	40.1	24%	0.239	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-47.3	174.6	-48.6	0	0	0	0	111	Q167 T168 G174 H505 V506 I507	Q167-T171 PolarHBondContact O-N 2.61Å; Q167-T171 PolarHBondContact O-OG1 2.66Å; Q167-T171 VanDerWaalsContact O-OG1 3.12Å; T168-T171 WeakPolarHBondContact O-CB 3.24Å; T168-T171 PolarHBondContact O-N 2.91Å; T168-T171 VanDerWaalsContact O-N 3.14Å; T171-G174 PolarHBondContact O-N 3.42Å; T171-H505 PolarHBondContact OG1-O 3.47Å; T171-V506 HydrophobicContact CG2-CB 4.46Å; T171-V506 HydrophobicContact CG2-CG1 3.9Å; T171-I507 PolarHBondContact OG1-N 2.79Å
172	T	85.6	Confident	81.6	Confident	9 Å²	9	38.2 Å²	38.2	6%	0.055	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-36.2	-178.9	57.5	0	0	0	0	113	T168 A169 M170 S175 V408	T168-T172 PolarHBondContact O-N 2.91Å; A169-T172 WeakPolarHBondContact CA-OG1 3.46Å; A169-T172 PolarHBondContact O-N 2.82Å; A169-T172 PolarHBondContact O-OG1 3.05Å; M170-T172 PolarHBondContact O-N 3.17Å; T172-S175 PolarHBondContact O-OG 2.88Å; T172-V408 HydrophobicContact CG2-CB 3.95Å; T172-V408 HydrophobicContact CG2-CG1 3.87Å; T172-V408 HydrophobicContact CG2-CG2 3.59Å
173	L	86.2	Confident	82	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-78.8	-21.4	178.7	-69.4	170.5	0	0	0	112.7	A169 M170 S175 K176 I178 H182 M185 A186 A401 A405	A169-L173 VanDerWaalsContact O-CB 3.29Å; A169-L173 WeakPolarHBondContact O-CB 3.43Å; A169-L173 WeakPolarHBondContact O-CD1 3.46Å; A169-L173 WeakPolarHBondContact O-CG 3.4Å; A169-L173 PolarHBondContact O-N 2.75Å; M170-L173 PolarHBondContact O-N 3.49Å; L173-S175 VanDerWaalsContact C-N 3.25Å; L173-S175 PolarHBondContact O-N 2.77Å; L173-K176 PolarHBondContact O-N 2.77Å; L173-I178 HydrophobicContact CD2-CD1 4.16Å; L173-H182 HydrophobicContact CB-CB 3.97Å; L173-M185 HydrophobicContact CD1-CB 3.82Å; L173-A186 HydrophobicContact CD1-CB 4.04Å; L173-A401 HydrophobicContact CD2-CB 4.04Å; L173-A401 VanDerWaalsContact CD2-O 3.25Å; L173-A401 WeakPolarHBondContact CD2-O 3.48Å; L173-A405 HydrophobicContact CD1-CB 4.26Å; L173-A405 HydrophobicContact CD2-CB 3.99Å; L173-A405 HydrophobicContact CG-CB 3.97Å
174	G	79.8	Confident	82.3	Confident	14 Å²	14	42 Å²	42	14%	0.144	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-24.1	-176.1	0	0	0	0	0	114.2	M170 T171 K176	M170-G174 PolarHBondContact O-N 3.31Å; T171-G174 PolarHBondContact O-N 3.42Å; G174-K176 VanDerWaalsContact C-N 3.32Å
175	S	76.9	Confident	82.7	Confident	31 Å²	31	40.9 Å²	40.9	22%	0.217	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	8	177.2	58.3	0	0	0	0	115.2	G53 N72 T172 L173	G53-S175 WeakPolarHBondContact O-CB 3.34Å; N72-S175 PolarHBondContact ND2-O 2.79Å; T172-S175 PolarHBondContact O-OG 2.88Å; L173-S175 VanDerWaalsContact C-N 3.25Å; L173-S175 PolarHBondContact O-N 2.77Å
176	K	79	Confident	83	Confident	18 Å²	18	40.1 Å²	40.1	8%	0.078	19%	0.192	C	C	.	.	S	Bend	trans	-125.3	171.7	-172.9	-59.9	-173.9	-179.7	-176.8	0	112.3	L173 G174 I178 N179 A401 D404	L173-K176 PolarHBondContact O-N 2.77Å; G174-K176 VanDerWaalsContact C-N 3.32Å; K176-I178 PolarHBondContact O-N 3.21Å; K176-N179 PolarHBondContact O-N 3.25Å; K176-A401 HydrophobicContact CB-CB 4.14Å; K176-A401 HydrophobicContact CD-CB 3.4Å; K176-A401 HydrophobicContact CG-CB 4.4Å; K176-D404 VanDerWaalsContact NZ-CB 3.34Å; K176-D404 IonicContact NZ-OD1 2.8Å; K176-D404 PolarHBondContact NZ-OD1 2.98Å; K176-D404 IonicContact NZ-OD2 3.88Å; K176-D404 PolarHBondContact NZ-OD2 3.34Å
177	V	72.4	Confident	83.1	Confident	63 Å²	63	43 Å²	43	38%	0.382	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-51.4	-23.3	179.5	179.8	0	0	0	0	113.3	D58 N179 E397	D58-V177 WeakPolarHBondContact OD2-CG2 3.41Å; V177-N179 PolarHBondContact O-N 3.09Å; V177-E397 HydrophobicContact CB-CG 4.1Å; V177-E397 HydrophobicContact CG2-CG 3.7Å
178	I	71.1	Confident	83.5	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-79.9	12.2	178.9	-40.9	175.7	0	0	0	114	L173 K176 R180 C181 H182 M185 L219 A398 A401	L173-I178 HydrophobicContact CD2-CD1 4.16Å; K176-I178 PolarHBondContact O-N 3.21Å; I178-R180 PolarHBondContact O-N 3.08Å; I178-C181 HydrophobicContact CG2-CB 4.3Å; I178-C181 CarbonylContact O-C 3.48Å; I178-C181 PolarHBondContact O-N 3.42Å; I178-H182 PolarHBondContact O-N 3.17Å; I178-M185 HydrophobicContact CD1-CG 4.37Å; I178-M185 HydrophobicContact CG2-CB 4.28Å; I178-M185 HydrophobicContact CG2-CE 4.31Å; I178-M185 HydrophobicContact CG2-CG 3.52Å; I178-L219 HydrophobicContact CB-CD2 4.29Å; I178-L219 HydrophobicContact CG1-CD2 4.29Å; I178-L219 HydrophobicContact CG2-CD2 3.73Å; I178-A398 HydrophobicContact CD1-CB 3.98Å; I178-A398 HydrophobicContact CG1-CB 4.26Å; I178-A401 HydrophobicContact CD1-CB 3.44Å; I178-A401 VanDerWaalsContact CD1-CB 3.44Å; I178-A401 HydrophobicContact CG1-CB 4.03Å
179	N	70.8	Confident	83.8	Confident	85 Å²	85	41.7 Å²	41.7	46%	0.455	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-54.6	-26.9	-179.3	-166.2	-1.5	0	0	0	113.8	K176 V177 C181 H182	K176-N179 PolarHBondContact O-N 3.25Å; V177-N179 PolarHBondContact O-N 3.09Å; N179-C181 PolarHBondContact O-N 3.17Å; N179-H182 PolarHBondContact O-CE1 2.95Å; N179-H182 PolarHBondContact O-ND1 3.02Å
180	R	76	Confident	83.9	Confident	244 Å²	244	41.8 Å²	41.8	92%	0.921	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-71.1	-29.7	176.4	-67.2	-174.1	-177.1	178.9	2	114.9	I178	I178-R180 PolarHBondContact O-N 3.08Å
181	C	78.1	Confident	84	Confident	16 Å²	16	43.4 Å²	43.4	11%	0.108	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	23.4	-171.8	-55.7	0	0	0	0	112.3	I178 N179 R183 Q184 M185 E220	I178-C181 HydrophobicContact CG2-CB 4.3Å; I178-C181 CarbonylContact O-C 3.48Å; I178-C181 PolarHBondContact O-N 3.42Å; N179-C181 PolarHBondContact O-N 3.17Å; C181-R183 VanDerWaalsContact C-N 3.29Å; C181-R183 PolarHBondContact O-N 3.36Å; C181-Q184 PolarHBondContact O-N 3.09Å; C181-M185 PolarHBondContact O-N 3.2Å; C181-E220 WeakPolarHBondContact SG-CG 3.19Å
182	H	81.5	Confident	84.3	Confident	49 Å²	49	41.5 Å²	41.5	23%	0.227	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-32.5	-170.8	62.2	-86.4	0	0	0	113	M170 L173 I178 N179 M185 A186	M170-H182 VanDerWaalsContact CE-CD2 3.42Å; M170-H182 WeakPolarHBondContact CE-CD2 3.44Å; M170-H182 WeakPolarHBondContact CE-NE2 3.48Å; L173-H182 HydrophobicContact CB-CB 3.97Å; I178-H182 PolarHBondContact O-N 3.17Å; N179-H182 PolarHBondContact O-CE1 2.95Å; N179-H182 PolarHBondContact O-ND1 3.02Å; H182-M185 PolarHBondContact O-N 3.17Å; H182-A186 WeakPolarHBondContact O-CB 3.44Å; H182-A186 PolarHBondContact O-N 2.67Å
183	R	88.7	Confident	84.5	Confident	110 Å²	110	41.1 Å²	41.1	42%	0.415	20%	0.195	S	C	.	.	H	α-helix	trans	-63.9	-49.2	177	-172.4	175.2	-176.4	106.1	7.1	112.9	E163 M170 C181 M185 A186 E187	E163-R183 IonicContact OE1-CZ 2.7Å; E163-R183 IonicContact OE1-NH1 2.65Å; E163-R183 PolarHBondContact OE1-NH1 2.88Å; E163-R183 IonicContact OE1-NH2 3.64Å; E163-R183 PolarHBondContact OE1-NH2 3.15Å; E163-R183 VanDerWaalsContact OE1-NH2 3.16Å; E163-R183 IonicContact OE2-NH2 2.71Å; E163-R183 PolarHBondContact OE2-NH2 2.93Å; M170-R183 HydrophobicContact CE-CB 4.37Å; M170-R183 HydrophobicContact SD-CB 4.46Å; M170-R183 HydrophobicContact SD-CG 4.34Å; C181-R183 VanDerWaalsContact C-N 3.29Å; C181-R183 PolarHBondContact O-N 3.36Å; R183-M185 VanDerWaalsContact C-N 3.29Å; R183-M185 PolarHBondContact O-N 3Å; R183-A186 PolarHBondContact O-N 2.61Å; R183-E187 IonicContact CZ-OE1 3.07Å; R183-E187 IonicContact NE-OE1 2.75Å; R183-E187 PolarHBondContact NE-OE1 2.89Å; R183-E187 IonicContact NH2-OE1 3.71Å; R183-E187 WeakPolarHBondContact O-CG 3.4Å; R183-E187 PolarHBondContact O-N 3.09Å
184	Q	90.3	Very high	84.6	Confident	70 Å²	70	42.8 Å²	42.8	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-42.8	178.2	-179.3	-174.7	3.8	0	0	110.8	C181 E187 I188 E220 T222	C181-Q184 PolarHBondContact O-N 3.09Å; Q184-E187 PolarHBondContact O-N 3.39Å; Q184-I188 HydrophobicContact CG-CD1 4.07Å; Q184-I188 WeakPolarHBondContact O-CB 3.19Å; Q184-I188 VanDerWaalsContact O-CG1 3.25Å; Q184-I188 WeakPolarHBondContact O-CG1 3.5Å; Q184-I188 PolarHBondContact O-N 3.02Å; Q184-E220 PolarHBondContact NE2-O 2.81Å; Q184-E220 PolarHBondContact OE1-O 3.33Å; Q184-T222 PolarHBondContact NE2-O 2.96Å
185	M	90.1	Very high	85	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.1	-39.7	178.1	-67	-61.5	-172.2	0	0	112.6	L173 I178 C181 H182 R183 I188 A189 L219 T222 L402	L173-M185 HydrophobicContact CD1-CB 3.82Å; I178-M185 HydrophobicContact CD1-CG 4.37Å; I178-M185 HydrophobicContact CG2-CB 4.28Å; I178-M185 HydrophobicContact CG2-CE 4.31Å; I178-M185 HydrophobicContact CG2-CG 3.52Å; C181-M185 PolarHBondContact O-N 3.2Å; H182-M185 PolarHBondContact O-N 3.17Å; R183-M185 VanDerWaalsContact C-N 3.29Å; R183-M185 PolarHBondContact O-N 3Å; M185-I188 PolarHBondContact O-N 3.09Å; M185-A189 WeakPolarHBondContact O-CB 3.1Å; M185-A189 PolarHBondContact O-N 3.34Å; M185-L219 HydrophobicContact CE-CD1 3.74Å; M185-L219 HydrophobicContact CE-CD2 4.39Å; M185-L219 HydrophobicContact CE-CG 3.65Å; M185-L219 WeakPolarHBondContact CE-O 3.22Å; M185-T222 VanDerWaalsContact CE-CB 3.48Å; M185-T222 HydrophobicContact CE-CG2 3.66Å; M185-T222 WeakPolarHBondContact CE-OG1 3.5Å; M185-T222 HydrophobicContact SD-CG2 3.55Å; M185-T222 VanDerWaalsContact SD-CG2 3.55Å; M185-L402 HydrophobicContact CB-CD2 4.07Å; M185-L402 HydrophobicContact SD-CD1 4.1Å; M185-L402 HydrophobicContact SD-CD2 4.28Å
186	A	91.1	Very high	85.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-46.5	174.4	0	0	0	0	0	111	I166 A169 M170 L173 H182 R183 I188 A189 V190	I166-A186 HydrophobicContact CG2-CB 4.05Å; A169-A186 HydrophobicContact CB-CB 3.82Å; M170-A186 HydrophobicContact CG-CB 3.76Å; L173-A186 HydrophobicContact CD1-CB 4.04Å; H182-A186 WeakPolarHBondContact O-CB 3.44Å; H182-A186 PolarHBondContact O-N 2.67Å; R183-A186 PolarHBondContact O-N 2.61Å; A186-I188 VanDerWaalsContact C-N 3.33Å; A186-I188 PolarHBondContact O-N 2.94Å; A186-A189 PolarHBondContact O-N 3.38Å; A186-V190 WeakPolarHBondContact O-CB 3.4Å; A186-V190 VanDerWaalsContact O-CG2 3.27Å; A186-V190 WeakPolarHBondContact O-CG2 3.44Å; A186-V190 PolarHBondContact O-N 3.04Å
187	E	92.2	Very high	85.7	Confident	69 Å²	69	42.5 Å²	42.5	32%	0.322	20%	0.201	S	C	.	.	H	α-helix	trans	-60.8	-41.9	175.8	-73.1	172.8	-168.5	0	0	111.6	I166 R183 Q184 N191	I166-E187 HydrophobicContact CD1-CG 3.9Å; I166-E187 HydrophobicContact CG1-CG 4.25Å; I166-E187 HydrophobicContact CG2-CG 4.21Å; R183-E187 IonicContact CZ-OE1 3.07Å; R183-E187 IonicContact NE-OE1 2.75Å; R183-E187 PolarHBondContact NE-OE1 2.89Å; R183-E187 IonicContact NH2-OE1 3.71Å; R183-E187 WeakPolarHBondContact O-CG 3.4Å; R183-E187 PolarHBondContact O-N 3.09Å; Q184-E187 PolarHBondContact O-N 3.39Å; E187-N191 VanDerWaalsContact O-CB 3.26Å; E187-N191 WeakPolarHBondContact O-CB 3.4Å; E187-N191 PolarHBondContact O-N 3.14Å; E187-N191 PolarHBondContact O-ND2 3.21Å
188	I	93	Very high	86.2	Confident	15 Å²	15	42 Å²	42	8%	0.077	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-47.6	175.3	-74.4	171.1	0	0	0	111.1	Q184 M185 A186 N191 A192 T222 L224 I385	Q184-I188 HydrophobicContact CG-CD1 4.07Å; Q184-I188 WeakPolarHBondContact O-CB 3.19Å; Q184-I188 VanDerWaalsContact O-CG1 3.25Å; Q184-I188 WeakPolarHBondContact O-CG1 3.5Å; Q184-I188 PolarHBondContact O-N 3.02Å; M185-I188 PolarHBondContact O-N 3.09Å; A186-I188 VanDerWaalsContact C-N 3.33Å; A186-I188 PolarHBondContact O-N 2.94Å; I188-N191 PolarHBondContact O-N 3.27Å; I188-A192 WeakPolarHBondContact O-CB 3.41Å; I188-A192 PolarHBondContact O-N 3.02Å; I188-T222 HydrophobicContact CD1-CG2 4.11Å; I188-T222 WeakPolarHBondContact CD1-O 3.49Å; I188-L224 HydrophobicContact CG1-CB 4.39Å; I188-L224 HydrophobicContact CG2-CB 4.16Å; I188-L224 HydrophobicContact CG2-CD1 4.21Å; I188-I385 HydrophobicContact CG2-CD1 4.46Å; I188-I385 HydrophobicContact CG2-CG1 4.31Å; I188-I385 HydrophobicContact CG2-CG2 3.75Å
189	A	92.4	Very high	86.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-45.5	-179.6	0	0	0	0	0	111.6	M185 A186 A192 V193 L402 A405 L406 I409	M185-A189 WeakPolarHBondContact O-CB 3.1Å; M185-A189 PolarHBondContact O-N 3.34Å; A186-A189 PolarHBondContact O-N 3.38Å; A189-A192 WeakPolarHBondContact O-CB 3.28Å; A189-A192 PolarHBondContact O-N 3.37Å; A189-V193 WeakPolarHBondContact O-CG2 3.49Å; A189-V193 PolarHBondContact O-N 3.45Å; A189-L402 HydrophobicContact CB-CD2 4.26Å; A189-A405 HydrophobicContact CB-CB 4.37Å; A189-L406 HydrophobicContact CB-CD2 3.98Å; A189-L406 HydrophobicContact CB-CG 4.47Å; A189-I409 HydrophobicContact CB-CD1 3.74Å
190	V	91.8	Very high	86.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-47.3	177.2	172.9	0	0	0	0	110.8	T162 L165 I166 A169 A186 A192 V193 L194 I409	T162-V190 HydrophobicContact CG2-CG1 4.34Å; L165-V190 HydrophobicContact CB-CG1 4Å; L165-V190 HydrophobicContact CB-CG2 3.82Å; L165-V190 HydrophobicContact CD1-CG1 4.12Å; I166-V190 HydrophobicContact CG1-CB 4.3Å; I166-V190 HydrophobicContact CG1-CG1 4.42Å; I166-V190 HydrophobicContact CG1-CG2 3.99Å; A169-V190 HydrophobicContact CB-CG2 4.46Å; A186-V190 WeakPolarHBondContact O-CB 3.4Å; A186-V190 VanDerWaalsContact O-CG2 3.27Å; A186-V190 WeakPolarHBondContact O-CG2 3.44Å; A186-V190 PolarHBondContact O-N 3.04Å; V190-A192 VanDerWaalsContact C-N 3.31Å; V190-A192 PolarHBondContact O-N 3.4Å; V190-V193 PolarHBondContact O-N 3.47Å; V190-L194 HydrophobicContact CG1-CD1 3.62Å; V190-L194 HydrophobicContact CG1-CG 4.2Å; V190-L194 WeakPolarHBondContact O-CB 3.47Å; V190-L194 VanDerWaalsContact O-CG 3.22Å; V190-L194 WeakPolarHBondContact O-CG 3.37Å; V190-L194 PolarHBondContact O-N 3.46Å; V190-I409 HydrophobicContact CB-CD1 4.35Å; V190-I409 HydrophobicContact CG2-CD1 3.56Å; V190-I409 HydrophobicContact CG2-CG1 4.11Å
191	N	91	Very high	87.3	Confident	76 Å²	76	46.8 Å²	46.8	41%	0.406	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-36.8	177.7	-74	-39.6	0	0	0	112.5	E187 I188 T195 L224	E187-N191 VanDerWaalsContact O-CB 3.26Å; E187-N191 WeakPolarHBondContact O-CB 3.4Å; E187-N191 PolarHBondContact O-N 3.14Å; E187-N191 PolarHBondContact O-ND2 3.21Å; I188-N191 PolarHBondContact O-N 3.27Å; N191-T195 WeakPolarHBondContact O-CB 3.34Å; N191-T195 PolarHBondContact O-N 3.29Å; N191-T195 VanDerWaalsContact O-N 3.14Å; N191-T195 PolarHBondContact O-OG1 3.33Å; N191-L224 HydrophobicContact CB-CD2 3.54Å
192	A	92.1	Very high	87.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-53.1	175.4	0	0	0	0	0	110.8	I188 A189 V190 L194 T195 V196 L224 V383 I385 L406	I188-A192 WeakPolarHBondContact O-CB 3.41Å; I188-A192 PolarHBondContact O-N 3.02Å; A189-A192 WeakPolarHBondContact O-CB 3.28Å; A189-A192 PolarHBondContact O-N 3.37Å; V190-A192 VanDerWaalsContact C-N 3.31Å; V190-A192 PolarHBondContact O-N 3.4Å; A192-L194 PolarHBondContact O-N 2.91Å; A192-T195 PolarHBondContact O-N 2.87Å; A192-V196 WeakPolarHBondContact O-CG2 3.38Å; A192-V196 PolarHBondContact O-N 2.97Å; A192-L224 HydrophobicContact CB-CD1 3.76Å; A192-V383 HydrophobicContact CB-CG1 4.44Å; A192-I385 HydrophobicContact CB-CD1 3.92Å; A192-I385 HydrophobicContact CB-CG1 4.17Å; A192-L406 HydrophobicContact CB-CD2 4.16Å
193	V	90.8	Very high	87.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-45.4	-178.9	174.8	0	0	0	0	111.5	A189 V190 T195 V196 A197 V204 I209 L406 I409 V413	A189-V193 WeakPolarHBondContact O-CG2 3.49Å; A189-V193 PolarHBondContact O-N 3.45Å; V190-V193 PolarHBondContact O-N 3.47Å; V193-T195 PolarHBondContact O-N 3.44Å; V193-V196 PolarHBondContact O-N 3.37Å; V193-V196 VanDerWaalsContact O-N 3.13Å; V193-A197 WeakPolarHBondContact O-CB 3.44Å; V193-A197 PolarHBondContact O-N 3.35Å; V193-V204 HydrophobicContact CG1-CB 4.46Å; V193-V204 HydrophobicContact CG1-CG1 4.05Å; V193-V204 HydrophobicContact CG1-CG2 3.62Å; V193-I209 HydrophobicContact CG2-CD1 4.4Å; V193-L406 HydrophobicContact CG2-CB 4.37Å; V193-L406 HydrophobicContact CG2-CD2 3.5Å; V193-I409 HydrophobicContact CB-CB 4.48Å; V193-I409 HydrophobicContact CB-CG2 3.79Å; V193-I409 HydrophobicContact CG1-CG2 3.72Å; V193-I409 HydrophobicContact CG2-CB 4.17Å; V193-I409 HydrophobicContact CG2-CG2 4.03Å; V193-V413 HydrophobicContact CG1-CG2 4.14Å
194	L	88.2	Confident	87.3	Confident	35 Å²	35	45.3 Å²	45.3	18%	0.183	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-30.3	179.9	-69.9	174.5	0	0	0	113.2	Y157 T162 L165 V190 A192 M199	Y157-L194 HydrophobicContact CE2-CD2 3.89Å; Y157-L194 VanDerWaalsContact OH-CD2 3.23Å; Y157-L194 WeakPolarHBondContact OH-CD2 3.41Å; T162-L194 HydrophobicContact CG2-CD1 3.53Å; L165-L194 HydrophobicContact CD1-CD2 4.3Å; V190-L194 HydrophobicContact CG1-CD1 3.62Å; V190-L194 HydrophobicContact CG1-CG 4.2Å; V190-L194 WeakPolarHBondContact O-CB 3.47Å; V190-L194 VanDerWaalsContact O-CG 3.22Å; V190-L194 WeakPolarHBondContact O-CG 3.37Å; V190-L194 PolarHBondContact O-N 3.46Å; A192-L194 PolarHBondContact O-N 2.91Å; L194-M199 HydrophobicContact CD2-CE 4.28Å
195	T	87.9	Confident	87.1	Confident	41 Å²	41	45.5 Å²	45.5	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-72.7	-32.6	177.5	-58	0	0	0	0	111.8	N191 A192 V193 S380 V383	N191-T195 WeakPolarHBondContact O-CB 3.34Å; N191-T195 PolarHBondContact O-N 3.29Å; N191-T195 VanDerWaalsContact O-N 3.14Å; N191-T195 PolarHBondContact O-OG1 3.33Å; A192-T195 PolarHBondContact O-N 2.87Å; V193-T195 PolarHBondContact O-N 3.44Å; T195-S380 WeakPolarHBondContact CG2-O 3.35Å; T195-V383 HydrophobicContact CG2-CG2 3.58Å
196	V	87.1	Confident	86.9	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-91.8	-30	-177.6	179.6	0	0	0	0	112.7	A192 V193 D198 V204 L208 I209 R381 V383	A192-V196 WeakPolarHBondContact O-CG2 3.38Å; A192-V196 PolarHBondContact O-N 2.97Å; V193-V196 PolarHBondContact O-N 3.37Å; V193-V196 VanDerWaalsContact O-N 3.13Å; V196-D198 PolarHBondContact O-N 3.16Å; V196-V204 HydrophobicContact CG1-CG1 4.36Å; V196-L208 HydrophobicContact CG1-CB 3.66Å; V196-L208 HydrophobicContact CG1-CD1 3.72Å; V196-L208 HydrophobicContact CG1-CG 4.29Å; V196-L208 HydrophobicContact CG2-CB 4.46Å; V196-I209 HydrophobicContact CB-CD1 4.38Å; V196-I209 HydrophobicContact CB-CG1 4.28Å; V196-I209 HydrophobicContact CG1-CG1 4.38Å; V196-I209 HydrophobicContact CG2-CD1 4.16Å; V196-I209 HydrophobicContact CG2-CG1 3.67Å; V196-R381 VanDerWaalsContact CG2-O 3.26Å; V196-R381 WeakPolarHBondContact CG2-O 3.25Å; V196-V383 HydrophobicContact CG2-CB 4.31Å; V196-V383 HydrophobicContact CG2-CG2 3.78Å
197	A	83.7	Confident	86.7	Confident	14 Å²	14	55.1 Å²	55.1	12%	0.116	27%	0.268	C	S	.	.			trans	-58.2	128.3	-173.4	0	0	0	0	0	112.4	V193 M199 V204 V413	V193-A197 WeakPolarHBondContact O-CB 3.44Å; V193-A197 PolarHBondContact O-N 3.35Å; A197-M199 HydrophobicContact CB-CE 4.18Å; A197-V204 HydrophobicContact CB-CG2 4.06Å; A197-V413 HydrophobicContact CB-CG1 4.38Å
198	D	81.9	Confident	86.4	Confident	54 Å²	54	52.6 Å²	52.6	29%	0.289	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-89.7	107	168.5	-170.6	-25.5	0	0	0	109.1	V196 N200 R201 K202 D203	V196-D198 PolarHBondContact O-N 3.16Å; D198-N200 PolarHBondContact O-N 3.36Å; D198-N200 WeakPolarHBondContact OD1-CB 3.36Å; D198-N200 PolarHBondContact OD1-N 3.44Å; D198-R201 HydrophobicContact CB-CB 4.29Å; D198-R201 PolarHBondContact O-N 3.01Å; D198-K202 WeakPolarHBondContact O-CA 3.34Å; D198-K202 PolarHBondContact O-N 3.26Å; D198-D203 PolarHBondContact N-O 3.19Å
199	M	76.7	Confident	86.3	Confident	87 Å²	87	52.5 Å²	52.5	43%	0.429	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.1	-177.1	-60	-61.5	165.2	0	0	113.1	Y157 L194 A197	Y157-M199 HydrophobicContact CE1-CE 4.43Å; Y157-M199 HydrophobicContact CE1-SD 3.85Å; Y157-M199 WeakPolarHBondContact OH-CE 3.44Å; Y157-M199 PolarHBondContact OH-SD 3.42Å; L194-M199 HydrophobicContact CD2-CE 4.28Å; A197-M199 HydrophobicContact CB-CE 4.18Å
200	N	81.4	Confident	86.3	Confident	160 Å²	160	53.8 Å²	53.8	86%	0.856	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-39.5	179.8	-64.6	-40.2	0	0	0	111.2	D198	D198-N200 PolarHBondContact O-N 3.36Å; D198-N200 WeakPolarHBondContact OD1-CB 3.36Å; D198-N200 PolarHBondContact OD1-N 3.44Å
201	R	82.4	Confident	86.3	Confident	183 Å²	183	56.3 Å²	56.3	69%	0.691	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-15.7	179.7	-168.1	175.2	154	162.2	-7.8	112.6	D198 D203	D198-R201 HydrophobicContact CB-CB 4.29Å; D198-R201 PolarHBondContact O-N 3.01Å; R201-D203 HydrophobicContact CB-CB 4.32Å; R201-D203 HydrophobicContact CG-CB 3.86Å; R201-D203 IonicContact CZ-OD2 2.86Å; R201-D203 IonicContact NE-OD2 2.94Å; R201-D203 PolarHBondContact NE-OD2 3.47Å; R201-D203 IonicContact NH2-OD2 2.69Å; R201-D203 PolarHBondContact NH2-OD2 3.46Å; R201-D203 VanDerWaalsContact NH2-OD2 3.08Å; R201-D203 PolarHBondContact O-N 3.01Å
202	K	82.9	Confident	86.3	Confident	111 Å²	111	54.3 Å²	54.3	48%	0.483	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	43.5	-171.3	-64	-171.9	176.3	-168.9	0	111.8	D198 R414	D198-K202 WeakPolarHBondContact O-CA 3.34Å; D198-K202 PolarHBondContact O-N 3.26Å; K202-R414 WeakPolarHBondContact O-CG 3.39Å
203	D	82.9	Confident	86.2	Confident	33 Å²	33	54.9 Å²	54.9	18%	0.176	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-133.8	148.5	-176	-160.2	14.4	0	0	0	110.1	D198 R201 R410 R414	D198-D203 PolarHBondContact N-O 3.19Å; R201-D203 HydrophobicContact CB-CB 4.32Å; R201-D203 HydrophobicContact CG-CB 3.86Å; R201-D203 IonicContact CZ-OD2 2.86Å; R201-D203 IonicContact NE-OD2 2.94Å; R201-D203 PolarHBondContact NE-OD2 3.47Å; R201-D203 IonicContact NH2-OD2 2.69Å; R201-D203 PolarHBondContact NH2-OD2 3.46Å; R201-D203 VanDerWaalsContact NH2-OD2 3.08Å; R201-D203 PolarHBondContact O-N 3.01Å; D203-R410 IonicContact OD1-NE 3.47Å; D203-R414 IonicContact OD1-CZ 3.46Å; D203-R414 IonicContact OD1-NE 3.74Å; D203-R414 PolarHBondContact OD1-NE 2.89Å; D203-R414 IonicContact OD1-NH2 2.7Å; D203-R414 PolarHBondContact OD1-NH2 3.02Å
204	V	84.3	Confident	86.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.275	C	S	.	.			trans	-124.5	124.9	179.9	-173.2	0	0	0	0	106.5	V193 V196 A197 I209 R410 V413	V193-V204 HydrophobicContact CG1-CB 4.46Å; V193-V204 HydrophobicContact CG1-CG1 4.05Å; V193-V204 HydrophobicContact CG1-CG2 3.62Å; V196-V204 HydrophobicContact CG1-CG1 4.36Å; A197-V204 HydrophobicContact CB-CG2 4.06Å; V204-I209 HydrophobicContact CG1-CD1 4.24Å; V204-R410 HydrophobicContact CB-CB 4.22Å; V204-R410 HydrophobicContact CB-CG 3.91Å; V204-R410 HydrophobicContact CG2-CB 4.19Å; V204-R410 HydrophobicContact CG2-CG 4.1Å; V204-R410 PolarHBondContact O-NE 3.18Å; V204-R410 VanDerWaalsContact O-NE 3.09Å; V204-R410 PolarHBondContact O-NH2 3.18Å; V204-V413 HydrophobicContact CG2-CB 4.35Å; V204-V413 HydrophobicContact CG2-CG1 4.23Å
205	D	85.4	Confident	86.2	Confident	75 Å²	75	58.1 Å²	58.1	40%	0.401	29%	0.286	S	S	.	.			trans	-95.4	117.9	176.1	-167.4	-11.4	0	0	0	109.2	E207 L208	D205-E207 VanDerWaalsContact C-N 3.3Å; D205-E207 PolarHBondContact OD1-N 3.48Å; D205-E207 VanDerWaalsContact OD1-N 3.1Å; D205-L208 HydrophobicContact CB-CD1 4.07Å; D205-L208 HydrophobicContact CB-CG 4.18Å; D205-L208 PolarHBondContact O-N 3.39Å
206	F	86.1	Confident	86	Confident	50 Å²	50	57.2 Å²	57.2	22%	0.219	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-74.5	-21.1	-179.2	-71.9	-54.9	0	0	0	112.9	L208 I209 L406 C407 R410	F206-L208 PolarHBondContact O-N 3.49Å; F206-L208 VanDerWaalsContact O-N 3.15Å; F206-I209 HydrophobicContact CD1-CD1 4.45Å; F206-I209 PolarHBondContact O-N 2.9Å; F206-L406 HydrophobicContact CE1-CB 3.97Å; F206-C407 HydrophobicContact CZ-CB 4.28Å; F206-C407 WeakPolarHBondContact CZ-SG 3.34Å; F206-R410 VanDerWaalsContact CE2-NH1 3.3Å; F206-R410 HydrophobicContact CZ-CB 4.07Å; F206-R410 HydrophobicContact CZ-CG 4.33Å
207	E	86	Confident	85.9	Confident	152 Å²	152	59.1 Å²	59.1	71%	0.71	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-63.2	-23.1	176.9	-64	-174.7	171.7	0	0	111.8	D205 L332	D205-E207 VanDerWaalsContact C-N 3.3Å; D205-E207 PolarHBondContact OD1-N 3.48Å; D205-E207 VanDerWaalsContact OD1-N 3.1Å; E207-L332 WeakPolarHBondContact O-CD2 3.48Å
208	L	87.4	Confident	86.1	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.079	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-83.4	-12	177	-60.7	-179.3	0	0	0	113.9	V196 D205 F206 I335 R381 A382 V383	V196-L208 HydrophobicContact CG1-CB 3.66Å; V196-L208 HydrophobicContact CG1-CD1 3.72Å; V196-L208 HydrophobicContact CG1-CG 4.29Å; V196-L208 HydrophobicContact CG2-CB 4.46Å; D205-L208 HydrophobicContact CB-CD1 4.07Å; D205-L208 HydrophobicContact CB-CG 4.18Å; D205-L208 PolarHBondContact O-N 3.39Å; F206-L208 PolarHBondContact O-N 3.49Å; F206-L208 VanDerWaalsContact O-N 3.15Å; L208-I335 HydrophobicContact CD2-CD1 3.97Å; L208-I335 HydrophobicContact CD2-CG2 3.8Å; L208-R381 WeakPolarHBondContact CB-O 3.32Å; L208-A382 WeakPolarHBondContact O-CA 3.27Å; L208-V383 PolarHBondContact O-N 3.39Å
209	I	91	Very high	86.2	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.072	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	103.9	178.9	-56.5	176.2	0	0	0	108.5	V193 V196 V204 F206 V383 I385 L406	V193-I209 HydrophobicContact CG2-CD1 4.4Å; V196-I209 HydrophobicContact CB-CD1 4.38Å; V196-I209 HydrophobicContact CB-CG1 4.28Å; V196-I209 HydrophobicContact CG1-CG1 4.38Å; V196-I209 HydrophobicContact CG2-CD1 4.16Å; V196-I209 HydrophobicContact CG2-CG1 3.67Å; V204-I209 HydrophobicContact CG1-CD1 4.24Å; F206-I209 HydrophobicContact CD1-CD1 4.45Å; F206-I209 PolarHBondContact O-N 2.9Å; I209-V383 CarbonylContact C-O 3.58Å; I209-V383 WeakPolarHBondContact CA-O 3.46Å; I209-I385 HydrophobicContact CG2-CD1 4.1Å; I209-I385 HydrophobicContact CG2-CG1 4.36Å; I209-L406 HydrophobicContact CD1-CD2 4.43Å; I209-L406 HydrophobicContact CG2-CD1 4.09Å
210	K	90.9	Very high	86.7	Confident	27 Å²	27	64.4 Å²	64.4	12%	0.117	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.3	174.6	-173.6	178.8	179.9	-177.6	0	109.8	E212 I229 E329 L332 V383 T384 I385	K210-E212 WeakPolarHBondContact CE-OE2 3.5Å; K210-E212 IonicContact NZ-OE2 2.78Å; K210-I229 PolarHBondContact NZ-O 3.42Å; K210-E329 IonicContact NZ-OE1 3.49Å; K210-E329 PolarHBondContact NZ-OE1 3.4Å; K210-L332 HydrophobicContact CB-CD1 4.23Å; K210-L332 HydrophobicContact CD-CD1 4.18Å; K210-L332 HydrophobicContact CG-CD1 4.5Å; K210-V383 PolarHBondContact N-O 3.43Å; K210-T384 HydrophobicContact CB-CG2 4.06Å; K210-T384 HydrophobicContact CD-CG2 4.37Å; K210-T384 HydrophobicContact CG-CG2 4.21Å; K210-T384 CarbonylContact O-C 3.56Å; K210-T384 WeakPolarHBondContact O-CA 3.46Å; K210-T384 WeakPolarHBondContact O-CG2 3.36Å; K210-I385 PolarHBondContact O-N 3.24Å
211	M	91.8	Very high	87.1	Confident	54 Å²	54	60.3 Å²	60.3	27%	0.266	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	110	168.9	-68.2	-178.1	-70.7	0	0	109.1	I385 L402 H403 L406	M211-I385 HydrophobicContact CG-CB 4.47Å; M211-L402 HydrophobicContact SD-CB 4.32Å; M211-H403 HydrophobicContact CE-CB 3.97Å; M211-H403 HydrophobicContact SD-CB 4.42Å; M211-L406 HydrophobicContact SD-CD1 4Å
212	E	90.9	Very high	87.4	Confident	33 Å²	33	51.6 Å²	51.6	15%	0.154	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.9	179.7	-170.9	60.8	-137	0	0	109	K210 T384 I385 F386 I387	K210-E212 WeakPolarHBondContact CE-OE2 3.5Å; K210-E212 IonicContact NZ-OE2 2.78Å; E212-T384 HydrophobicContact CB-CG2 4.03Å; E212-I385 PolarHBondContact N-O 3.35Å; E212-F386 HydrophobicContact CB-CD2 4.41Å; E212-F386 HydrophobicContact CG-CD2 4.47Å; E212-F386 CarbonylContact O-C 3.54Å; E212-F386 WeakPolarHBondContact O-CA 3.4Å; E212-I387 PolarHBondContact O-N 3.39Å
213	G	90.9	Very high	87.8	Confident	12 Å²	12	51.6 Å²	51.6	12%	0.124	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.6	-174.8	0	0	0	0	0	111.8	I387 K399	G213-I387 WeakPolarHBondContact CA-O 3.4Å; G213-K399 VanDerWaalsContact CA-CE 3.49Å
214	K	89	Confident	88.3	Confident	35 Å²	35	52 Å²	52	15%	0.152	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.6	-173.9	-80.8	-83.6	-176.8	168	0	112.8	D231 M371 F386 I387 I395	K214-D231 WeakPolarHBondContact CE-OD1 3.45Å; K214-D231 VanDerWaalsContact CE-OD2 3.28Å; K214-D231 WeakPolarHBondContact CE-OD2 3.44Å; K214-D231 IonicContact NZ-OD1 3.62Å; K214-D231 PolarHBondContact NZ-OD1 3.11Å; K214-D231 IonicContact NZ-OD2 2.69Å; K214-D231 PolarHBondContact NZ-OD2 3.44Å; K214-M371 HydrophobicContact CB-CE 3.77Å; K214-M371 HydrophobicContact CB-SD 4.4Å; K214-M371 HydrophobicContact CD-CE 3.28Å; K214-M371 HydrophobicContact CD-SD 4.3Å; K214-M371 HydrophobicContact CG-CE 3.24Å; K214-M371 HydrophobicContact CG-SD 3.73Å; K214-F386 HydrophobicContact CB-CE2 3.95Å; K214-F386 HydrophobicContact CB-CZ 4.1Å; K214-F386 HydrophobicContact CG-CE2 4.09Å; K214-I387 PolarHBondContact N-O 3.26Å; K214-I395 VanDerWaalsContact O-CD1 3.29Å; K214-I395 WeakPolarHBondContact O-CD1 3.12Å
215	V	89.3	Confident	88.5	Confident	68 Å²	68	52.3 Å²	52.3	41%	0.412	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	143.5	-178	-65.8	0	0	0	0	111.7	R388 K392 I395	V215-R388 PolarHBondContact O-NH2 2.97Å; V215-K392 HydrophobicContact CG1-CB 4.26Å; V215-I395 HydrophobicContact CB-CD1 4.25Å; V215-I395 HydrophobicContact CG1-CD1 3.76Å
216	G	84.6	Confident	88.7	Confident	22 Å²	22	54.5 Å²	54.5	23%	0.227	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	105.1	159.6	179.2	0	0	0	0	0	113.3	R388 G389	G216-R388 PolarHBondContact O-NE 3.1Å; G216-R388 PolarHBondContact O-NH2 3.34Å; G216-G389 PolarHBondContact N-O 3.17Å
217	G	84.6	Confident	88.8	Confident	43 Å²	43	52.2 Å²	52.2	44%	0.443	27%	0.27	S	S	.	.	S	Bend	trans	74.5	-165.1	-173.6	0	0	0	0	0	112.4
218	K	87.4	Confident	89	Confident	133 Å²	133	45 Å²	45	58%	0.578	24%	0.237	S	C	*	.			trans	-106.2	162.4	177	-64.7	-179.7	179.9	-179.7	0	110.6	E220 D221 R388	K218-E220 HydrophobicContact CB-CB 4.4Å; K218-E220 PolarHBondContact O-N 2.89Å; K218-D221 PolarHBondContact N-OD2 3.3Å; K218-D221 WeakPolarHBondContact O-CB 3.38Å; K218-D221 PolarHBondContact O-N 3.28Å; K218-D221 VanDerWaalsContact O-N 3.11Å; K218-R388 VanDerWaalsContact O-CB 3.25Å; K218-R388 WeakPolarHBondContact O-CB 3.49Å
219	L	85.4	Confident	89.2	Confident	28 Å²	28	44.3 Å²	44.3	15%	0.147	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-60.4	-32	173.2	-169.4	69.2	0	0	0	112.2	I178 M185 D221 T222 I387 R388 I394 A398	I178-L219 HydrophobicContact CB-CD2 4.29Å; I178-L219 HydrophobicContact CG1-CD2 4.29Å; I178-L219 HydrophobicContact CG2-CD2 3.73Å; M185-L219 HydrophobicContact CE-CD1 3.74Å; M185-L219 HydrophobicContact CE-CD2 4.39Å; M185-L219 HydrophobicContact CE-CG 3.65Å; M185-L219 WeakPolarHBondContact CE-O 3.22Å; L219-D221 PolarHBondContact O-N 3.46Å; L219-T222 VanDerWaalsContact O-CB 3.28Å; L219-T222 WeakPolarHBondContact O-CB 3.47Å; L219-T222 PolarHBondContact O-N 3.01Å; L219-T222 PolarHBondContact O-OG1 3.09Å; L219-I387 HydrophobicContact CD1-CG2 4.48Å; L219-R388 WeakPolarHBondContact CA-O 3.44Å; L219-R388 WeakPolarHBondContact CD1-O 3.29Å; L219-I394 HydrophobicContact CD1-CG2 4.44Å; L219-A398 HydrophobicContact CD1-CB 3.87Å
220	E	87	Confident	89.2	Confident	104 Å²	104	43.6 Å²	43.6	49%	0.486	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-60.9	-23	175.4	-65	167.9	-178.4	0	0	113.4	C181 Q184 K218 T222	C181-E220 WeakPolarHBondContact SG-CG 3.19Å; Q184-E220 PolarHBondContact NE2-O 2.81Å; Q184-E220 PolarHBondContact OE1-O 3.33Å; K218-E220 HydrophobicContact CB-CB 4.4Å; K218-E220 PolarHBondContact O-N 2.89Å; E220-T222 PolarHBondContact O-N 3.19Å
221	D	88.3	Confident	89	Confident	74 Å²	74	44.9 Å²	44.9	40%	0.396	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-78.2	4.7	179.6	-58	-35.5	0	0	0	112.5	K218 L219 R388	K218-D221 PolarHBondContact N-OD2 3.3Å; K218-D221 WeakPolarHBondContact O-CB 3.38Å; K218-D221 PolarHBondContact O-N 3.28Å; K218-D221 VanDerWaalsContact O-N 3.11Å; L219-D221 PolarHBondContact O-N 3.46Å; D221-R388 HydrophobicContact CB-CB 4.02Å; D221-R388 HydrophobicContact CB-CG 3.96Å
222	T	90.2	Very high	88.9	Confident	1 Å²	1	46 Å²	46	1%	0.006	24%	0.241	C	C	.	.			trans	-68.5	132.3	178.6	-62.2	0	0	0	0	110.7	Q184 M185 I188 L219 E220 I385 F386 I387 R388	Q184-T222 PolarHBondContact NE2-O 2.96Å; M185-T222 VanDerWaalsContact CE-CB 3.48Å; M185-T222 HydrophobicContact CE-CG2 3.66Å; M185-T222 WeakPolarHBondContact CE-OG1 3.5Å; M185-T222 HydrophobicContact SD-CG2 3.55Å; M185-T222 VanDerWaalsContact SD-CG2 3.55Å; I188-T222 HydrophobicContact CD1-CG2 4.11Å; I188-T222 WeakPolarHBondContact CD1-O 3.49Å; L219-T222 VanDerWaalsContact O-CB 3.28Å; L219-T222 WeakPolarHBondContact O-CB 3.47Å; L219-T222 PolarHBondContact O-N 3.01Å; L219-T222 PolarHBondContact O-OG1 3.09Å; E220-T222 PolarHBondContact O-N 3.19Å; T222-I385 HydrophobicContact CG2-CG2 4.44Å; T222-F386 VanDerWaalsContact CA-O 3.26Å; T222-F386 WeakPolarHBondContact CA-O 3.25Å; T222-F386 VanDerWaalsContact CG2-O 3.32Å; T222-F386 WeakPolarHBondContact CG2-O 3.44Å; T222-I387 HydrophobicContact CG2-CB 4.44Å; T222-I387 HydrophobicContact CG2-CG1 4.09Å; T222-R388 PolarHBondContact OG1-N 3.19Å
223	Q	90.9	Very high	88.8	Confident	110 Å²	110	49.7 Å²	49.7	51%	0.514	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.4	-172	-68.7	176.6	20	0	0	111.7	F386	Q223-F386 PolarHBondContact N-O 3.21Å; Q223-F386 PolarHBondContact O-N 2.83Å
224	L	92.4	Very high	88.7	Confident	42 Å²	42	49.4 Å²	49.4	22%	0.22	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.1	169.3	-172.9	65.1	0	0	0	109.7	I188 N191 A192 V383 I385	I188-L224 HydrophobicContact CG1-CB 4.39Å; I188-L224 HydrophobicContact CG2-CB 4.16Å; I188-L224 HydrophobicContact CG2-CD1 4.21Å; N191-L224 HydrophobicContact CB-CD2 3.54Å; A192-L224 HydrophobicContact CB-CD1 3.76Å; L224-V383 HydrophobicContact CD1-CG1 3.31Å; L224-V383 HydrophobicContact CG-CG1 3.94Å; L224-I385 HydrophobicContact CD1-CG1 3.86Å
225	I	90.1	Very high	88.7	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.8	176	-53.3	-153.2	0	0	0	108.8	G227 I229 V373 E375 V383 T384 F386	I225-G227 PolarHBondContact O-N 3.41Å; I225-I229 HydrophobicContact CB-CD1 4.2Å; I225-I229 HydrophobicContact CB-CG1 4.33Å; I225-I229 HydrophobicContact CD1-CD1 3.33Å; I225-I229 HydrophobicContact CD1-CG1 3.76Å; I225-I229 HydrophobicContact CG1-CD1 3.81Å; I225-I229 HydrophobicContact CG1-CG1 4.35Å; I225-I229 HydrophobicContact CG2-CG1 4.35Å; I225-V373 HydrophobicContact CD1-CG1 3.61Å; I225-V373 HydrophobicContact CD1-CG2 4.19Å; I225-V373 HydrophobicContact CG2-CG1 3.53Å; I225-E375 HydrophobicContact CG2-CG 3.99Å; I225-V383 WeakPolarHBondContact O-CG1 3.11Å; I225-T384 PolarHBondContact N-O 3.04Å; I225-T384 PolarHBondContact O-N 2.81Å; I225-F386 HydrophobicContact CD1-CB 4.43Å; I225-F386 HydrophobicContact CG1-CB 4.4Å
226	K	88.4	Confident	88.6	Confident	121 Å²	121	47.3 Å²	47.3	53%	0.526	24%	0.242	S	C	.	.	S	Bend	trans	-76.8	72.3	173.9	-65.7	-176.2	179.5	-177.6	0	110.4
227	G	88.3	Confident	88.7	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-148	-178.8	0	0	0	0	0	110.9	I225 I374 A382 V383 T384	I225-G227 PolarHBondContact O-N 3.41Å; G227-I374 WeakPolarHBondContact CA-O 3.35Å; G227-A382 PolarHBondContact N-O 2.61Å; G227-V383 CarbonylContact O-C 3.49Å; G227-T384 PolarHBondContact O-N 3.37Å; G227-T384 PolarHBondContact O-OG1 3.45Å
228	V	90.5	Very high	88.8	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.1	-172.8	-172.4	0	0	0	0	111	I230 L332 I333 A336 I374 T384	V228-I230 HydrophobicContact CG1-CG1 4.38Å; V228-L332 HydrophobicContact CG1-CB 4.43Å; V228-L332 HydrophobicContact CG2-CB 4.18Å; V228-I333 HydrophobicContact CB-CG1 4.18Å; V228-I333 HydrophobicContact CG1-CG1 3.95Å; V228-I333 HydrophobicContact CG2-CG1 4.41Å; V228-A336 HydrophobicContact CG2-CB 3.77Å; V228-I374 PolarHBondContact N-O 3.05Å; V228-I374 PolarHBondContact O-N 3.43Å; V228-T384 WeakPolarHBondContact CA-OG1 3.39Å
229	I	91.4	Very high	88.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.9	169.9	-53.5	171.5	0	0	0	108.9	K210 I225 M371 L372 V373 T384 F386	K210-I229 PolarHBondContact NZ-O 3.42Å; I225-I229 HydrophobicContact CB-CD1 4.2Å; I225-I229 HydrophobicContact CB-CG1 4.33Å; I225-I229 HydrophobicContact CD1-CD1 3.33Å; I225-I229 HydrophobicContact CD1-CG1 3.76Å; I225-I229 HydrophobicContact CG1-CD1 3.81Å; I225-I229 HydrophobicContact CG1-CG1 4.35Å; I225-I229 HydrophobicContact CG2-CG1 4.35Å; I229-M371 HydrophobicContact CG2-CB 4.06Å; I229-M371 HydrophobicContact CG2-CG 4.36Å; I229-M371 HydrophobicContact CG2-SD 4.33Å; I229-L372 WeakPolarHBondContact CA-O 3.26Å; I229-V373 HydrophobicContact CG1-CG1 4.4Å; I229-V373 HydrophobicContact CG1-CG2 4.32Å; I229-V373 HydrophobicContact CG2-CG2 4.47Å; I229-T384 HydrophobicContact CB-CG2 3.98Å; I229-T384 HydrophobicContact CD1-CG2 3.6Å; I229-T384 HydrophobicContact CG1-CG2 3.78Å; I229-T384 PolarHBondContact N-OG1 3.08Å; I229-F386 HydrophobicContact CD1-CB 3.47Å; I229-F386 VanDerWaalsContact CD1-CB 3.47Å; I229-F386 HydrophobicContact CD1-CD2 3.71Å; I229-F386 HydrophobicContact CD1-CG 3.73Å
230	I	90.6	Very high	88.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.3	177.4	-49.7	170.3	0	0	0	107.9	V228 K232 V325 I333 L372 I374	V228-I230 HydrophobicContact CG1-CG1 4.38Å; I230-K232 HydrophobicContact CG2-CB 3.86Å; I230-K232 HydrophobicContact CG2-CG 3.69Å; I230-K232 PolarHBondContact O-N 3.03Å; I230-V325 HydrophobicContact CD1-CG1 4.49Å; I230-V325 HydrophobicContact CG2-CG1 4.42Å; I230-I333 HydrophobicContact CD1-CD1 3.35Å; I230-I333 HydrophobicContact CD1-CG1 4.2Å; I230-I333 HydrophobicContact CG1-CD1 4.07Å; I230-L372 HydrophobicContact CD1-CD2 4.16Å; I230-L372 PolarHBondContact N-O 3.18Å; I230-L372 PolarHBondContact O-N 2.55Å; I230-L372 VanDerWaalsContact O-N 3.07Å; I230-I374 HydrophobicContact CD1-CD1 4.14Å
231	D	88.2	Confident	88.9	Confident	53 Å²	53	51.9 Å²	51.9	28%	0.283	26%	0.259	S	S	.	.	S	Bend	trans	-80.3	57.5	173.3	-170.9	39.2	0	0	0	112	K214	K214-D231 WeakPolarHBondContact CE-OD1 3.45Å; K214-D231 VanDerWaalsContact CE-OD2 3.28Å; K214-D231 WeakPolarHBondContact CE-OD2 3.44Å; K214-D231 IonicContact NZ-OD1 3.62Å; K214-D231 PolarHBondContact NZ-OD1 3.11Å; K214-D231 IonicContact NZ-OD2 2.69Å; K214-D231 PolarHBondContact NZ-OD2 3.44Å
232	K	89.1	Confident	89	Confident	77 Å²	77	52.9 Å²	52.9	34%	0.335	26%	0.264	S	S	.	.			trans	-142.9	145.5	177.3	-61	-65.5	161.7	-126.3	0	109.9	I230 I322 W324 L372	I230-K232 HydrophobicContact CG2-CB 3.86Å; I230-K232 HydrophobicContact CG2-CG 3.69Å; I230-K232 PolarHBondContact O-N 3.03Å; K232-I322 HydrophobicContact CB-CG2 3.94Å; K232-W324 WeakPolarHBondContact CE-O 3.47Å; K232-L372 PolarHBondContact O-N 2.84Å
233	E	88.3	Confident	89	Confident	111 Å²	111	54 Å²	54	52%	0.519	27%	0.27	S	S	.	.			trans	-88.9	167.8	167.9	57.1	-178.4	-177.8	0	0	110.7	E361 R370	E233-E361 WeakPolarHBondContact CB-OE1 3.35Å; E233-R370 HydrophobicContact CB-CB 4.49Å
234	F	89.4	Confident	88.9	Confident	7 Å²	7	56.4 Å²	56.4	3%	0.031	28%	0.279	C	S	.	.			trans	-60.8	145.2	166.6	-75	-70.1	0	0	0	110.3	H236 M239 P240 L243 L299 P320 I322 V359 E361 L372	F234-H236 PolarHBondContact O-N 2.95Å; F234-H236 VanDerWaalsContact O-N 3.13Å; F234-M239 HydrophobicContact CB-CB 4.1Å; F234-M239 HydrophobicContact CB-SD 4.2Å; F234-M239 HydrophobicContact CG-CB 4.41Å; F234-P240 WeakPolarHBondContact CE2-O 3.28Å; F234-L243 HydrophobicContact CE1-CD1 4.24Å; F234-L243 HydrophobicContact CZ-CD1 4.18Å; F234-L299 HydrophobicContact CE1-CD1 3.86Å; F234-P320 HydrophobicContact CD1-CB 4.15Å; F234-P320 HydrophobicContact CE1-CB 3.99Å; F234-I322 HydrophobicContact CD1-CG1 4.42Å; F234-V359 HydrophobicContact CZ-CG1 4.29Å; F234-E361 HydrophobicContact CD2-CB 4Å; F234-E361 HydrophobicContact CE2-CB 3.85Å; F234-L372 HydrophobicContact CD1-CD1 4.16Å; F234-L372 HydrophobicContact CD2-CD1 4.1Å; F234-L372 HydrophobicContact CE1-CD1 3.63Å; F234-L372 HydrophobicContact CE2-CD1 3.56Å; F234-L372 HydrophobicContact CG-CD1 4.38Å; F234-L372 HydrophobicContact CZ-CD1 3.32Å
235	S	87.8	Confident	88.7	Confident	17 Å²	17	59.9 Å²	59.9	12%	0.119	30%	0.298	C	S	.	.	S	Bend	trans	-63.2	-26.9	-170.4	73.8	0	0	0	0	113.8	M239 N311 A321	S235-M239 WeakPolarHBondContact OG-CE 3.32Å; S235-N311 WeakPolarHBondContact CB-OD1 3.45Å; S235-N311 PolarHBondContact OG-OD1 2.84Å; S235-A321 VanDerWaalsContact CB-O 3.29Å; S235-A321 WeakPolarHBondContact CB-O 3.49Å; S235-A321 PolarHBondContact N-O 2.95Å; S235-A321 PolarHBondContact OG-O 2.91Å
236	H	88.3	Confident	88.6	Confident	42 Å²	42	59.5 Å²	59.5	19%	0.194	30%	0.296	C	S	.	.	S	Bend	trans	-126.9	135.9	175.1	-167.7	-82.9	0	0	0	111.8	F234 Q238 M239 L315	F234-H236 PolarHBondContact O-N 2.95Å; F234-H236 VanDerWaalsContact O-N 3.13Å; H236-Q238 PolarHBondContact ND1-N 2.71Å; H236-Q238 PolarHBondContact O-N 3.22Å; H236-Q238 VanDerWaalsContact O-N 3.15Å; H236-M239 HydrophobicContact CB-CE 4Å; H236-M239 HydrophobicContact CB-CG 4.03Å; H236-M239 HydrophobicContact CB-SD 4.1Å; H236-M239 VanDerWaalsContact O-CB 3.28Å; H236-M239 WeakPolarHBondContact O-CB 3.4Å; H236-M239 WeakPolarHBondContact O-CG 3.46Å; H236-M239 PolarHBondContact O-N 2.82Å; H236-L315 VanDerWaalsContact CE1-CD2 3.47Å; H236-L315 WeakPolarHBondContact CE1-CD2 3.36Å; H236-L315 WeakPolarHBondContact ND1-CD2 2.9Å
237	P	85.5	Confident	88.8	Confident	102 Å²	102	58.6 Å²	58.6	66%	0.662	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.2	-172.9	25.6	-36.6	0	0	0	115	M239	P237-M239 VanDerWaalsContact C-N 3.33Å
238	Q	87.3	Confident	89	Confident	149 Å²	149	58.6 Å²	58.6	70%	0.696	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.8	175.5	-64.2	178.7	-14.9	0	0	113.4	H236 L315	H236-Q238 PolarHBondContact ND1-N 2.71Å; H236-Q238 PolarHBondContact O-N 3.22Å; H236-Q238 VanDerWaalsContact O-N 3.15Å; Q238-L315 HydrophobicContact CB-CD1 4.06Å; Q238-L315 HydrophobicContact CB-CD2 4.18Å
239	M	87.4	Confident	89.1	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.034	29%	0.291	C	S	.	.	S	Bend	trans	-64.8	150.4	176	-74.8	176.4	173.3	0	0	111.2	F234 S235 H236 P237 K241 L314 L315 P320 A321	F234-M239 HydrophobicContact CB-CB 4.1Å; F234-M239 HydrophobicContact CB-SD 4.2Å; F234-M239 HydrophobicContact CG-CB 4.41Å; S235-M239 WeakPolarHBondContact OG-CE 3.32Å; H236-M239 HydrophobicContact CB-CE 4Å; H236-M239 HydrophobicContact CB-CG 4.03Å; H236-M239 HydrophobicContact CB-SD 4.1Å; H236-M239 VanDerWaalsContact O-CB 3.28Å; H236-M239 WeakPolarHBondContact O-CB 3.4Å; H236-M239 WeakPolarHBondContact O-CG 3.46Å; H236-M239 PolarHBondContact O-N 2.82Å; P237-M239 VanDerWaalsContact C-N 3.33Å; M239-K241 PolarHBondContact O-N 3.08Å; M239-L314 HydrophobicContact CE-CB 4.22Å; M239-L315 HydrophobicContact CG-CD1 3.85Å; M239-P320 HydrophobicContact SD-CB 4.35Å; M239-A321 HydrophobicContact CE-CB 4.47Å
240	P	86.7	Confident	89.3	Confident	62 Å²	62	58.5 Å²	58.5	40%	0.403	29%	0.291	S	S	.	.			trans	-61.1	127.5	176.3	26	-35.4	0	0	0	110.7	F234 L242 L243 P320	F234-P240 WeakPolarHBondContact CE2-O 3.28Å; P240-L242 VanDerWaalsContact C-N 3.31Å; P240-L242 PolarHBondContact O-N 3.14Å; P240-L243 HydrophobicContact CB-CD2 4.21Å; P240-L243 HydrophobicContact CG-CD2 3.77Å; P240-P320 HydrophobicContact CG-CG 3.74Å
241	K	88.3	Confident	89.4	Confident	105 Å²	105	58.5 Å²	58.5	46%	0.457	29%	0.291	S	S	.	.	S	Bend	trans	-78.9	-14.8	-177.9	-59.6	-173.5	-177.1	-176.9	0	114.1	M239 K360 E361	M239-K241 PolarHBondContact O-N 3.08Å; K241-K360 WeakPolarHBondContact O-CA 3.26Å; K241-E361 HydrophobicContact CB-CB 4.28Å; K241-E361 PolarHBondContact O-N 3.17Å
242	L	90.4	Very high	89.6	Confident	95 Å²	95	57.7 Å²	57.7	50%	0.497	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	123.1	-179.3	-179.1	69.9	0	0	0	108.6	P240 V358 K360	P240-L242 VanDerWaalsContact C-N 3.31Å; P240-L242 PolarHBondContact O-N 3.14Å; L242-V358 HydrophobicContact CD1-CG1 3.78Å; L242-K360 HydrophobicContact CD1-CB 3.59Å
243	L	89.6	Confident	89.4	Confident	25 Å²	25	54.5 Å²	54.5	13%	0.131	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.8	174.4	-60.2	169.5	0	0	0	108.5	F234 P240 T246 L299 P320 V358 V359	F234-L243 HydrophobicContact CE1-CD1 4.24Å; F234-L243 HydrophobicContact CZ-CD1 4.18Å; P240-L243 HydrophobicContact CB-CD2 4.21Å; P240-L243 HydrophobicContact CG-CD2 3.77Å; L243-T246 WeakPolarHBondContact CB-OG1 3.35Å; L243-T246 HydrophobicContact CD1-CG2 4.45Å; L243-L299 HydrophobicContact CD1-CB 4.45Å; L243-L299 HydrophobicContact CD1-CD1 4.16Å; L243-P320 HydrophobicContact CD1-CB 3.99Å; L243-P320 HydrophobicContact CD1-CG 3.86Å; L243-P320 HydrophobicContact CD2-CG 4.08Å; L243-V358 WeakPolarHBondContact O-CA 3.21Å; L243-V359 HydrophobicContact CB-CB 4.28Å; L243-V359 PolarHBondContact N-O 3.26Å; L243-V359 PolarHBondContact O-N 3.49Å
244	K	89.2	Confident	89.3	Confident	160 Å²	160	52.3 Å²	52.3	70%	0.696	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	145.5	176.5	-64.4	-175	179	-175.6	0	109.3	G357	K244-G357 CarbonylContact C-O 3.49Å; K244-G357 WeakPolarHBondContact CA-O 3.45Å
245	D	89	Confident	89	Confident	115 Å²	115	52 Å²	52	62%	0.615	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.2	65.5	-176.1	-168.4	23.5	0	0	0	111.9	N298 G357	D245-N298 PolarHBondContact O-ND2 2.99Å; D245-G357 PolarHBondContact N-O 3.08Å
246	T	87.6	Confident	88.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.6	-169.5	-51.1	0	0	0	0	110.4	L243 N298 L299 A356 V359	L243-T246 WeakPolarHBondContact CB-OG1 3.35Å; L243-T246 HydrophobicContact CD1-CG2 4.45Å; T246-N298 HydrophobicContact CG2-CB 4.2Å; T246-L299 HydrophobicContact CG2-CB 3.56Å; T246-L299 HydrophobicContact CG2-CD2 4.15Å; T246-A356 PolarHBondContact N-O 3.11Å; T246-A356 PolarHBondContact O-N 3.25Å; T246-V359 HydrophobicContact CG2-CG2 4.11Å
247	K	92.4	Very high	88.4	Confident	102 Å²	102	52.6 Å²	52.6	44%	0.443	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.3	161.8	-67.3	179.6	-176.7	175.2	0	109.1	G296 A297 N298 L299 L353 G354	K247-G296 WeakPolarHBondContact CD-O 3.45Å; K247-A297 CarbonylContact O-C 3.59Å; K247-N298 PolarHBondContact O-N 3.24Å; K247-L299 PolarHBondContact O-N 3.38Å; K247-L353 HydrophobicContact CB-CD1 4.28Å; K247-G354 CarbonylContact C-O 3.6Å; K247-G354 VanDerWaalsContact CA-O 3.3Å; K247-G354 WeakPolarHBondContact CA-O 3.38Å
248	M	91.7	Very high	88.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.3	-175	61	-173.6	72.1	0	0	112.6	I250 L299 I301 I333 T337 L353 G354 A356 V359 I374	M248-I250 HydrophobicContact CG-CG1 4.44Å; M248-L299 CarbonylContact C-O 3.35Å; M248-L299 VanDerWaalsContact CA-O 3.27Å; M248-L299 WeakPolarHBondContact CA-O 3.33Å; M248-L299 HydrophobicContact CB-CB 4.09Å; M248-L299 HydrophobicContact CB-CD2 4.26Å; M248-L299 HydrophobicContact CB-CG 4.4Å; M248-L299 HydrophobicContact CE-CD2 4.38Å; M248-I301 HydrophobicContact CB-CD1 4.34Å; M248-I301 HydrophobicContact CG-CD1 4.46Å; M248-I301 HydrophobicContact SD-CD1 3.68Å; M248-I333 HydrophobicContact SD-CG2 3.8Å; M248-T337 HydrophobicContact CE-CG2 3.81Å; M248-T337 HydrophobicContact CG-CG2 4.44Å; M248-T337 HydrophobicContact SD-CG2 3.47Å; M248-T337 WeakPolarHBondContact SD-CG2 3.43Å; M248-L353 WeakPolarHBondContact O-CA 3.43Å; M248-G354 PolarHBondContact N-O 2.74Å; M248-G354 PolarHBondContact O-N 3.31Å; M248-A356 HydrophobicContact CE-CB 3.5Å; M248-A356 VanDerWaalsContact CE-CB 3.5Å; M248-V359 HydrophobicContact CE-CG2 3.99Å; M248-I374 HydrophobicContact CE-CD1 4.41Å; M248-I374 HydrophobicContact CE-CG2 3.92Å; M248-I374 HydrophobicContact SD-CD1 4.4Å
249	A	93.8	Very high	87.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.3	171	0	0	0	0	0	108.8	L251 I292 A297 L299 I301 L348 L353	A249-L251 HydrophobicContact CB-CD1 4.49Å; A249-L251 HydrophobicContact CB-CD2 4.27Å; A249-L251 HydrophobicContact CB-CG 4.23Å; A249-I292 HydrophobicContact CB-CG2 4.27Å; A249-A297 HydrophobicContact CB-CB 4.09Å; A249-L299 PolarHBondContact N-O 3.25Å; A249-I301 PolarHBondContact O-N 3.38Å; A249-L348 HydrophobicContact CB-CD1 4.22Å; A249-L353 HydrophobicContact CB-CD2 3.92Å
250	I	94.2	Very high	87.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107.9	178.3	-55.7	175.4	0	0	0	107.7	M248 I330 I333 A334 I341 V342	M248-I250 HydrophobicContact CG-CG1 4.44Å; I250-I330 HydrophobicContact CG2-CG2 3.57Å; I250-I333 HydrophobicContact CD1-CG2 3.91Å; I250-I333 HydrophobicContact CG1-CG2 4.31Å; I250-A334 VanDerWaalsContact CD1-CA 3.49Å; I250-A334 HydrophobicContact CD1-CB 3.86Å; I250-I341 HydrophobicContact CG2-CG1 4.18Å; I250-V342 PolarHBondContact O-N 3.27Å
251	L	92.7	Very high	87.5	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.9	-167.5	-56.7	174.5	0	0	0	111	A249 I292 I301 C302 Q303 V342 F345 L348	A249-L251 HydrophobicContact CB-CD1 4.49Å; A249-L251 HydrophobicContact CB-CD2 4.27Å; A249-L251 HydrophobicContact CB-CG 4.23Å; L251-I292 HydrophobicContact CD1-CD1 4.06Å; L251-I301 WeakPolarHBondContact CB-O 3.36Å; L251-I301 PolarHBondContact N-O 2.87Å; L251-C302 WeakPolarHBondContact O-CA 3.36Å; L251-Q303 PolarHBondContact O-N 2.92Å; L251-V342 HydrophobicContact CD2-CB 4.12Å; L251-V342 HydrophobicContact CD2-CG1 4.45Å; L251-F345 HydrophobicContact CD1-CE1 3.78Å; L251-F345 HydrophobicContact CD1-CZ 4.37Å; L251-F345 HydrophobicContact CD2-CE1 4.48Å; L251-L348 HydrophobicContact CD2-CD1 4.3Å
252	T	92.2	Very high	87.6	Confident	36 Å²	36	60.9 Å²	60.9	22%	0.221	31%	0.313	C	S	.	.			trans	-103.5	-6.6	168.7	50	0	0	0	0	112.9	Q303 W304 I330 I341 V342 P343	T252-Q303 HydrophobicContact CG2-CB 4.41Å; T252-W304 VanDerWaalsContact O-CD1 3.25Å; T252-W304 PolarHBondContact O-NE1 3.37Å; T252-I330 HydrophobicContact CG2-CD1 4.49Å; T252-I330 HydrophobicContact CG2-CG2 4.46Å; T252-I341 HydrophobicContact CG2-CG2 3.28Å; T252-V342 PolarHBondContact N-O 3.44Å; T252-V342 VanDerWaalsContact N-O 3.09Å; T252-V342 PolarHBondContact OG1-O 2.93Å; T252-P343 WeakPolarHBondContact OG1-CA 3.5Å
253	C	86.4	Confident	87.1	Confident	10 Å²	10	67.1 Å²	67.1	7%	0.068	34%	0.336	C	S	.	.	S	Bend	trans	-72.3	142.9	170.3	42	0	0	0	0	111.1	P343 F345	C253-P343 VanDerWaalsContact CB-O 3.32Å; C253-P343 WeakPolarHBondContact CB-O 3.41Å; C253-F345 HydrophobicContact CB-CD2 4.33Å; C253-F345 HydrophobicContact CB-CE2 3.96Å; C253-F345 HydrophobicContact CB-CZ 4.5Å; C253-F345 WeakPolarHBondContact SG-CE2 3.46Å; C253-F345 VanDerWaalsContact SG-CZ 3.54Å
254	P	84.7	Confident	86.8	Confident	65 Å²	65	70 Å²	70	42%	0.422	35%	0.348	S	S	.	.			trans	-66.7	135.6	169.4	28.9	-33.1	0	0	0	109.4	E256 W304	P254-E256 PolarHBondContact O-N 2.94Å; P254-E256 VanDerWaalsContact O-N 3.07Å; P254-W304 HydrophobicContact CB-CB 4.33Å
255	F	83.9	Confident	86.5	Confident	1 Å²	1	71.4 Å²	71.4	0%	0.004	35%	0.354	C	S	.	.	S	Bend	trans	-86.1	69.6	174.3	-163.4	-85.4	0	0	0	108.3	F285 M288 I289 I292 F306 A310 L314 F345	F255-F285 HydrophobicContact CD1-CD1 4.01Å; F255-F285 HydrophobicContact CD1-CE1 4.01Å; F255-F285 AromaticContact CE1-CD1 3.68Å; F255-F285 HydrophobicContact CE1-CD1 3.68Å; F255-F285 HydrophobicContact CE1-CE1 4.15Å; F255-F285 WeakPolarHBondContact O-CE1 3.24Å; F255-M288 HydrophobicContact CE2-CB 3.88Å; F255-M288 HydrophobicContact CZ-CB 4.04Å; F255-I289 HydrophobicContact CE1-CG1 4.42Å; F255-I289 HydrophobicContact CZ-CD1 4.47Å; F255-I289 HydrophobicContact CZ-CG1 3.64Å; F255-I292 HydrophobicContact CD2-CD1 4.49Å; F255-I292 HydrophobicContact CE2-CD1 3.86Å; F255-F306 HydrophobicContact CB-CB 3.78Å; F255-F306 HydrophobicContact CB-CD1 4.03Å; F255-F306 HydrophobicContact CB-CG 4.05Å; F255-F306 HydrophobicContact CD1-CB 4.21Å; F255-F306 HydrophobicContact CD1-CD2 4.42Å; F255-F306 HydrophobicContact CD1-CG 4.28Å; F255-F306 HydrophobicContact CG-CB 4.46Å; F255-F306 HydrophobicContact CG-CG 4.49Å; F255-F306 WeakPolarHBondContact O-CB 3.49Å; F255-A310 HydrophobicContact CD1-CB 3.86Å; F255-A310 HydrophobicContact CE1-CB 3.89Å; F255-L314 HydrophobicContact CD1-CD1 4.46Å; F255-L314 HydrophobicContact CE1-CD1 4.12Å; F255-L314 HydrophobicContact CE1-CG 4.34Å; F255-L314 HydrophobicContact CZ-CD1 4.46Å; F255-L314 HydrophobicContact CZ-CD2 4.13Å; F255-L314 HydrophobicContact CZ-CG 4.4Å; F255-F345 HydrophobicContact CB-CZ 4.42Å; F255-F345 AromaticContact CD2-CE1 3.83Å; F255-F345 HydrophobicContact CD2-CE1 3.83Å; F255-F345 AromaticContact CD2-CZ 3.5Å; F255-F345 HydrophobicContact CD2-CZ 3.5Å; F255-F345 VanDerWaalsContact CD2-CZ 3.5Å; F255-F345 HydrophobicContact CE2-CE1 4.09Å; F255-F345 HydrophobicContact CE2-CZ 4.12Å; F255-F345 HydrophobicContact CG-CZ 4.34Å
256	E	82.5	Confident	86.2	Confident	55 Å²	55	71 Å²	71	26%	0.257	35%	0.352	S	S	.	.	S	Bend	trans	-139.6	157.8	-176.8	-72.9	-173.4	-157.3	0	0	110.6	P254 K259 M288	P254-E256 PolarHBondContact O-N 2.94Å; P254-E256 VanDerWaalsContact O-N 3.07Å; E256-K259 IonicContact OE2-NZ 2.61Å; E256-K259 PolarHBondContact OE2-NZ 3.45Å; E256-M288 WeakPolarHBondContact O-CE 3.38Å
257	P	82	Confident	86.1	Confident	16 Å²	16	77.5 Å²	77.5	10%	0.104	39%	0.386	C	S	.	.	S	Bend	trans	-56.1	142.9	171.3	-20.8	34.7	0	0	0	109.6	K259 E281 F285	P257-K259 PolarHBondContact O-N 2.85Å; P257-E281 HydrophobicContact CB-CG 4.38Å; P257-E281 HydrophobicContact CG-CB 4.32Å; P257-E281 HydrophobicContact CG-CG 4.04Å; P257-F285 VanDerWaalsContact CD-CZ 3.45Å; P257-F285 HydrophobicContact CG-CE2 3.81Å; P257-F285 HydrophobicContact CG-CZ 3.82Å
258	P	79.5	Confident	86	Confident	84 Å²	84	75.6 Å²	75.6	55%	0.545	38%	0.383	S	S	.	.			trans	-63.1	104.2	-171.6	24.7	-33.9	0	0	0	111
259	K	81.8	Confident	85.9	Confident	121 Å²	121	80.9 Å²	80.9	53%	0.526	42%	0.416	S	S	.	.			trans	-93.9	129	173.4	-71.4	167.3	-171	162.6	0	109.1	E256 P257	E256-K259 IonicContact OE2-NZ 2.61Å; E256-K259 PolarHBondContact OE2-NZ 3.45Å; P257-K259 PolarHBondContact O-N 2.85Å
260	P	83.2	Confident	85.8	Confident	65 Å²	65	84.2 Å²	84.2	42%	0.422	44%	0.438	S	S	.	.			trans	-63.2	141.4	171.5	27	-33.1	0	0	0	109.4	T262 H264	P260-T262 PolarHBondContact O-N 3.38Å; P260-T262 VanDerWaalsContact O-O 3.1Å; P260-H264 HydrophobicContact CG-CB 3.69Å; P260-H264 VanDerWaalsContact CG-CG 3.45Å; P260-H264 WeakPolarHBondContact CG-ND1 3.15Å
261	K	83.6	Confident	85.7	Confident	225 Å²	225	89.5 Å²	89.5	98%	0.978	47%	0.47	S	S	*	.	S	Bend	trans	-65.3	-18.5	179.5	-66.3	-173.7	177.4	-175.4	0	113
262	T	88.5	Confident	85.6	Confident	104 Å²	104	97.2 Å²	97.2	64%	0.638	51%	0.506	S	S	*	.	S	Bend	trans	-80.1	150.7	173.5	51	0	0	0	0	110.9	P260 H264	P260-T262 PolarHBondContact O-N 3.38Å; P260-T262 VanDerWaalsContact O-O 3.1Å; T262-H264 PolarHBondContact O-N 3.26Å; T262-H264 PolarHBondContact O-ND1 2.84Å
263	K	81.7	Confident	85.5	Confident	225 Å²	225	99.9 Å²	99.9	98%	0.978	52%	0.516	S	S	*	.			trans	-54.5	111.5	170.4	-72.6	-174.5	179.4	-179.8	0	108.8
264	H	81.4	Confident	85.6	Confident	86 Å²	86	106.1 Å²	106.1	40%	0.398	54%	0.539	S	S	.	.			trans	-116.5	140.8	174.7	66.1	-73.2	0	0	0	108.2	P260 T262	P260-H264 HydrophobicContact CG-CB 3.69Å; P260-H264 VanDerWaalsContact CG-CG 3.45Å; P260-H264 WeakPolarHBondContact CG-ND1 3.15Å; T262-H264 PolarHBondContact O-N 3.26Å; T262-H264 PolarHBondContact O-ND1 2.84Å
265	K	83.3	Confident	85.9	Confident	189 Å²	189	109.4 Å²	109.4	82%	0.822	55%	0.547	S	S	*	.			trans	-112.6	128.7	168.3	-66.7	-176.3	178.9	-176.8	0	106.1
266	L	83	Confident	86.2	Confident	108 Å²	108	112.1 Å²	112.1	57%	0.565	57%	0.57	S	S	*	*			trans	-103.5	99.2	178.9	-147.3	156.5	0	0	0	106.3	V268 L277	L266-V268 HydrophobicContact CD2-CG2 3.87Å; L266-V268 PolarHBondContact O-N 2.97Å; L266-L277 HydrophobicContact CD1-CD1 3.86Å; L266-L277 HydrophobicContact CD2-CD1 3.66Å; L266-L277 HydrophobicContact CG-CD1 4.43Å
267	D	86.2	Confident	86.4	Confident	135 Å²	135	111.7 Å²	111.7	72%	0.722	57%	0.569	S	S	*	*			trans	-86.5	109.9	-178.7	-64.5	-31.2	0	0	0	108.4
268	V	89.3	Confident	86.7	Confident	62 Å²	62	115.1 Å²	115.1	38%	0.376	58%	0.584	S	S	.	*			trans	-95.6	114.4	179.2	-173.4	0	0	0	0	108.1	L266 E273 Y274	L266-V268 HydrophobicContact CD2-CG2 3.87Å; L266-V268 PolarHBondContact O-N 2.97Å; V268-E273 HydrophobicContact CG1-CB 3.98Å; V268-Y274 HydrophobicContact CG1-CD2 4.38Å
269	T	89.6	Confident	87.1	Confident	111 Å²	111	118 Å²	118	68%	0.681	59%	0.588	S	S	*	*			trans	-91.2	-29.4	-172.9	64.6	0	0	0	0	112.7	E273	T269-E273 PolarHBondContact N-OE2 3.46Å; T269-E273 PolarHBondContact OG1-OE1 3.26Å; T269-E273 PolarHBondContact OG1-OE2 2.94Å
270	C	91.9	Very high	87.5	Confident	71 Å²	71	117.6 Å²	117.6	48%	0.48	58%	0.583	S	S	.	*	S	Bend	trans	-129.4	151.5	-173.8	-72	0	0	0	0	112.6	E272 E273 Y274	C270-E272 PolarHBondContact O-N 2.81Å; C270-E273 HydrophobicContact CB-CG 4.1Å; C270-E273 PolarHBondContact N-OE2 3.35Å; C270-E273 WeakPolarHBondContact O-CB 3.37Å; C270-E273 PolarHBondContact O-N 3.49Å; C270-Y274 PolarHBondContact O-N 3.4Å
271	V	91.8	Very high	87.6	Confident	110 Å²	110	117.5 Å²	117.5	67%	0.667	58%	0.577	S	S	*	*	H	α-helix	trans	-63.7	-30.6	177.9	-178.8	0	0	0	0	112	Y274 K275	V271-Y274 PolarHBondContact O-N 3.04Å; V271-K275 PolarHBondContact O-N 3.03Å; V271-K275 VanDerWaalsContact O-N 3.16Å
272	E	91.5	Very high	87.8	Confident	162 Å²	162	110.9 Å²	110.9	76%	0.757	55%	0.549	S	S	*	.	H	α-helix	trans	-68	-40.3	176.6	-64	-177.1	173.3	0	0	112	C270 Y274 K275 A276	C270-E272 PolarHBondContact O-N 2.81Å; E272-Y274 VanDerWaalsContact C-N 3.31Å; E272-Y274 PolarHBondContact O-N 2.94Å; E272-K275 PolarHBondContact O-N 3.42Å; E272-A276 PolarHBondContact O-N 3.3Å
273	E	89.6	Confident	87.8	Confident	93 Å²	93	110.3 Å²	110.3	44%	0.435	54%	0.542	S	S	.	.	H	α-helix	trans	-63	-39.4	174.9	-64.1	178.2	158.2	0	0	111	V268 T269 C270 K275 A276 L277	V268-E273 HydrophobicContact CG1-CB 3.98Å; T269-E273 PolarHBondContact N-OE2 3.46Å; T269-E273 PolarHBondContact OG1-OE1 3.26Å; T269-E273 PolarHBondContact OG1-OE2 2.94Å; C270-E273 HydrophobicContact CB-CG 4.1Å; C270-E273 PolarHBondContact N-OE2 3.35Å; C270-E273 WeakPolarHBondContact O-CB 3.37Å; C270-E273 PolarHBondContact O-N 3.49Å; E273-K275 PolarHBondContact O-N 3.45Å; E273-A276 PolarHBondContact O-N 3.49Å; E273-L277 WeakPolarHBondContact O-CB 3.3Å; E273-L277 PolarHBondContact O-N 3.39Å
274	Y	88.5	Confident	88.2	Confident	140 Å²	140	102 Å²	102	55%	0.549	51%	0.505	S	S	.	.	H	α-helix	trans	-61	-44.2	174.7	-169.8	-101	0	0	0	112.1	V268 C270 V271 E272 A276 L277 Q278	V268-Y274 HydrophobicContact CG1-CD2 4.38Å; C270-Y274 PolarHBondContact O-N 3.4Å; V271-Y274 PolarHBondContact O-N 3.04Å; E272-Y274 VanDerWaalsContact C-N 3.31Å; E272-Y274 PolarHBondContact O-N 2.94Å; Y274-A276 VanDerWaalsContact C-N 3.34Å; Y274-A276 PolarHBondContact O-N 3.01Å; Y274-L277 PolarHBondContact O-N 3.48Å; Y274-Q278 PolarHBondContact O-N 2.97Å
275	K	91.1	Very high	88.5	Confident	135 Å²	135	98 Å²	98	59%	0.587	49%	0.487	S	S	*	.	H	α-helix	trans	-66	-36	175.4	-73.7	-177	178.8	177.2	0	112.3	V271 E272 E273 K279	V271-K275 PolarHBondContact O-N 3.03Å; V271-K275 VanDerWaalsContact O-N 3.16Å; E272-K275 PolarHBondContact O-N 3.42Å; E273-K275 PolarHBondContact O-N 3.45Å; K275-K279 WeakPolarHBondContact O-CG 3.48Å; K275-K279 PolarHBondContact O-N 3.46Å; K275-K279 VanDerWaalsContact O-N 3.15Å
276	A	89.4	Confident	88.8	Confident	58 Å²	58	92.4 Å²	92.4	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-67.3	-40.6	175.6	0	0	0	0	0	111.4	E272 E273 Y274 K279 Y280	E272-A276 PolarHBondContact O-N 3.3Å; E273-A276 PolarHBondContact O-N 3.49Å; Y274-A276 VanDerWaalsContact C-N 3.34Å; Y274-A276 PolarHBondContact O-N 3.01Å; A276-K279 PolarHBondContact O-N 3.27Å; A276-Y280 WeakPolarHBondContact O-CB 3.48Å; A276-Y280 PolarHBondContact O-N 3.1Å
277	L	88.3	Confident	89.1	Confident	46 Å²	46	91.7 Å²	91.7	24%	0.241	46%	0.459	C	S	.	.	H	α-helix	trans	-60.4	-46.8	174.9	-170.1	110.4	0	0	0	111.4	L266 E273 Y274 K279 Y280 E281	L266-L277 HydrophobicContact CD1-CD1 3.86Å; L266-L277 HydrophobicContact CD2-CD1 3.66Å; L266-L277 HydrophobicContact CG-CD1 4.43Å; E273-L277 WeakPolarHBondContact O-CB 3.3Å; E273-L277 PolarHBondContact O-N 3.39Å; Y274-L277 PolarHBondContact O-N 3.48Å; L277-K279 VanDerWaalsContact C-N 3.31Å; L277-K279 PolarHBondContact O-N 3.27Å; L277-Y280 WeakPolarHBondContact O-CB 3.4Å; L277-Y280 PolarHBondContact O-N 2.84Å; L277-Y280 VanDerWaalsContact O-N 3.12Å; L277-E281 WeakPolarHBondContact O-CG 3.25Å; L277-E281 PolarHBondContact O-N 2.63Å
278	Q	86.9	Confident	89.2	Confident	88 Å²	88	86.5 Å²	86.5	41%	0.411	43%	0.431	S	S	.	.	H	α-helix	trans	-61.9	-38.4	177.6	-169	179.3	22	0	0	112.5	Y274 K282	Y274-Q278 PolarHBondContact O-N 2.97Å; Q278-K282 PolarHBondContact O-N 3.37Å
279	K	89.4	Confident	89.2	Confident	144 Å²	144	83.6 Å²	83.6	63%	0.626	41%	0.413	S	S	*	.	H	α-helix	trans	-65.6	-44.5	172.9	-75.6	-178.5	179.4	-178.8	0	111.4	K275 A276 L277 E281 K282 D283	K275-K279 WeakPolarHBondContact O-CG 3.48Å; K275-K279 PolarHBondContact O-N 3.46Å; K275-K279 VanDerWaalsContact O-N 3.15Å; A276-K279 PolarHBondContact O-N 3.27Å; L277-K279 VanDerWaalsContact C-N 3.31Å; L277-K279 PolarHBondContact O-N 3.27Å; K279-E281 VanDerWaalsContact C-N 3.33Å; K279-E281 PolarHBondContact O-N 3.08Å; K279-K282 PolarHBondContact O-N 3.28Å; K279-D283 WeakPolarHBondContact O-CB 3.39Å; K279-D283 VanDerWaalsContact O-CG 3.23Å; K279-D283 PolarHBondContact O-N 3.5Å
280	Y	89.4	Confident	89.3	Confident	112 Å²	112	84.4 Å²	84.4	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-58.8	-43	177.9	172.3	-96.8	0	0	0	112.3	A276 L277 D283 K284	A276-Y280 WeakPolarHBondContact O-CB 3.48Å; A276-Y280 PolarHBondContact O-N 3.1Å; L277-Y280 WeakPolarHBondContact O-CB 3.4Å; L277-Y280 PolarHBondContact O-N 2.84Å; L277-Y280 VanDerWaalsContact O-N 3.12Å; Y280-D283 PolarHBondContact O-N 2.96Å; Y280-K284 HydrophobicContact CD1-CG 4.28Å; Y280-K284 HydrophobicContact CD2-CG 4.21Å; Y280-K284 HydrophobicContact CE1-CG 3.85Å; Y280-K284 HydrophobicContact CE2-CD 4.11Å; Y280-K284 HydrophobicContact CE2-CG 3.78Å; Y280-K284 HydrophobicContact CG-CG 4.44Å; Y280-K284 WeakPolarHBondContact O-CB 3.15Å; Y280-K284 VanDerWaalsContact O-CG 3.26Å; Y280-K284 WeakPolarHBondContact O-CG 3.44Å; Y280-K284 PolarHBondContact O-N 2.96Å; Y280-K284 WeakPolarHBondContact OH-CE 3.36Å
281	E	86.1	Confident	89.2	Confident	63 Å²	63	84.7 Å²	84.7	29%	0.294	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-48.6	175.8	-72.8	176.3	160.1	0	0	111.4	P257 L277 K279 D283 K284 F285	P257-E281 HydrophobicContact CB-CG 4.38Å; P257-E281 HydrophobicContact CG-CB 4.32Å; P257-E281 HydrophobicContact CG-CG 4.04Å; L277-E281 WeakPolarHBondContact O-CG 3.25Å; L277-E281 PolarHBondContact O-N 2.63Å; K279-E281 VanDerWaalsContact C-N 3.33Å; K279-E281 PolarHBondContact O-N 3.08Å; E281-D283 PolarHBondContact O-N 3.23Å; E281-K284 PolarHBondContact O-N 2.91Å; E281-F285 WeakPolarHBondContact O-CD2 3.39Å; E281-F285 PolarHBondContact O-N 3.34Å
282	K	86.3	Confident	89.1	Confident	87 Å²	87	79.5 Å²	79.5	38%	0.378	37%	0.37	S	S	.	.	H	α-helix	trans	-59.2	-46.7	175.6	-75.3	-179	174.6	-179.6	0	112.6	Q278 K279 K284 F285 L286 E309	Q278-K282 PolarHBondContact O-N 3.37Å; K279-K282 PolarHBondContact O-N 3.28Å; K282-K284 VanDerWaalsContact C-N 3.32Å; K282-K284 PolarHBondContact O-N 3.48Å; K282-F285 PolarHBondContact O-N 2.9Å; K282-L286 WeakPolarHBondContact O-CG 3.34Å; K282-L286 PolarHBondContact O-N 3.24Å; K282-E309 WeakPolarHBondContact CE-OE1 3.42Å; K282-E309 IonicContact NZ-OE1 2.76Å
283	D	89.8	Confident	89	Confident	92 Å²	92	75.6 Å²	75.6	49%	0.492	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-40.7	-179.6	-69.3	-21.5	0	0	0	110.8	K279 Y280 E281 L286 E287	K279-D283 WeakPolarHBondContact O-CB 3.39Å; K279-D283 VanDerWaalsContact O-CG 3.23Å; K279-D283 PolarHBondContact O-N 3.5Å; Y280-D283 PolarHBondContact O-N 2.96Å; E281-D283 PolarHBondContact O-N 3.23Å; D283-L286 PolarHBondContact O-N 3.28Å; D283-E287 WeakPolarHBondContact O-CG 3.26Å; D283-E287 PolarHBondContact O-N 2.91Å
284	K	88.7	Confident	89.1	Confident	49 Å²	49	76.9 Å²	76.9	21%	0.213	36%	0.361	C	S	.	.	H	α-helix	trans	-64.1	-40.8	175.6	-75	-71.8	158.3	-150.8	0	112.7	Y280 E281 K282 E287 M288	Y280-K284 HydrophobicContact CD1-CG 4.28Å; Y280-K284 HydrophobicContact CD2-CG 4.21Å; Y280-K284 HydrophobicContact CE1-CG 3.85Å; Y280-K284 HydrophobicContact CE2-CD 4.11Å; Y280-K284 HydrophobicContact CE2-CG 3.78Å; Y280-K284 HydrophobicContact CG-CG 4.44Å; Y280-K284 WeakPolarHBondContact O-CB 3.15Å; Y280-K284 VanDerWaalsContact O-CG 3.26Å; Y280-K284 WeakPolarHBondContact O-CG 3.44Å; Y280-K284 PolarHBondContact O-N 2.96Å; Y280-K284 WeakPolarHBondContact OH-CE 3.36Å; E281-K284 PolarHBondContact O-N 2.91Å; K282-K284 VanDerWaalsContact C-N 3.32Å; K282-K284 PolarHBondContact O-N 3.48Å; K284-E287 IonicContact NZ-OE1 3.23Å; K284-E287 PolarHBondContact NZ-OE1 3.14Å; K284-E287 IonicContact NZ-OE2 2.67Å; K284-E287 PolarHBondContact NZ-OE2 3.5Å; K284-E287 PolarHBondContact O-N 3.39Å; K284-M288 WeakPolarHBondContact O-CG 3.4Å; K284-M288 PolarHBondContact O-N 2.93Å; K284-M288 VanDerWaalsContact O-N 3.09Å
285	F	88.1	Confident	89.1	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-45.3	173.2	-77.9	-59.1	0	0	0	111.7	F255 P257 E281 K282 E287 M288 I289 A310 L313	F255-F285 HydrophobicContact CD1-CD1 4.01Å; F255-F285 HydrophobicContact CD1-CE1 4.01Å; F255-F285 AromaticContact CE1-CD1 3.68Å; F255-F285 HydrophobicContact CE1-CD1 3.68Å; F255-F285 HydrophobicContact CE1-CE1 4.15Å; F255-F285 WeakPolarHBondContact O-CE1 3.24Å; P257-F285 VanDerWaalsContact CD-CZ 3.45Å; P257-F285 HydrophobicContact CG-CE2 3.81Å; P257-F285 HydrophobicContact CG-CZ 3.82Å; E281-F285 WeakPolarHBondContact O-CD2 3.39Å; E281-F285 PolarHBondContact O-N 3.34Å; K282-F285 PolarHBondContact O-N 2.9Å; F285-E287 VanDerWaalsContact C-N 3.31Å; F285-E287 PolarHBondContact O-N 3.03Å; F285-M288 PolarHBondContact O-N 3.43Å; F285-M288 VanDerWaalsContact O-N 3.14Å; F285-I289 WeakPolarHBondContact O-CG1 3.48Å; F285-I289 PolarHBondContact O-N 3.41Å; F285-A310 HydrophobicContact CD1-CB 3.95Å; F285-A310 HydrophobicContact CE1-CB 3.65Å; F285-A310 HydrophobicContact CZ-CB 3.96Å; F285-L313 HydrophobicContact CB-CD1 3.76Å; F285-L313 HydrophobicContact CD2-CD1 4.43Å; F285-L313 HydrophobicContact CG-CD1 4.37Å
286	L	88.8	Confident	89	Confident	71 Å²	71	66.5 Å²	66.5	37%	0.372	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-39	177.3	-71.6	171.7	0	0	0	112.1	K282 D283 I289 K290 L313	K282-L286 WeakPolarHBondContact O-CG 3.34Å; K282-L286 PolarHBondContact O-N 3.24Å; D283-L286 PolarHBondContact O-N 3.28Å; L286-I289 PolarHBondContact O-N 3Å; L286-K290 VanDerWaalsContact O-CB 3.23Å; L286-K290 WeakPolarHBondContact O-CB 3.47Å; L286-K290 PolarHBondContact O-N 2.98Å; L286-L313 HydrophobicContact CD2-CD2 4.32Å
287	E	89.8	Confident	89	Confident	92 Å²	92	64 Å²	64	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-58.8	-46.2	172.2	-75.9	176	-173.9	0	0	111.8	D283 K284 F285 K290 Q291	D283-E287 WeakPolarHBondContact O-CG 3.26Å; D283-E287 PolarHBondContact O-N 2.91Å; K284-E287 IonicContact NZ-OE1 3.23Å; K284-E287 PolarHBondContact NZ-OE1 3.14Å; K284-E287 IonicContact NZ-OE2 2.67Å; K284-E287 PolarHBondContact NZ-OE2 3.5Å; K284-E287 PolarHBondContact O-N 3.39Å; F285-E287 VanDerWaalsContact C-N 3.31Å; F285-E287 PolarHBondContact O-N 3.03Å; E287-K290 PolarHBondContact O-N 3.42Å; E287-Q291 WeakPolarHBondContact O-CG 3.29Å; E287-Q291 PolarHBondContact O-N 2.74Å
288	M	89.1	Confident	89.1	Confident	26 Å²	26	65.5 Å²	65.5	13%	0.128	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-44.8	178.5	-68	179.3	-173.5	0	0	112.2	F255 E256 K284 F285 K290 Q291 I292 F345	F255-M288 HydrophobicContact CE2-CB 3.88Å; F255-M288 HydrophobicContact CZ-CB 4.04Å; E256-M288 WeakPolarHBondContact O-CE 3.38Å; K284-M288 WeakPolarHBondContact O-CG 3.4Å; K284-M288 PolarHBondContact O-N 2.93Å; K284-M288 VanDerWaalsContact O-N 3.09Å; F285-M288 PolarHBondContact O-N 3.43Å; F285-M288 VanDerWaalsContact O-N 3.14Å; M288-K290 VanDerWaalsContact C-N 3.3Å; M288-K290 PolarHBondContact O-N 3.01Å; M288-Q291 PolarHBondContact O-N 3.47Å; M288-I292 WeakPolarHBondContact O-CG1 3.26Å; M288-I292 PolarHBondContact O-N 3.1Å; M288-I292 VanDerWaalsContact O-N 3.16Å; M288-F345 HydrophobicContact CE-CD2 4.5Å; M288-F345 HydrophobicContact CE-CE2 4.5Å; M288-F345 HydrophobicContact CG-CD2 4.29Å; M288-F345 HydrophobicContact CG-CE2 4.43Å; M288-F345 HydrophobicContact CG-CG 4.47Å; M288-F345 HydrophobicContact SD-CD2 4.15Å; M288-F345 HydrophobicContact SD-CE2 3.83Å; M288-F345 HydrophobicContact SD-CZ 4.29Å
289	I	89.9	Confident	89.4	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-44.2	176.4	-63.1	174.6	0	0	0	110.2	F255 F285 L286 Q291 I292 K293 L313 L314 N317 L319	F255-I289 HydrophobicContact CE1-CG1 4.42Å; F255-I289 HydrophobicContact CZ-CD1 4.47Å; F255-I289 HydrophobicContact CZ-CG1 3.64Å; F285-I289 WeakPolarHBondContact O-CG1 3.48Å; F285-I289 PolarHBondContact O-N 3.41Å; L286-I289 PolarHBondContact O-N 3Å; I289-Q291 PolarHBondContact O-N 3.32Å; I289-I292 PolarHBondContact O-N 3.19Å; I289-K293 HydrophobicContact CG2-CD 4.39Å; I289-K293 PolarHBondContact O-N 3.14Å; I289-L313 HydrophobicContact CD1-CB 3.7Å; I289-L314 HydrophobicContact CD1-CD2 4.14Å; I289-L314 HydrophobicContact CD1-CG 4.15Å; I289-L314 HydrophobicContact CG1-CD2 3.88Å; I289-L314 HydrophobicContact CG1-CG 4.37Å; I289-N317 HydrophobicContact CG2-CB 3.68Å; I289-L319 HydrophobicContact CG2-CD2 4.32Å
290	K	90.1	Very high	89.5	Confident	129 Å²	129	54.5 Å²	54.5	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-62.3	-43.1	179.7	-169.8	179.2	178	-177.2	0	111.3	L286 E287 M288 I292 K293 D294	L286-K290 VanDerWaalsContact O-CB 3.23Å; L286-K290 WeakPolarHBondContact O-CB 3.47Å; L286-K290 PolarHBondContact O-N 2.98Å; E287-K290 PolarHBondContact O-N 3.42Å; M288-K290 VanDerWaalsContact C-N 3.3Å; M288-K290 PolarHBondContact O-N 3.01Å; K290-I292 VanDerWaalsContact C-N 3.31Å; K290-I292 PolarHBondContact O-N 3.44Å; K290-K293 PolarHBondContact O-N 3.05Å; K290-D294 WeakPolarHBondContact O-CB 3.48Å; K290-D294 PolarHBondContact O-N 2.93Å
291	Q	89.6	Confident	89.7	Confident	77 Å²	77	49.1 Å²	49.1	36%	0.36	25%	0.247	S	C	.	.	H	α-helix	trans	-58.1	-41.8	174.9	-74.7	176.4	4.5	0	0	112.4	E287 M288 I289 T295	E287-Q291 WeakPolarHBondContact O-CG 3.29Å; E287-Q291 PolarHBondContact O-N 2.74Å; M288-Q291 PolarHBondContact O-N 3.47Å; I289-Q291 PolarHBondContact O-N 3.32Å; Q291-T295 WeakPolarHBondContact O-CG2 3.34Å; Q291-T295 PolarHBondContact O-N 3.22Å
292	I	90.4	Very high	90.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-47	176.6	-61.3	167.8	0	0	0	110.8	A249 L251 F255 M288 I289 K290 D294 T295 A297 A300 L319 F345 L348	A249-I292 HydrophobicContact CB-CG2 4.27Å; L251-I292 HydrophobicContact CD1-CD1 4.06Å; F255-I292 HydrophobicContact CD2-CD1 4.49Å; F255-I292 HydrophobicContact CE2-CD1 3.86Å; M288-I292 WeakPolarHBondContact O-CG1 3.26Å; M288-I292 PolarHBondContact O-N 3.1Å; M288-I292 VanDerWaalsContact O-N 3.16Å; I289-I292 PolarHBondContact O-N 3.19Å; K290-I292 VanDerWaalsContact C-N 3.31Å; K290-I292 PolarHBondContact O-N 3.44Å; I292-D294 PolarHBondContact O-N 3.05Å; I292-T295 PolarHBondContact O-N 3.23Å; I292-T295 PolarHBondContact O-OG1 3.06Å; I292-A297 HydrophobicContact CG2-CB 3.78Å; I292-A300 HydrophobicContact CD1-CB 4.44Å; I292-L319 HydrophobicContact CB-CD2 4Å; I292-L319 HydrophobicContact CD1-CD2 4.11Å; I292-L319 HydrophobicContact CG2-CD1 4.25Å; I292-L319 HydrophobicContact CG2-CD2 3.69Å; I292-F345 HydrophobicContact CD1-CE1 4.07Å; I292-F345 HydrophobicContact CG1-CD1 4.44Å; I292-F345 HydrophobicContact CG1-CE1 4.41Å; I292-L348 HydrophobicContact CB-CD2 4.2Å; I292-L348 HydrophobicContact CG1-CD2 3.82Å
293	K	89.9	Confident	90.4	Very high	81 Å²	81	44.6 Å²	44.6	35%	0.352	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-40.4	178.6	-78.5	-175	163.9	-172	0	113.6	I289 K290 T295 G296 N317	I289-K293 HydrophobicContact CG2-CD 4.39Å; I289-K293 PolarHBondContact O-N 3.14Å; K290-K293 PolarHBondContact O-N 3.05Å; K293-T295 PolarHBondContact O-N 3.47Å; K293-G296 WeakPolarHBondContact O-CA 3.49Å; K293-G296 PolarHBondContact O-N 3.39Å; K293-N317 WeakPolarHBondContact CE-O 3.29Å; K293-N317 PolarHBondContact NZ-O 3.45Å; K293-N317 PolarHBondContact NZ-OD1 3.03Å
294	D	90.6	Very high	90.4	Very high	119 Å²	119	46.3 Å²	46.3	64%	0.636	23%	0.227	S	C	*	.	H	α-helix	trans	-62.3	-27.3	-179.9	-71.6	-13	0	0	0	111	K290 I292 G296	K290-D294 WeakPolarHBondContact O-CB 3.48Å; K290-D294 PolarHBondContact O-N 2.93Å; I292-D294 PolarHBondContact O-N 3.05Å; D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.23Å
295	T	89.3	Confident	90.2	Very high	24 Å²	24	44.2 Å²	44.2	15%	0.147	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.3	171.7	67.9	0	0	0	0	114.6	Q291 I292 K293 L348 L353	Q291-T295 WeakPolarHBondContact O-CG2 3.34Å; Q291-T295 PolarHBondContact O-N 3.22Å; I292-T295 PolarHBondContact O-N 3.23Å; I292-T295 PolarHBondContact O-OG1 3.06Å; K293-T295 PolarHBondContact O-N 3.47Å; T295-L348 HydrophobicContact CG2-CB 4.29Å; T295-L348 HydrophobicContact CG2-CD2 4.01Å; T295-L348 HydrophobicContact CG2-CG 3.72Å; T295-L353 WeakPolarHBondContact O-CD1 3.4Å
296	G	88.4	Confident	90.1	Very high	33 Å²	33	44.4 Å²	44.4	34%	0.34	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	25.3	-178.2	0	0	0	0	0	114.2	K247 K293 D294	K247-G296 WeakPolarHBondContact CD-O 3.45Å; K293-G296 WeakPolarHBondContact O-CA 3.49Å; K293-G296 PolarHBondContact O-N 3.39Å; D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.23Å
297	A	90.1	Very high	89.7	Confident	5 Å²	5	44.9 Å²	44.9	4%	0.041	22%	0.223	C	C	.	.			trans	-81	136.4	174.4	0	0	0	0	0	111.4	K247 A249 I292 L319 L353	K247-A297 CarbonylContact O-C 3.59Å; A249-A297 HydrophobicContact CB-CB 4.09Å; I292-A297 HydrophobicContact CG2-CB 3.78Å; A297-L319 WeakPolarHBondContact O-CD1 3.47Å; A297-L353 HydrophobicContact CB-CD1 3.96Å; A297-L353 HydrophobicContact CB-CD2 3.83Å
298	N	90.8	Very high	89.3	Confident	78 Å²	78	46.3 Å²	46.3	42%	0.417	23%	0.234	S	C	.	.	S	Bend	trans	-101.4	-13.1	179.8	-66	-10.2	0	0	0	112.8	D245 T246 K247 P320	D245-N298 PolarHBondContact O-ND2 2.99Å; T246-N298 HydrophobicContact CG2-CB 4.2Å; K247-N298 PolarHBondContact O-N 3.24Å; N298-P320 WeakPolarHBondContact O-CD 3.39Å
299	L	92.3	Very high	89.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.8	-179.6	177.3	66.6	0	0	0	110	F234 L243 T246 K247 M248 A249 I301 P320 I322 V359	F234-L299 HydrophobicContact CE1-CD1 3.86Å; L243-L299 HydrophobicContact CD1-CB 4.45Å; L243-L299 HydrophobicContact CD1-CD1 4.16Å; T246-L299 HydrophobicContact CG2-CB 3.56Å; T246-L299 HydrophobicContact CG2-CD2 4.15Å; K247-L299 PolarHBondContact O-N 3.38Å; M248-L299 CarbonylContact C-O 3.35Å; M248-L299 VanDerWaalsContact CA-O 3.27Å; M248-L299 WeakPolarHBondContact CA-O 3.33Å; M248-L299 HydrophobicContact CB-CB 4.09Å; M248-L299 HydrophobicContact CB-CD2 4.26Å; M248-L299 HydrophobicContact CB-CG 4.4Å; M248-L299 HydrophobicContact CE-CD2 4.38Å; A249-L299 PolarHBondContact N-O 3.25Å; L299-I301 HydrophobicContact CD2-CD1 4.13Å; L299-I301 HydrophobicContact CD2-CG1 4.15Å; L299-I301 HydrophobicContact CG-CG1 4.12Å; L299-P320 HydrophobicContact CD1-CB 3.81Å; L299-I322 HydrophobicContact CD1-CD1 4.4Å; L299-I322 HydrophobicContact CD1-CG1 4.29Å; L299-V359 HydrophobicContact CD2-CG1 4.07Å; L299-V359 HydrophobicContact CD2-CG2 4.12Å
300	A	92.8	Very high	88.8	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.7	172.2	0	0	0	0	0	110.8	I292 L319 P320 A321 I322	I292-A300 HydrophobicContact CD1-CB 4.44Å; A300-L319 HydrophobicContact CB-CD2 4.5Å; A300-P320 PolarHBondContact N-O 3.15Å; A300-A321 HydrophobicContact CB-CB 4.21Å; A300-A321 CarbonylContact O-C 3.38Å; A300-A321 VanDerWaalsContact O-CA 3.22Å; A300-A321 WeakPolarHBondContact O-CA 3.46Å; A300-I322 PolarHBondContact O-N 3.12Å
301	I	93.6	Very high	88.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.2	176.8	-57	-176.5	0	0	0	107.4	M248 A249 L251 L299 I322 V325 I333 I374	M248-I301 HydrophobicContact CB-CD1 4.34Å; M248-I301 HydrophobicContact CG-CD1 4.46Å; M248-I301 HydrophobicContact SD-CD1 3.68Å; A249-I301 PolarHBondContact O-N 3.38Å; L251-I301 WeakPolarHBondContact CB-O 3.36Å; L251-I301 PolarHBondContact N-O 2.87Å; L299-I301 HydrophobicContact CD2-CD1 4.13Å; L299-I301 HydrophobicContact CD2-CG1 4.15Å; L299-I301 HydrophobicContact CG-CG1 4.12Å; I301-I322 HydrophobicContact CG1-CD1 4.25Å; I301-V325 HydrophobicContact CG2-CB 4.3Å; I301-V325 HydrophobicContact CG2-CG1 4.37Å; I301-V325 HydrophobicContact CG2-CG2 3.76Å; I301-I333 HydrophobicContact CD1-CD1 4.44Å; I301-I333 HydrophobicContact CD1-CG2 3.94Å; I301-I333 HydrophobicContact CG2-CD1 4.29Å; I301-I374 HydrophobicContact CD1-CD1 4.29Å
302	C	92.9	Very high	88.6	Confident	1 Å²	1	44 Å²	44	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.4	-176.9	-63.1	0	0	0	0	111.1	L251 W304 F306 I322 W324 V325	L251-C302 WeakPolarHBondContact O-CA 3.36Å; C302-W304 WeakPolarHBondContact CB-O 3.32Å; C302-F306 HydrophobicContact CB-CD1 4.36Å; C302-F306 HydrophobicContact CB-CE1 4.26Å; C302-I322 PolarHBondContact N-O 3.49Å; C302-W324 PolarHBondContact O-N 3.38Å; C302-V325 PolarHBondContact O-N 2.7Å
303	Q	92.6	Very high	88.5	Confident	53 Å²	53	44.9 Å²	44.9	25%	0.248	23%	0.229	C	C	.	.	S	Bend	trans	-61.7	-46.7	171.2	-167.2	176.6	8.6	0	0	111.5	L251 T252 W324 V325 I330	L251-Q303 PolarHBondContact O-N 2.92Å; T252-Q303 HydrophobicContact CG2-CB 4.41Å; Q303-W324 VanDerWaalsContact O-CA 3.27Å; Q303-W324 WeakPolarHBondContact O-CA 3.5Å; Q303-V325 WeakPolarHBondContact CG-O 3.36Å; Q303-V325 PolarHBondContact O-N 3.32Å; Q303-I330 VanDerWaalsContact CA-CD1 3.46Å; Q303-I330 HydrophobicContact CB-CD1 3.31Å; Q303-I330 HydrophobicContact CG-CD1 3.69Å
304	W	89.8	Confident	88.5	Confident	129 Å²	129	41.1 Å²	41.1	49%	0.489	21%	0.213	S	C	.	.	S	Bend	trans	-91.8	157.7	-177.4	-61.6	104.2	0	0	0	111.5	T252 P254 C302 W324	T252-W304 VanDerWaalsContact O-CD1 3.25Å; T252-W304 PolarHBondContact O-NE1 3.37Å; P254-W304 HydrophobicContact CB-CB 4.33Å; C302-W304 WeakPolarHBondContact CB-O 3.32Å; W304-W324 HydrophobicContact CE3-CZ3 4.1Å; W304-W324 HydrophobicContact CZ3-CZ3 4.47Å
305	G	84.7	Confident	88.4	Confident	5 Å²	5	37 Å²	37	5%	0.052	19%	0.191	C	C	.	.			trans	-63.3	165.5	167.9	0	0	0	0	0	112.7	W324	G305-W324 VanDerWaalsContact CA-CE2 3.4Å
306	F	86.3	Confident	88.5	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.035	21%	0.214	C	C	.	.			trans	-147.1	159.3	167.7	51.3	-92.4	0	0	0	110.2	F255 C302 A310 N311 L314 A321 R323	F255-F306 HydrophobicContact CB-CB 3.78Å; F255-F306 HydrophobicContact CB-CD1 4.03Å; F255-F306 HydrophobicContact CB-CG 4.05Å; F255-F306 HydrophobicContact CD1-CB 4.21Å; F255-F306 HydrophobicContact CD1-CD2 4.42Å; F255-F306 HydrophobicContact CD1-CG 4.28Å; F255-F306 HydrophobicContact CG-CB 4.46Å; F255-F306 HydrophobicContact CG-CG 4.49Å; F255-F306 WeakPolarHBondContact O-CB 3.49Å; C302-F306 HydrophobicContact CB-CD1 4.36Å; C302-F306 HydrophobicContact CB-CE1 4.26Å; F306-A310 HydrophobicContact CB-CB 4.48Å; F306-A310 HydrophobicContact CD2-CB 3.96Å; F306-N311 HydrophobicContact CE2-CB 4.44Å; F306-N311 WeakPolarHBondContact CE2-OD1 3.42Å; F306-L314 HydrophobicContact CD2-CD1 4.07Å; F306-L314 HydrophobicContact CE2-CD1 3.34Å; F306-L314 HydrophobicContact CZ-CD1 3.75Å; F306-A321 HydrophobicContact CE1-CB 4.29Å; F306-A321 HydrophobicContact CE2-CB 4.46Å; F306-A321 HydrophobicContact CZ-CB 3.6Å; F306-R323 HydrophobicContact CD1-CB 4.03Å; F306-R323 HydrophobicContact CE1-CB 3.64Å; F306-R323 HydrophobicContact CZ-CB 4.25Å
307	D	81.6	Confident	88.4	Confident	80 Å²	80	42.8 Å²	42.8	43%	0.428	21%	0.208	S	C	.	.			trans	-69.8	159.4	-170.6	-65.5	-37.4	0	0	0	113.2	E309 A310 N311	D307-E309 VanDerWaalsContact C-N 3.26Å; D307-E309 PolarHBondContact O-N 2.77Å; D307-A310 WeakPolarHBondContact O-CB 3.41Å; D307-A310 PolarHBondContact O-N 3.47Å; D307-A310 VanDerWaalsContact O-N 3.11Å; D307-N311 PolarHBondContact O-N 3.28Å; D307-N311 VanDerWaalsContact O-N 3.07Å
308	D	81	Confident	88.3	Confident	122 Å²	122	50.9 Å²	50.9	65%	0.652	25%	0.246	S	C	*	.	H	α-helix	trans	-64.5	-29.7	-179	-71	-21.6	0	0	0	113	N311 H312	D308-N311 WeakPolarHBondContact O-CB 3.36Å; D308-N311 PolarHBondContact O-N 2.69Å; D308-H312 PolarHBondContact O-N 3.15Å
309	E	83.5	Confident	88.3	Confident	72 Å²	72	47.3 Å²	47.3	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-64.6	-41.6	173.7	-176.2	164.4	-158	0	0	111.4	K282 D307 H312 L313	K282-E309 WeakPolarHBondContact CE-OE1 3.42Å; K282-E309 IonicContact NZ-OE1 2.76Å; D307-E309 VanDerWaalsContact C-N 3.26Å; D307-E309 PolarHBondContact O-N 2.77Å; E309-H312 PolarHBondContact O-N 3.47Å; E309-L313 HydrophobicContact CG-CD1 4.49Å; E309-L313 WeakPolarHBondContact O-CG 3.41Å; E309-L313 PolarHBondContact O-N 3.1Å; E309-L313 VanDerWaalsContact O-N 3.07Å
310	A	84.9	Confident	88.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-39.8	174.4	0	0	0	0	0	111.7	F255 F285 F306 D307 H312 L313 L314	F255-A310 HydrophobicContact CD1-CB 3.86Å; F255-A310 HydrophobicContact CE1-CB 3.89Å; F285-A310 HydrophobicContact CD1-CB 3.95Å; F285-A310 HydrophobicContact CE1-CB 3.65Å; F285-A310 HydrophobicContact CZ-CB 3.96Å; F306-A310 HydrophobicContact CB-CB 4.48Å; F306-A310 HydrophobicContact CD2-CB 3.96Å; D307-A310 WeakPolarHBondContact O-CB 3.41Å; D307-A310 PolarHBondContact O-N 3.47Å; D307-A310 VanDerWaalsContact O-N 3.11Å; A310-H312 PolarHBondContact O-N 2.78Å; A310-L313 PolarHBondContact O-N 3.25Å; A310-L314 WeakPolarHBondContact O-CB 3.33Å; A310-L314 WeakPolarHBondContact O-CD1 3.03Å; A310-L314 VanDerWaalsContact O-CG 3.3Å; A310-L314 WeakPolarHBondContact O-CG 3.38Å; A310-L314 PolarHBondContact O-N 3.41Å
311	N	87.4	Confident	88.3	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-46.9	173.3	-87.9	-46.3	0	0	0	112.6	S235 F306 D307 D308 L314 L315	S235-N311 WeakPolarHBondContact CB-OD1 3.45Å; S235-N311 PolarHBondContact OG-OD1 2.84Å; F306-N311 HydrophobicContact CE2-CB 4.44Å; F306-N311 WeakPolarHBondContact CE2-OD1 3.42Å; D307-N311 PolarHBondContact O-N 3.28Å; D307-N311 VanDerWaalsContact O-N 3.07Å; D308-N311 WeakPolarHBondContact O-CB 3.36Å; D308-N311 PolarHBondContact O-N 2.69Å; N311-L314 PolarHBondContact O-N 2.84Å; N311-L315 PolarHBondContact O-N 3.41Å
312	H	87.8	Confident	88.2	Confident	109 Å²	109	47.6 Å²	47.6	51%	0.505	23%	0.228	S	C	.	.	H	α-helix	trans	-64.8	-41.3	178.7	-177.1	-80.2	0	0	0	111.6	D308 E309 A310 L315 Q316	D308-H312 PolarHBondContact O-N 3.15Å; E309-H312 PolarHBondContact O-N 3.47Å; A310-H312 PolarHBondContact O-N 2.78Å; H312-L315 PolarHBondContact O-N 3.03Å; H312-Q316 PolarHBondContact O-N 2.89Å
313	L	88.6	Confident	88.1	Confident	18 Å²	18	51.7 Å²	51.7	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-38.4	177.1	-69.2	173.6	0	0	0	112.3	F285 L286 I289 E309 A310 Q316 N317	F285-L313 HydrophobicContact CB-CD1 3.76Å; F285-L313 HydrophobicContact CD2-CD1 4.43Å; F285-L313 HydrophobicContact CG-CD1 4.37Å; L286-L313 HydrophobicContact CD2-CD2 4.32Å; I289-L313 HydrophobicContact CD1-CB 3.7Å; E309-L313 HydrophobicContact CG-CD1 4.49Å; E309-L313 WeakPolarHBondContact O-CG 3.41Å; E309-L313 PolarHBondContact O-N 3.1Å; E309-L313 VanDerWaalsContact O-N 3.07Å; A310-L313 PolarHBondContact O-N 3.25Å; L313-Q316 PolarHBondContact O-N 3.3Å; L313-N317 WeakPolarHBondContact O-CB 3.33Å; L313-N317 PolarHBondContact O-N 3.31Å; L313-N317 VanDerWaalsContact O-N 3.11Å; L313-N317 PolarHBondContact O-ND2 3.33Å
314	L	90.1	Very high	88	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-43	174.3	-77.1	162.5	0	0	0	111.5	M239 F255 I289 F306 A310 N311 N317 E318 L319 A321	M239-L314 HydrophobicContact CE-CB 4.22Å; F255-L314 HydrophobicContact CD1-CD1 4.46Å; F255-L314 HydrophobicContact CE1-CD1 4.12Å; F255-L314 HydrophobicContact CE1-CG 4.34Å; F255-L314 HydrophobicContact CZ-CD1 4.46Å; F255-L314 HydrophobicContact CZ-CD2 4.13Å; F255-L314 HydrophobicContact CZ-CG 4.4Å; I289-L314 HydrophobicContact CD1-CD2 4.14Å; I289-L314 HydrophobicContact CD1-CG 4.15Å; I289-L314 HydrophobicContact CG1-CD2 3.88Å; I289-L314 HydrophobicContact CG1-CG 4.37Å; F306-L314 HydrophobicContact CD2-CD1 4.07Å; F306-L314 HydrophobicContact CE2-CD1 3.34Å; F306-L314 HydrophobicContact CZ-CD1 3.75Å; A310-L314 WeakPolarHBondContact O-CB 3.33Å; A310-L314 WeakPolarHBondContact O-CD1 3.03Å; A310-L314 VanDerWaalsContact O-CG 3.3Å; A310-L314 WeakPolarHBondContact O-CG 3.38Å; A310-L314 PolarHBondContact O-N 3.41Å; N311-L314 PolarHBondContact O-N 2.84Å; L314-N317 CarbonylContact O-C 3.6Å; L314-N317 PolarHBondContact O-N 2.91Å; L314-E318 PolarHBondContact O-N 3.35Å; L314-L319 HydrophobicContact CD2-CB 4.17Å; L314-L319 HydrophobicContact CD2-CD2 3.7Å; L314-L319 HydrophobicContact CD2-CG 4.17Å; L314-L319 PolarHBondContact O-N 3.38Å; L314-A321 HydrophobicContact CD1-CB 3.86Å
315	L	89.3	Confident	88.2	Confident	34 Å²	34	49.8 Å²	49.8	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-48	175.6	-179.1	75	0	0	0	112.4	H236 Q238 M239 N311 H312 N317 E318	H236-L315 VanDerWaalsContact CE1-CD2 3.47Å; H236-L315 WeakPolarHBondContact CE1-CD2 3.36Å; H236-L315 WeakPolarHBondContact ND1-CD2 2.9Å; Q238-L315 HydrophobicContact CB-CD1 4.06Å; Q238-L315 HydrophobicContact CB-CD2 4.18Å; M239-L315 HydrophobicContact CG-CD1 3.85Å; N311-L315 PolarHBondContact O-N 3.41Å; H312-L315 PolarHBondContact O-N 3.03Å; L315-N317 PolarHBondContact O-N 3.05Å; L315-E318 PolarHBondContact O-N 3.05Å
316	Q	89.6	Confident	88.5	Confident	136 Å²	136	50.9 Å²	50.9	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-60.1	-28.1	178.4	-173.5	177	4.4	0	0	111.8	H312 L313	H312-Q316 PolarHBondContact O-N 2.89Å; L313-Q316 PolarHBondContact O-N 3.3Å
317	N	87.4	Confident	88.6	Confident	41 Å²	41	52.1 Å²	52.1	22%	0.219	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	10.6	174.6	-79.3	-72.7	0	0	0	113.3	I289 K293 L313 L314 L315 L319	I289-N317 HydrophobicContact CG2-CB 3.68Å; K293-N317 WeakPolarHBondContact CE-O 3.29Å; K293-N317 PolarHBondContact NZ-O 3.45Å; K293-N317 PolarHBondContact NZ-OD1 3.03Å; L313-N317 WeakPolarHBondContact O-CB 3.33Å; L313-N317 PolarHBondContact O-N 3.31Å; L313-N317 VanDerWaalsContact O-N 3.11Å; L313-N317 PolarHBondContact O-ND2 3.33Å; L314-N317 CarbonylContact O-C 3.6Å; L314-N317 PolarHBondContact O-N 2.91Å; L315-N317 PolarHBondContact O-N 3.05Å; N317-L319 PolarHBondContact O-N 3.45Å; N317-L319 VanDerWaalsContact O-N 3.07Å
318	E	88.3	Confident	88.9	Confident	176 Å²	176	52.9 Å²	52.9	82%	0.822	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	33.2	178.2	-54.8	-179.6	166.2	0	0	113.3	L314 L315 P320	L314-E318 PolarHBondContact O-N 3.35Å; L315-E318 PolarHBondContact O-N 3.05Å; E318-P320 VanDerWaalsContact O-CD 3.29Å; E318-P320 WeakPolarHBondContact O-CD 2.98Å
319	L	90.4	Very high	89.3	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	25%	0.246	C	C	.	.			trans	-111.6	96.7	177.2	-173.3	67.1	0	0	0	109.4	I289 I292 A297 A300 L314 N317	I289-L319 HydrophobicContact CG2-CD2 4.32Å; I292-L319 HydrophobicContact CB-CD2 4Å; I292-L319 HydrophobicContact CD1-CD2 4.11Å; I292-L319 HydrophobicContact CG2-CD1 4.25Å; I292-L319 HydrophobicContact CG2-CD2 3.69Å; A297-L319 WeakPolarHBondContact O-CD1 3.47Å; A300-L319 HydrophobicContact CB-CD2 4.5Å; L314-L319 HydrophobicContact CD2-CB 4.17Å; L314-L319 HydrophobicContact CD2-CD2 3.7Å; L314-L319 HydrophobicContact CD2-CG 4.17Å; L314-L319 PolarHBondContact O-N 3.38Å; N317-L319 PolarHBondContact O-N 3.45Å; N317-L319 VanDerWaalsContact O-N 3.07Å
320	P	92.1	Very high	89.7	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.032	23%	0.231	C	C	.	.			trans	-55.2	139.2	171.9	-24.8	32.3	0	0	0	111.5	F234 M239 P240 L243 N298 L299 A300 E318	F234-P320 HydrophobicContact CD1-CB 4.15Å; F234-P320 HydrophobicContact CE1-CB 3.99Å; M239-P320 HydrophobicContact SD-CB 4.35Å; P240-P320 HydrophobicContact CG-CG 3.74Å; L243-P320 HydrophobicContact CD1-CB 3.99Å; L243-P320 HydrophobicContact CD1-CG 3.86Å; L243-P320 HydrophobicContact CD2-CG 4.08Å; N298-P320 WeakPolarHBondContact O-CD 3.39Å; L299-P320 HydrophobicContact CD1-CB 3.81Å; A300-P320 PolarHBondContact N-O 3.15Å; E318-P320 VanDerWaalsContact O-CD 3.29Å; E318-P320 WeakPolarHBondContact O-CD 2.98Å
321	A	92	Very high	90	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.4	179.9	0	0	0	0	0	112.3	S235 M239 A300 F306 L314	S235-A321 VanDerWaalsContact CB-O 3.29Å; S235-A321 WeakPolarHBondContact CB-O 3.49Å; S235-A321 PolarHBondContact N-O 2.95Å; S235-A321 PolarHBondContact OG-O 2.91Å; M239-A321 HydrophobicContact CE-CB 4.47Å; A300-A321 HydrophobicContact CB-CB 4.21Å; A300-A321 CarbonylContact O-C 3.38Å; A300-A321 VanDerWaalsContact O-CA 3.22Å; A300-A321 WeakPolarHBondContact O-CA 3.46Å; F306-A321 HydrophobicContact CE1-CB 4.29Å; F306-A321 HydrophobicContact CE2-CB 4.46Å; F306-A321 HydrophobicContact CZ-CB 3.6Å; L314-A321 HydrophobicContact CD1-CB 3.86Å
322	I	92.1	Very high	90	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.2	175.5	-49.7	179.1	0	0	0	107.4	K232 F234 L299 A300 I301 C302 V325 L372	K232-I322 HydrophobicContact CB-CG2 3.94Å; F234-I322 HydrophobicContact CD1-CG1 4.42Å; L299-I322 HydrophobicContact CD1-CD1 4.4Å; L299-I322 HydrophobicContact CD1-CG1 4.29Å; A300-I322 PolarHBondContact O-N 3.12Å; I301-I322 HydrophobicContact CG1-CD1 4.25Å; C302-I322 PolarHBondContact N-O 3.49Å; I322-V325 HydrophobicContact CB-CG2 4.28Å; I322-V325 HydrophobicContact CG2-CG2 3.57Å; I322-L372 HydrophobicContact CD1-CD1 3.9Å; I322-L372 HydrophobicContact CD1-CD2 3.33Å; I322-L372 HydrophobicContact CD1-CG 4.13Å
323	R	91.2	Very high	90.2	Very high	87 Å²	87	46.1 Å²	46.1	33%	0.328	24%	0.235	S	C	.	.			trans	-115.9	157	-179	57.4	175.1	-173.3	149.7	3.1	110.8	F306 V325	F306-R323 HydrophobicContact CD1-CB 4.03Å; F306-R323 HydrophobicContact CE1-CB 3.64Å; F306-R323 HydrophobicContact CZ-CB 4.25Å; R323-V325 PolarHBondContact O-N 2.94Å
324	W	91.1	Very high	90.3	Very high	139 Å²	139	45.7 Å²	45.7	53%	0.527	24%	0.235	S	C	.	.	S	Bend	trans	59.3	42.4	175.3	-59.2	108.8	0	0	0	113.8	K232 C302 Q303 W304 G305	K232-W324 WeakPolarHBondContact CE-O 3.47Å; C302-W324 PolarHBondContact O-N 3.38Å; Q303-W324 VanDerWaalsContact O-CA 3.27Å; Q303-W324 WeakPolarHBondContact O-CA 3.5Å; W304-W324 HydrophobicContact CE3-CZ3 4.1Å; W304-W324 HydrophobicContact CZ3-CZ3 4.47Å; G305-W324 VanDerWaalsContact CA-CE2 3.4Å
325	V	92.6	Very high	90.3	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	25%	0.248	C	C	.	.			trans	-79.9	135.3	174.5	-173.2	0	0	0	0	109.7	I230 I301 C302 Q303 I322 R323 E329 I330 I333	I230-V325 HydrophobicContact CD1-CG1 4.49Å; I230-V325 HydrophobicContact CG2-CG1 4.42Å; I301-V325 HydrophobicContact CG2-CB 4.3Å; I301-V325 HydrophobicContact CG2-CG1 4.37Å; I301-V325 HydrophobicContact CG2-CG2 3.76Å; C302-V325 PolarHBondContact O-N 2.7Å; Q303-V325 WeakPolarHBondContact CG-O 3.36Å; Q303-V325 PolarHBondContact O-N 3.32Å; I322-V325 HydrophobicContact CB-CG2 4.28Å; I322-V325 HydrophobicContact CG2-CG2 3.57Å; R323-V325 PolarHBondContact O-N 2.94Å; V325-E329 HydrophobicContact CG1-CB 3.79Å; V325-I330 HydrophobicContact CB-CD1 4.21Å; V325-I330 HydrophobicContact CB-CG1 4.02Å; V325-I330 HydrophobicContact CG1-CD1 4.4Å; V325-I330 HydrophobicContact CG1-CG1 3.68Å; V325-I333 HydrophobicContact CG1-CD1 4.04Å
326	G	90.9	Very high	90.4	Very high	28 Å²	28	46.8 Å²	46.8	29%	0.289	24%	0.24	S	C	.	.			trans	-62.3	151.2	-179.5	0	0	0	0	0	112.5	E329 I330	G326-E329 PolarHBondContact N-OE2 2.92Å; G326-E329 WeakPolarHBondContact O-CB 3.48Å; G326-E329 PolarHBondContact O-N 2.83Å; G326-I330 PolarHBondContact O-N 2.99Å
327	G	89.1	Confident	90.4	Very high	35 Å²	35	40.4 Å²	40.4	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-54.8	-54.1	175.7	0	0	0	0	0	113.1	E329 I330 E331	G327-E329 VanDerWaalsContact C-N 3.26Å; G327-E329 PolarHBondContact O-N 3.4Å; G327-I330 PolarHBondContact O-N 3.48Å; G327-E331 PolarHBondContact O-N 2.82Å
328	P	88.1	Confident	90.4	Very high	96 Å²	96	41 Å²	41	62%	0.623	23%	0.226	S	C	*	.	H	α-helix	trans	-61.9	-32.6	176.7	-24.2	34.6	0	0	0	113.3	E331 L332	P328-E331 PolarHBondContact O-N 2.78Å; P328-L332 PolarHBondContact O-N 3.2Å
329	E	88.9	Confident	90.5	Very high	32 Å²	32	33 Å²	33	15%	0.15	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-39.2	178	-57.8	-174.7	135.8	0	0	111.6	K210 V325 G326 G327 E331 L332 I333	K210-E329 IonicContact NZ-OE1 3.49Å; K210-E329 PolarHBondContact NZ-OE1 3.4Å; V325-E329 HydrophobicContact CG1-CB 3.79Å; G326-E329 PolarHBondContact N-OE2 2.92Å; G326-E329 WeakPolarHBondContact O-CB 3.48Å; G326-E329 PolarHBondContact O-N 2.83Å; G327-E329 VanDerWaalsContact C-N 3.26Å; G327-E329 PolarHBondContact O-N 3.4Å; E329-E331 VanDerWaalsContact C-N 3.31Å; E329-E331 PolarHBondContact O-N 3.23Å; E329-L332 PolarHBondContact O-N 2.96Å; E329-I333 VanDerWaalsContact O-CD1 3.27Å; E329-I333 WeakPolarHBondContact O-CD1 3.46Å; E329-I333 WeakPolarHBondContact O-CG1 3.49Å; E329-I333 PolarHBondContact O-N 3.05Å
330	I	91.9	Very high	90.6	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-40	176	-77.9	178	0	0	0	111.7	I250 T252 Q303 V325 G326 G327 I333 A334 I341	I250-I330 HydrophobicContact CG2-CG2 3.57Å; T252-I330 HydrophobicContact CG2-CD1 4.49Å; T252-I330 HydrophobicContact CG2-CG2 4.46Å; Q303-I330 VanDerWaalsContact CA-CD1 3.46Å; Q303-I330 HydrophobicContact CB-CD1 3.31Å; Q303-I330 HydrophobicContact CG-CD1 3.69Å; V325-I330 HydrophobicContact CB-CD1 4.21Å; V325-I330 HydrophobicContact CB-CG1 4.02Å; V325-I330 HydrophobicContact CG1-CD1 4.4Å; V325-I330 HydrophobicContact CG1-CG1 3.68Å; G326-I330 PolarHBondContact O-N 2.99Å; G327-I330 PolarHBondContact O-N 3.48Å; I330-I333 PolarHBondContact O-N 2.88Å; I330-A334 WeakPolarHBondContact O-CB 3.4Å; I330-A334 PolarHBondContact O-N 2.88Å; I330-I341 HydrophobicContact CG2-CD1 3.83Å; I330-I341 HydrophobicContact CG2-CG1 3.86Å; I330-I341 HydrophobicContact CG2-CG2 4.12Å
331	E	90.6	Very high	90.7	Very high	110 Å²	110	44.3 Å²	44.3	51%	0.514	24%	0.237	S	C	.	.	H	α-helix	trans	-64.7	-47.2	176.3	-177.3	163.9	-156.4	0	0	111.3	G327 P328 E329 I333 A334 I335	G327-E331 PolarHBondContact O-N 2.82Å; P328-E331 PolarHBondContact O-N 2.78Å; E329-E331 VanDerWaalsContact C-N 3.31Å; E329-E331 PolarHBondContact O-N 3.23Å; E331-I333 VanDerWaalsContact C-N 3.34Å; E331-I333 PolarHBondContact O-N 3.3Å; E331-A334 WeakPolarHBondContact O-CB 3.49Å; E331-A334 PolarHBondContact O-N 3.41Å; E331-A334 VanDerWaalsContact O-N 3.15Å; E331-I335 HydrophobicContact CG-CD1 3.94Å; E331-I335 VanDerWaalsContact O-CG1 3.29Å; E331-I335 WeakPolarHBondContact O-CG1 3.41Å; E331-I335 PolarHBondContact O-N 3.17Å
332	L	88.8	Confident	90.8	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-57.3	-44.2	173.5	-85.6	158.2	0	0	0	112.5	E207 K210 V228 P328 E329 A334 I335 A336 A382	E207-L332 WeakPolarHBondContact O-CD2 3.48Å; K210-L332 HydrophobicContact CB-CD1 4.23Å; K210-L332 HydrophobicContact CD-CD1 4.18Å; K210-L332 HydrophobicContact CG-CD1 4.5Å; V228-L332 HydrophobicContact CG1-CB 4.43Å; V228-L332 HydrophobicContact CG2-CB 4.18Å; P328-L332 PolarHBondContact O-N 3.2Å; E329-L332 PolarHBondContact O-N 2.96Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-I335 PolarHBondContact O-N 3.38Å; L332-A336 VanDerWaalsContact O-CB 3.27Å; L332-A336 WeakPolarHBondContact O-CB 3.34Å; L332-A336 PolarHBondContact O-N 3.19Å; L332-A382 HydrophobicContact CD2-CB 4.23Å
333	I	91.3	Very high	90.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-41.6	177	-65.1	157.8	0	0	0	110.5	V228 I230 M248 I250 I301 V325 E329 I330 E331 A336 T337 I374	V228-I333 HydrophobicContact CB-CG1 4.18Å; V228-I333 HydrophobicContact CG1-CG1 3.95Å; V228-I333 HydrophobicContact CG2-CG1 4.41Å; I230-I333 HydrophobicContact CD1-CD1 3.35Å; I230-I333 HydrophobicContact CD1-CG1 4.2Å; I230-I333 HydrophobicContact CG1-CD1 4.07Å; M248-I333 HydrophobicContact SD-CG2 3.8Å; I250-I333 HydrophobicContact CD1-CG2 3.91Å; I250-I333 HydrophobicContact CG1-CG2 4.31Å; I301-I333 HydrophobicContact CD1-CD1 4.44Å; I301-I333 HydrophobicContact CD1-CG2 3.94Å; I301-I333 HydrophobicContact CG2-CD1 4.29Å; V325-I333 HydrophobicContact CG1-CD1 4.04Å; E329-I333 VanDerWaalsContact O-CD1 3.27Å; E329-I333 WeakPolarHBondContact O-CD1 3.46Å; E329-I333 WeakPolarHBondContact O-CG1 3.49Å; E329-I333 PolarHBondContact O-N 3.05Å; I330-I333 PolarHBondContact O-N 2.88Å; E331-I333 VanDerWaalsContact C-N 3.34Å; E331-I333 PolarHBondContact O-N 3.3Å; I333-A336 PolarHBondContact O-N 3Å; I333-T337 HydrophobicContact CG2-CG2 4.25Å; I333-T337 WeakPolarHBondContact O-CB 3.27Å; I333-T337 WeakPolarHBondContact O-CG2 3.2Å; I333-T337 PolarHBondContact O-N 2.85Å; I333-T337 PolarHBondContact O-OG1 3.18Å; I333-I374 HydrophobicContact CG1-CD1 4.26Å; I333-I374 HydrophobicContact CG2-CD1 4.23Å
334	A	91.7	Very high	90.6	Very high	10 Å²	10	50.9 Å²	50.9	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-45.6	177	0	0	0	0	0	111.2	I250 I330 E331 L332 G338 G339 I341	I250-A334 VanDerWaalsContact CD1-CA 3.49Å; I250-A334 HydrophobicContact CD1-CB 3.86Å; I330-A334 WeakPolarHBondContact O-CB 3.4Å; I330-A334 PolarHBondContact O-N 2.88Å; E331-A334 WeakPolarHBondContact O-CB 3.49Å; E331-A334 PolarHBondContact O-N 3.41Å; E331-A334 VanDerWaalsContact O-N 3.15Å; L332-A334 VanDerWaalsContact C-N 3.34Å; A334-G338 CarbonylContact O-C 3.55Å; A334-G338 VanDerWaalsContact O-CA 3.32Å; A334-G338 WeakPolarHBondContact O-CA 3.46Å; A334-G338 PolarHBondContact O-N 2.99Å; A334-G339 PolarHBondContact O-N 3.13Å; A334-G339 VanDerWaalsContact O-N 3.11Å; A334-I341 HydrophobicContact CB-CD1 4.39Å; A334-I341 HydrophobicContact CB-CG1 3.86Å
335	I	90.1	Very high	90.3	Very high	58 Å²	58	45.3 Å²	45.3	30%	0.297	25%	0.25	S	C	.	.	H	α-helix	trans	-65.8	-45.1	178.5	-63.4	162.7	0	0	0	111.3	L208 E331 L332 N379	L208-I335 HydrophobicContact CD2-CD1 3.97Å; L208-I335 HydrophobicContact CD2-CG2 3.8Å; E331-I335 HydrophobicContact CG-CD1 3.94Å; E331-I335 VanDerWaalsContact O-CG1 3.29Å; E331-I335 WeakPolarHBondContact O-CG1 3.41Å; E331-I335 PolarHBondContact O-N 3.17Å; L332-I335 PolarHBondContact O-N 3.38Å; I335-N379 PolarHBondContact O-ND2 3.45Å
336	A	89.5	Confident	90	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-51.9	179.2	0	0	0	0	0	111.1	V228 L332 I333 G338 C377 N379 A382	V228-A336 HydrophobicContact CG2-CB 3.77Å; L332-A336 VanDerWaalsContact O-CB 3.27Å; L332-A336 WeakPolarHBondContact O-CB 3.34Å; L332-A336 PolarHBondContact O-N 3.19Å; I333-A336 PolarHBondContact O-N 3Å; A336-G338 VanDerWaalsContact C-N 3.33Å; A336-G338 PolarHBondContact O-N 3.12Å; A336-C377 HydrophobicContact CB-CB 4.35Å; A336-C377 WeakPolarHBondContact O-CB 3.44Å; A336-N379 WeakPolarHBondContact O-CB 3.46Å; A336-N379 PolarHBondContact O-N 2.67Å; A336-A382 HydrophobicContact CB-CB 3.83Å
337	T	89.5	Confident	89.9	Confident	2 Å²	2	52 Å²	52	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-83.7	-9.6	-173.4	64.7	0	0	0	0	114.1	M248 I333 G339 G354 S355 A356 I374	M248-T337 HydrophobicContact CE-CG2 3.81Å; M248-T337 HydrophobicContact CG-CG2 4.44Å; M248-T337 HydrophobicContact SD-CG2 3.47Å; M248-T337 WeakPolarHBondContact SD-CG2 3.43Å; I333-T337 HydrophobicContact CG2-CG2 4.25Å; I333-T337 WeakPolarHBondContact O-CB 3.27Å; I333-T337 WeakPolarHBondContact O-CG2 3.2Å; I333-T337 PolarHBondContact O-N 2.85Å; I333-T337 PolarHBondContact O-OG1 3.18Å; T337-G339 PolarHBondContact O-N 3.49Å; T337-G339 PolarHBondContact OG1-N 2.83Å; T337-G354 WeakPolarHBondContact OG1-CA 3.38Å; T337-S355 PolarHBondContact O-N 3.14Å; T337-S355 VanDerWaalsContact O-N 3.09Å; T337-A356 HydrophobicContact CG2-CB 4.31Å; T337-I374 HydrophobicContact CG2-CG2 4.32Å
338	G	88.5	Confident	89.9	Confident	52 Å²	52	51.1 Å²	51.1	54%	0.536	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	13.1	-172.6	0	0	0	0	0	113.7	A334 A336	A334-G338 CarbonylContact O-C 3.55Å; A334-G338 VanDerWaalsContact O-CA 3.32Å; A334-G338 WeakPolarHBondContact O-CA 3.46Å; A334-G338 PolarHBondContact O-N 2.99Å; A336-G338 VanDerWaalsContact C-N 3.33Å; A336-G338 PolarHBondContact O-N 3.12Å
339	G	90.1	Very high	90.1	Very high	8 Å²	8	49.4 Å²	49.4	8%	0.082	26%	0.26	C	S	.	.			trans	-77.1	161.8	177.5	0	0	0	0	0	112.2	A334 T337	A334-G339 PolarHBondContact O-N 3.13Å; A334-G339 VanDerWaalsContact O-N 3.11Å; T337-G339 PolarHBondContact O-N 3.49Å; T337-G339 PolarHBondContact OG1-N 2.83Å
340	R	92.8	Very high	90.1	Very high	175 Å²	175	51 Å²	51	66%	0.66	28%	0.279	S	S	*	.			trans	-105.5	140.2	171.3	-68.2	-173.5	179.4	177.2	1.5	109.8	V342 K352	R340-V342 WeakPolarHBondContact O-CG2 3.33Å; R340-V342 PolarHBondContact O-N 3.46Å; R340-K352 HydrophobicContact CB-CB 4.13Å; R340-K352 HydrophobicContact CB-CG 4.14Å; R340-K352 PolarHBondContact N-O 3.32Å
341	I	94.6	Very high	90	Very high	71 Å²	71	59.7 Å²	59.7	36%	0.364	32%	0.319	S	S	.	.			trans	-68.5	123.6	174.8	-55.4	171.3	0	0	0	108.6	I250 T252 I330 A334	I250-I341 HydrophobicContact CG2-CG1 4.18Å; T252-I341 HydrophobicContact CG2-CG2 3.28Å; I330-I341 HydrophobicContact CG2-CD1 3.83Å; I330-I341 HydrophobicContact CG2-CG1 3.86Å; I330-I341 HydrophobicContact CG2-CG2 4.12Å; A334-I341 HydrophobicContact CB-CD1 4.39Å; A334-I341 HydrophobicContact CB-CG1 3.86Å
342	V	93.9	Very high	90	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-103.3	115.1	-176	-176.6	0	0	0	0	110.5	I250 L251 T252 R340 R344 L348 K352	I250-V342 PolarHBondContact O-N 3.27Å; L251-V342 HydrophobicContact CD2-CB 4.12Å; L251-V342 HydrophobicContact CD2-CG1 4.45Å; T252-V342 PolarHBondContact N-O 3.44Å; T252-V342 VanDerWaalsContact N-O 3.09Å; T252-V342 PolarHBondContact OG1-O 2.93Å; R340-V342 WeakPolarHBondContact O-CG2 3.33Å; R340-V342 PolarHBondContact O-N 3.46Å; V342-R344 WeakPolarHBondContact CG1-O 3.39Å; V342-L348 HydrophobicContact CB-CD1 4.38Å; V342-L348 HydrophobicContact CG1-CB 4.4Å; V342-L348 HydrophobicContact CG1-CD1 4.25Å; V342-L348 HydrophobicContact CG2-CD1 3.93Å; V342-K352 HydrophobicContact CG2-CB 4.07Å; V342-K352 HydrophobicContact CG2-CD 4.09Å
343	P	91.1	Very high	90.2	Very high	66 Å²	66	56.7 Å²	56.7	43%	0.429	31%	0.305	S	S	.	.	S	Bend	trans	-82.4	-20.9	-177	32.4	-35.9	0	0	0	114.1	T252 C253	T252-P343 WeakPolarHBondContact OG1-CA 3.5Å; C253-P343 VanDerWaalsContact CB-O 3.32Å; C253-P343 WeakPolarHBondContact CB-O 3.41Å
344	R	88.3	Confident	90.2	Very high	159 Å²	159	56.7 Å²	56.7	60%	0.6	31%	0.305	S	S	*	.	S	Bend	trans	-141.8	136.9	-177.1	-70.4	-173	-79.9	-140.4	-3.5	110.7	V342 S346 E347	V342-R344 WeakPolarHBondContact CG1-O 3.39Å; R344-S346 PolarHBondContact O-N 3.4Å; R344-E347 HydrophobicContact CB-CG 4.41Å; R344-E347 IonicContact CZ-OE1 3.31Å; R344-E347 VanDerWaalsContact CZ-OE1 3.23Å; R344-E347 IonicContact NE-OE1 3.71Å; R344-E347 PolarHBondContact NE-OE1 2.89Å; R344-E347 IonicContact NH2-OE1 3.08Å; R344-E347 PolarHBondContact NH2-OE1 3.24Å; R344-E347 PolarHBondContact O-N 3.24Å
345	F	85.1	Confident	90.2	Very high	22 Å²	22	57.2 Å²	57.2	10%	0.096	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-55.5	-36.1	177.8	-68.7	-75.6	0	0	0	113.5	L251 C253 F255 M288 I292 E347 L348	L251-F345 HydrophobicContact CD1-CE1 3.78Å; L251-F345 HydrophobicContact CD1-CZ 4.37Å; L251-F345 HydrophobicContact CD2-CE1 4.48Å; C253-F345 HydrophobicContact CB-CD2 4.33Å; C253-F345 HydrophobicContact CB-CE2 3.96Å; C253-F345 HydrophobicContact CB-CZ 4.5Å; C253-F345 WeakPolarHBondContact SG-CE2 3.46Å; C253-F345 VanDerWaalsContact SG-CZ 3.54Å; F255-F345 HydrophobicContact CB-CZ 4.42Å; F255-F345 AromaticContact CD2-CE1 3.83Å; F255-F345 HydrophobicContact CD2-CE1 3.83Å; F255-F345 AromaticContact CD2-CZ 3.5Å; F255-F345 HydrophobicContact CD2-CZ 3.5Å; F255-F345 VanDerWaalsContact CD2-CZ 3.5Å; F255-F345 HydrophobicContact CE2-CE1 4.09Å; F255-F345 HydrophobicContact CE2-CZ 4.12Å; F255-F345 HydrophobicContact CG-CZ 4.34Å; M288-F345 HydrophobicContact CE-CD2 4.5Å; M288-F345 HydrophobicContact CE-CE2 4.5Å; M288-F345 HydrophobicContact CG-CD2 4.29Å; M288-F345 HydrophobicContact CG-CE2 4.43Å; M288-F345 HydrophobicContact CG-CG 4.47Å; M288-F345 HydrophobicContact SD-CD2 4.15Å; M288-F345 HydrophobicContact SD-CE2 3.83Å; M288-F345 HydrophobicContact SD-CZ 4.29Å; I292-F345 HydrophobicContact CD1-CE1 4.07Å; I292-F345 HydrophobicContact CG1-CD1 4.44Å; I292-F345 HydrophobicContact CG1-CE1 4.41Å; F345-E347 PolarHBondContact O-N 3.31Å; F345-E347 VanDerWaalsContact O-N 3.17Å; F345-L348 WeakPolarHBondContact O-CB 3.35Å; F345-L348 PolarHBondContact O-N 3.4Å; F345-L348 VanDerWaalsContact O-N 3.07Å
346	S	85.6	Confident	90.2	Very high	109 Å²	109	54.5 Å²	54.5	76%	0.762	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65	-19.3	179	-47.8	0	0	0	0	114.1	R344	R344-S346 PolarHBondContact O-N 3.4Å
347	E	88.2	Confident	90.2	Very high	63 Å²	63	55.3 Å²	55.3	29%	0.294	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-98.2	5.7	178.8	-63.9	176.8	-156.6	0	0	112.2	R344 F345 T349 K352	R344-E347 HydrophobicContact CB-CG 4.41Å; R344-E347 IonicContact CZ-OE1 3.31Å; R344-E347 VanDerWaalsContact CZ-OE1 3.23Å; R344-E347 IonicContact NE-OE1 3.71Å; R344-E347 PolarHBondContact NE-OE1 2.89Å; R344-E347 IonicContact NH2-OE1 3.08Å; R344-E347 PolarHBondContact NH2-OE1 3.24Å; R344-E347 PolarHBondContact O-N 3.24Å; F345-E347 PolarHBondContact O-N 3.31Å; F345-E347 VanDerWaalsContact O-N 3.17Å; E347-T349 PolarHBondContact O-N 3.26Å; E347-K352 WeakPolarHBondContact O-CD 3.41Å; E347-K352 WeakPolarHBondContact O-CE 3.29Å; E347-K352 PolarHBondContact O-NZ 3.43Å
348	L	89.8	Confident	90.2	Very high	16 Å²	16	56.4 Å²	56.4	8%	0.084	31%	0.309	C	S	.	.			trans	-71.4	120	179.5	-170.6	64.3	0	0	0	109.7	A249 L251 I292 T295 V342 F345 L353	A249-L348 HydrophobicContact CB-CD1 4.22Å; L251-L348 HydrophobicContact CD2-CD1 4.3Å; I292-L348 HydrophobicContact CB-CD2 4.2Å; I292-L348 HydrophobicContact CG1-CD2 3.82Å; T295-L348 HydrophobicContact CG2-CB 4.29Å; T295-L348 HydrophobicContact CG2-CD2 4.01Å; T295-L348 HydrophobicContact CG2-CG 3.72Å; V342-L348 HydrophobicContact CB-CD1 4.38Å; V342-L348 HydrophobicContact CG1-CB 4.4Å; V342-L348 HydrophobicContact CG1-CD1 4.25Å; V342-L348 HydrophobicContact CG2-CD1 3.93Å; F345-L348 WeakPolarHBondContact O-CB 3.35Å; F345-L348 PolarHBondContact O-N 3.4Å; F345-L348 VanDerWaalsContact O-N 3.07Å; L348-L353 HydrophobicContact CD1-CD2 4.15Å
349	T	91.1	Very high	90.4	Very high	60 Å²	60	54 Å²	54	37%	0.368	28%	0.284	S	S	.	.			trans	-133.9	152.3	179.8	58.2	0	0	0	0	109.6	E347 E351 K352	E347-T349 PolarHBondContact O-N 3.26Å; T349-E351 PolarHBondContact O-N 3.22Å; T349-E351 VanDerWaalsContact O-N 3.17Å; T349-K352 PolarHBondContact O-N 2.94Å; T349-K352 WeakPolarHBondContact OG1-CD 3.16Å; T349-K352 WeakPolarHBondContact OG1-CG 3.5Å
350	A	90.7	Very high	90.4	Very high	66 Å²	66	56.3 Å²	56.3	55%	0.545	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-58.4	-30.9	-178.8	0	0	0	0	0	113.4	K352 L353	A350-K352 VanDerWaalsContact C-N 3.27Å; A350-K352 PolarHBondContact O-N 2.84Å; A350-L353 PolarHBondContact O-N 3.39Å
351	E	89.8	Confident	90.2	Very high	185 Å²	185	49.2 Å²	49.2	86%	0.864	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-67.2	-23.3	176.5	-62.7	-179.5	177	0	0	114.1	T349	T349-E351 PolarHBondContact O-N 3.22Å; T349-E351 VanDerWaalsContact O-N 3.17Å
352	K	90.8	Very high	89.7	Confident	48 Å²	48	47.8 Å²	47.8	21%	0.209	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-87.9	-8.5	-179	-68	177.5	-172.6	177.6	0	112.5	R340 V342 E347 T349 A350	R340-K352 HydrophobicContact CB-CB 4.13Å; R340-K352 HydrophobicContact CB-CG 4.14Å; R340-K352 PolarHBondContact N-O 3.32Å; V342-K352 HydrophobicContact CG2-CB 4.07Å; V342-K352 HydrophobicContact CG2-CD 4.09Å; E347-K352 WeakPolarHBondContact O-CD 3.41Å; E347-K352 WeakPolarHBondContact O-CE 3.29Å; E347-K352 PolarHBondContact O-NZ 3.43Å; T349-K352 PolarHBondContact O-N 2.94Å; T349-K352 WeakPolarHBondContact OG1-CD 3.16Å; T349-K352 WeakPolarHBondContact OG1-CG 3.5Å; A350-K352 VanDerWaalsContact C-N 3.27Å; A350-K352 PolarHBondContact O-N 2.84Å
353	L	92.3	Very high	89	Confident	19 Å²	19	51.3 Å²	51.3	10%	0.099	28%	0.282	C	S	.	.			trans	-71.2	137	-178.4	-60.7	179.2	0	0	0	111.1	K247 M248 A249 T295 A297 L348 A350	K247-L353 HydrophobicContact CB-CD1 4.28Å; M248-L353 WeakPolarHBondContact O-CA 3.43Å; A249-L353 HydrophobicContact CB-CD2 3.92Å; T295-L353 WeakPolarHBondContact O-CD1 3.4Å; A297-L353 HydrophobicContact CB-CD1 3.96Å; A297-L353 HydrophobicContact CB-CD2 3.83Å; L348-L353 HydrophobicContact CD1-CD2 4.15Å; A350-L353 PolarHBondContact O-N 3.39Å
354	G	91.4	Very high	88	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	150.9	169	0	0	0	0	0	110.9	K247 M248 T337	K247-G354 CarbonylContact C-O 3.6Å; K247-G354 VanDerWaalsContact CA-O 3.3Å; K247-G354 WeakPolarHBondContact CA-O 3.38Å; M248-G354 PolarHBondContact N-O 2.74Å; M248-G354 PolarHBondContact O-N 3.31Å; T337-G354 WeakPolarHBondContact OG1-CA 3.38Å
355	S	91.1	Very high	86.9	Confident	21 Å²	21	45.2 Å²	45.2	15%	0.147	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.8	177.1	179.2	0	0	0	0	110.6	T337 K378	T337-S355 PolarHBondContact O-N 3.14Å; T337-S355 VanDerWaalsContact O-N 3.09Å; S355-K378 VanDerWaalsContact OG-CE 3.32Å; S355-K378 WeakPolarHBondContact OG-CE 3.34Å
356	A	90.3	Very high	85.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.9	175.7	0	0	0	0	0	110.6	T246 M248 T337 V359 I374	T246-A356 PolarHBondContact N-O 3.11Å; T246-A356 PolarHBondContact O-N 3.25Å; M248-A356 HydrophobicContact CE-CB 3.5Å; M248-A356 VanDerWaalsContact CE-CB 3.5Å; T337-A356 HydrophobicContact CG2-CB 4.31Å; A356-V359 HydrophobicContact CB-CG2 4.43Å; A356-I374 HydrophobicContact CB-CG2 3.61Å
357	G	88.4	Confident	84.4	Confident	18 Å²	18	49.4 Å²	49.4	19%	0.186	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-42.2	179.6	0	0	0	0	0	112.5	K244 D245 E375 E376	K244-G357 CarbonylContact C-O 3.49Å; K244-G357 WeakPolarHBondContact CA-O 3.45Å; D245-G357 PolarHBondContact N-O 3.08Å; G357-E375 PolarHBondContact N-O 3.05Å; G357-E376 PolarHBondContact N-O 3.3Å
358	V	91.1	Very high	83.4	Confident	25 Å²	25	55.5 Å²	55.5	15%	0.152	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.8	-177.9	-179.3	0	0	0	0	111.2	L242 L243 K360 E375	L242-V358 HydrophobicContact CD1-CG1 3.78Å; L243-V358 WeakPolarHBondContact O-CA 3.21Å; V358-K360 HydrophobicContact CG1-CB 4.29Å; V358-K360 HydrophobicContact CG1-CD 4.31Å; V358-E375 PolarHBondContact N-O 2.93Å; V358-E375 PolarHBondContact O-N 2.95Å
359	V	92	Very high	82.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.4	166	-178.4	0	0	0	0	107.8	F234 L243 T246 M248 L299 A356 L372 V373 I374	F234-V359 HydrophobicContact CZ-CG1 4.29Å; L243-V359 HydrophobicContact CB-CB 4.28Å; L243-V359 PolarHBondContact N-O 3.26Å; L243-V359 PolarHBondContact O-N 3.49Å; T246-V359 HydrophobicContact CG2-CG2 4.11Å; M248-V359 HydrophobicContact CE-CG2 3.99Å; L299-V359 HydrophobicContact CD2-CG1 4.07Å; L299-V359 HydrophobicContact CD2-CG2 4.12Å; A356-V359 HydrophobicContact CB-CG2 4.43Å; V359-L372 HydrophobicContact CG1-CD1 3.83Å; V359-L372 HydrophobicContact CG1-CD2 3.6Å; V359-L372 HydrophobicContact CG1-CG 3.79Å; V359-V373 WeakPolarHBondContact CA-O 3.42Å; V359-I374 HydrophobicContact CG1-CG1 4.33Å; V359-I374 HydrophobicContact CG2-CG1 4.28Å; V359-I374 HydrophobicContact CG2-CG2 4.21Å
360	K	90.9	Very high	82.3	Confident	57 Å²	57	59 Å²	59	25%	0.248	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.7	-176.7	69.6	-168.6	-175.4	-154	0	111.5	K241 L242 V358 I362 V373 E375	K241-K360 WeakPolarHBondContact O-CA 3.26Å; L242-K360 HydrophobicContact CD1-CB 3.59Å; V358-K360 HydrophobicContact CG1-CB 4.29Å; V358-K360 HydrophobicContact CG1-CD 4.31Å; K360-I362 HydrophobicContact CD-CD1 4.32Å; K360-I362 HydrophobicContact CD-CG1 4.29Å; K360-I362 VanDerWaalsContact CE-CD1 3.41Å; K360-I362 HydrophobicContact CG-CD1 4.27Å; K360-I362 HydrophobicContact CG-CG1 3.89Å; K360-V373 HydrophobicContact CG-CB 4.24Å; K360-V373 PolarHBondContact N-O 3.37Å; K360-V373 PolarHBondContact O-N 3.26Å; K360-E375 WeakPolarHBondContact CE-OE1 3.25Å; K360-E375 IonicContact NZ-OE1 3.53Å; K360-E375 PolarHBondContact NZ-OE1 3.43Å; K360-E375 IonicContact NZ-OE2 3.6Å; K360-E375 PolarHBondContact NZ-OE2 3.01Å
361	E	88.8	Confident	82.2	Confident	26 Å²	26	55.9 Å²	55.9	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116	167.8	-175.2	-177.2	-132.9	0	0	108.6	E233 F234 K241 R370 M371	E233-E361 WeakPolarHBondContact CB-OE1 3.35Å; F234-E361 HydrophobicContact CD2-CB 4Å; F234-E361 HydrophobicContact CE2-CB 3.85Å; K241-E361 HydrophobicContact CB-CB 4.28Å; K241-E361 PolarHBondContact O-N 3.17Å; E361-R370 HydrophobicContact CG-CB 3.83Å; E361-R370 HydrophobicContact CG-CG 4.42Å; E361-R370 WeakPolarHBondContact OE1-CD 3.35Å; E361-R370 IonicContact OE1-NH1 3.08Å; E361-R370 WeakPolarHBondContact OE2-CD 3.49Å; E361-R370 IonicContact OE2-CZ 2.74Å; E361-R370 IonicContact OE2-NH1 3.54Å; E361-R370 PolarHBondContact OE2-NH1 3.25Å; E361-M371 CarbonylContact C-O 3.5Å; E361-M371 WeakPolarHBondContact CA-O 3.31Å
362	I	83.9	Confident	82.2	Confident	41 Å²	41	47.1 Å²	47.1	21%	0.21	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.3	176.3	-48.2	-179.1	0	0	0	108.4	K360 F364 R370 M371 V373	K360-I362 HydrophobicContact CD-CD1 4.32Å; K360-I362 HydrophobicContact CD-CG1 4.29Å; K360-I362 VanDerWaalsContact CE-CD1 3.41Å; K360-I362 HydrophobicContact CG-CD1 4.27Å; K360-I362 HydrophobicContact CG-CG1 3.89Å; I362-F364 HydrophobicContact CB-CD2 4.36Å; I362-F364 HydrophobicContact CB-CE1 4.21Å; I362-F364 HydrophobicContact CB-CE2 3.72Å; I362-F364 HydrophobicContact CB-CZ 3.65Å; I362-F364 HydrophobicContact CD1-CZ 3.93Å; I362-F364 HydrophobicContact CG1-CZ 4.38Å; I362-F364 HydrophobicContact CG2-CD1 3.89Å; I362-F364 HydrophobicContact CG2-CD2 4.22Å; I362-F364 HydrophobicContact CG2-CE1 3.45Å; I362-F364 VanDerWaalsContact CG2-CE1 3.45Å; I362-F364 HydrophobicContact CG2-CE2 3.82Å; I362-F364 HydrophobicContact CG2-CG 4.26Å; I362-F364 HydrophobicContact CG2-CZ 3.43Å; I362-F364 VanDerWaalsContact CG2-CZ 3.43Å; I362-R370 WeakPolarHBondContact O-CA 3.44Å; I362-M371 PolarHBondContact N-O 3.44Å; I362-M371 PolarHBondContact O-N 2.87Å; I362-V373 HydrophobicContact CD1-CB 4.05Å; I362-V373 HydrophobicContact CD1-CG2 3.42Å; I362-V373 VanDerWaalsContact CD1-CG2 3.42Å; I362-V373 HydrophobicContact CG1-CB 4.42Å; I362-V373 HydrophobicContact CG1-CG2 3.84Å
363	C	78.7	Confident	82.3	Confident	75 Å²	75	44.8 Å²	44.8	51%	0.507	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.4	168.5	-166.9	0	0	0	0	108.1	R370	C363-R370 HydrophobicContact CB-CG 4.39Å
364	F	70.8	Confident	82.2	Confident	34 Å²	34	44 Å²	44	15%	0.149	25%	0.25	C	C	.	.			trans	-114.7	119.7	-177.4	-66.3	-74.8	0	0	0	112	I362 D369 M371 F386	I362-F364 HydrophobicContact CB-CD2 4.36Å; I362-F364 HydrophobicContact CB-CE1 4.21Å; I362-F364 HydrophobicContact CB-CE2 3.72Å; I362-F364 HydrophobicContact CB-CZ 3.65Å; I362-F364 HydrophobicContact CD1-CZ 3.93Å; I362-F364 HydrophobicContact CG1-CZ 4.38Å; I362-F364 HydrophobicContact CG2-CD1 3.89Å; I362-F364 HydrophobicContact CG2-CD2 4.22Å; I362-F364 HydrophobicContact CG2-CE1 3.45Å; I362-F364 VanDerWaalsContact CG2-CE1 3.45Å; I362-F364 HydrophobicContact CG2-CE2 3.82Å; I362-F364 HydrophobicContact CG2-CG 4.26Å; I362-F364 HydrophobicContact CG2-CZ 3.43Å; I362-F364 VanDerWaalsContact CG2-CZ 3.43Å; F364-D369 PolarHBondContact N-O 3.06Å; F364-M371 HydrophobicContact CD2-CE 4.11Å; F364-M371 HydrophobicContact CD2-SD 4.06Å; F364-M371 HydrophobicContact CE2-CB 4.08Å; F364-M371 HydrophobicContact CE2-SD 3.95Å; F364-F386 HydrophobicContact CD1-CE1 4.02Å; F364-F386 HydrophobicContact CD1-CZ 4.44Å; F364-F386 HydrophobicContact CD2-CE1 4.27Å; F364-F386 AromaticContact CD2-CZ 3.94Å; F364-F386 HydrophobicContact CD2-CZ 3.94Å; F364-F386 HydrophobicContact CE1-CD1 4.39Å; F364-F386 AromaticContact CE1-CE1 3.52Å; F364-F386 HydrophobicContact CE1-CE1 3.52Å; F364-F386 HydrophobicContact CE1-CZ 4.18Å; F364-F386 AromaticContact CE2-CE1 3.78Å; F364-F386 HydrophobicContact CE2-CE1 3.78Å; F364-F386 AromaticContact CE2-CZ 3.63Å; F364-F386 HydrophobicContact CE2-CZ 3.63Å; F364-F386 HydrophobicContact CG-CE1 4.36Å; F364-F386 HydrophobicContact CG-CZ 4.32Å; F364-F386 HydrophobicContact CZ-CD1 4.18Å; F364-F386 AromaticContact CZ-CE1 3.37Å; F364-F386 HydrophobicContact CZ-CE1 3.37Å; F364-F386 AromaticContact CZ-CZ 3.76Å; F364-F386 HydrophobicContact CZ-CZ 3.76Å
365	G	64.6	Low	82.1	Confident	63 Å²	63	46.2 Å²	46.2	65%	0.649	26%	0.26	S	S	*	.	S	Bend	trans	73.9	-156.3	173.5	0	0	0	0	0	114.5
366	T	58.3	Low	81.8	Confident	153 Å²	153	51.7 Å²	51.7	94%	0.939	28%	0.284	S	S	*	.	S	Bend	trans	-90.3	-18.6	177.1	36.8	0	0	0	0	113.5
367	T	60.7	Low	81.4	Confident	66 Å²	66	52.1 Å²	52.1	41%	0.405	29%	0.286	S	S	.	.	S	Bend	trans	-68.4	136.2	167.4	29.2	0	0	0	0	108.7	D369	T367-D369 PolarHBondContact O-N 3.42Å
368	K	66	Low	80.7	Confident	191 Å²	191	59.3 Å²	59.3	83%	0.83	31%	0.312	S	S	*	.			trans	-71.4	14.4	-177	-69	-179.1	179.4	176.1	0	113.4
369	D	74.4	Confident	80	Confident	75 Å²	75	61 Å²	61	40%	0.401	32%	0.321	S	S	.	.			trans	-76.7	128.6	-174.4	-62.1	-16.6	0	0	0	109.4	F364 T367	F364-D369 PolarHBondContact N-O 3.06Å; T367-D369 PolarHBondContact O-N 3.42Å
370	R	82.8	Confident	79	Confident	74 Å²	74	63.9 Å²	63.9	28%	0.279	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.5	-179.2	-56.8	-171.9	-170	173.7	15.9	109.3	E233 E361 I362 C363	E233-R370 HydrophobicContact CB-CB 4.49Å; E361-R370 HydrophobicContact CG-CB 3.83Å; E361-R370 HydrophobicContact CG-CG 4.42Å; E361-R370 WeakPolarHBondContact OE1-CD 3.35Å; E361-R370 IonicContact OE1-NH1 3.08Å; E361-R370 WeakPolarHBondContact OE2-CD 3.49Å; E361-R370 IonicContact OE2-CZ 2.74Å; E361-R370 IonicContact OE2-NH1 3.54Å; E361-R370 PolarHBondContact OE2-NH1 3.25Å; I362-R370 WeakPolarHBondContact O-CA 3.44Å; C363-R370 HydrophobicContact CB-CG 4.39Å
371	M	88.3	Confident	78.5	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.4	172.9	-75.7	153.5	-128.3	0	0	109.5	K214 I229 E361 I362 F364 F386	K214-M371 HydrophobicContact CB-CE 3.77Å; K214-M371 HydrophobicContact CB-SD 4.4Å; K214-M371 HydrophobicContact CD-CE 3.28Å; K214-M371 HydrophobicContact CD-SD 4.3Å; K214-M371 HydrophobicContact CG-CE 3.24Å; K214-M371 HydrophobicContact CG-SD 3.73Å; I229-M371 HydrophobicContact CG2-CB 4.06Å; I229-M371 HydrophobicContact CG2-CG 4.36Å; I229-M371 HydrophobicContact CG2-SD 4.33Å; E361-M371 CarbonylContact C-O 3.5Å; E361-M371 WeakPolarHBondContact CA-O 3.31Å; I362-M371 PolarHBondContact N-O 3.44Å; I362-M371 PolarHBondContact O-N 2.87Å; F364-M371 HydrophobicContact CD2-CE 4.11Å; F364-M371 HydrophobicContact CD2-SD 4.06Å; F364-M371 HydrophobicContact CE2-CB 4.08Å; F364-M371 HydrophobicContact CE2-SD 3.95Å; M371-F386 HydrophobicContact CE-CZ 4.45Å; M371-F386 HydrophobicContact SD-CE2 3.55Å; M371-F386 VanDerWaalsContact SD-CE2 3.55Å; M371-F386 HydrophobicContact SD-CZ 3.75Å
372	L	90.9	Very high	78.3	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.2	171.7	-163.6	107.8	0	0	0	109.3	I229 I230 K232 F234 I322 V359 I374	I229-L372 WeakPolarHBondContact CA-O 3.26Å; I230-L372 HydrophobicContact CD1-CD2 4.16Å; I230-L372 PolarHBondContact N-O 3.18Å; I230-L372 PolarHBondContact O-N 2.55Å; I230-L372 VanDerWaalsContact O-N 3.07Å; K232-L372 PolarHBondContact O-N 2.84Å; F234-L372 HydrophobicContact CD1-CD1 4.16Å; F234-L372 HydrophobicContact CD2-CD1 4.1Å; F234-L372 HydrophobicContact CE1-CD1 3.63Å; F234-L372 HydrophobicContact CE2-CD1 3.56Å; F234-L372 HydrophobicContact CG-CD1 4.38Å; F234-L372 HydrophobicContact CZ-CD1 3.32Å; I322-L372 HydrophobicContact CD1-CD1 3.9Å; I322-L372 HydrophobicContact CD1-CD2 3.33Å; I322-L372 HydrophobicContact CD1-CG 4.13Å; V359-L372 HydrophobicContact CG1-CD1 3.83Å; V359-L372 HydrophobicContact CG1-CD2 3.6Å; V359-L372 HydrophobicContact CG1-CG 3.79Å; L372-I374 HydrophobicContact CD2-CD1 4.04Å; L372-I374 HydrophobicContact CD2-CG1 3.73Å
373	V	91.8	Very high	78.7	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126	176.1	-172.4	0	0	0	0	108.8	I225 I229 V359 K360 I362 E375	I225-V373 HydrophobicContact CD1-CG1 3.61Å; I225-V373 HydrophobicContact CD1-CG2 4.19Å; I225-V373 HydrophobicContact CG2-CG1 3.53Å; I229-V373 HydrophobicContact CG1-CG1 4.4Å; I229-V373 HydrophobicContact CG1-CG2 4.32Å; I229-V373 HydrophobicContact CG2-CG2 4.47Å; V359-V373 WeakPolarHBondContact CA-O 3.42Å; K360-V373 HydrophobicContact CG-CB 4.24Å; K360-V373 PolarHBondContact N-O 3.37Å; K360-V373 PolarHBondContact O-N 3.26Å; I362-V373 HydrophobicContact CD1-CB 4.05Å; I362-V373 HydrophobicContact CD1-CG2 3.42Å; I362-V373 VanDerWaalsContact CD1-CG2 3.42Å; I362-V373 HydrophobicContact CG1-CB 4.42Å; I362-V373 HydrophobicContact CG1-CG2 3.84Å; V373-E375 HydrophobicContact CG1-CG 3.76Å
374	I	91.4	Very high	79.3	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.5	175.9	-53.7	177.3	0	0	0	107.4	G227 V228 I230 M248 I301 I333 T337 A356 V359 L372	G227-I374 WeakPolarHBondContact CA-O 3.35Å; V228-I374 PolarHBondContact N-O 3.05Å; V228-I374 PolarHBondContact O-N 3.43Å; I230-I374 HydrophobicContact CD1-CD1 4.14Å; M248-I374 HydrophobicContact CE-CD1 4.41Å; M248-I374 HydrophobicContact CE-CG2 3.92Å; M248-I374 HydrophobicContact SD-CD1 4.4Å; I301-I374 HydrophobicContact CD1-CD1 4.29Å; I333-I374 HydrophobicContact CG1-CD1 4.26Å; I333-I374 HydrophobicContact CG2-CD1 4.23Å; T337-I374 HydrophobicContact CG2-CG2 4.32Å; A356-I374 HydrophobicContact CB-CG2 3.61Å; V359-I374 HydrophobicContact CG1-CG1 4.33Å; V359-I374 HydrophobicContact CG2-CG1 4.28Å; V359-I374 HydrophobicContact CG2-CG2 4.21Å; L372-I374 HydrophobicContact CD2-CD1 4.04Å; L372-I374 HydrophobicContact CD2-CG1 3.73Å
375	E	88.7	Confident	80.4	Confident	47 Å²	47	57.8 Å²	57.8	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	166.2	-177.3	-67.2	174.7	173.7	0	0	111.3	I225 G357 V358 K360 V373 C377	I225-E375 HydrophobicContact CG2-CG 3.99Å; G357-E375 PolarHBondContact N-O 3.05Å; V358-E375 PolarHBondContact N-O 2.93Å; V358-E375 PolarHBondContact O-N 2.95Å; K360-E375 WeakPolarHBondContact CE-OE1 3.25Å; K360-E375 IonicContact NZ-OE1 3.53Å; K360-E375 PolarHBondContact NZ-OE1 3.43Å; K360-E375 IonicContact NZ-OE2 3.6Å; K360-E375 PolarHBondContact NZ-OE2 3.01Å; V373-E375 HydrophobicContact CG1-CG 3.76Å; E375-C377 PolarHBondContact O-N 3.22Å
376	E	85	Confident	81.7	Confident	137 Å²	137	54.9 Å²	54.9	64%	0.64	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.9	46.3	176.1	-60.3	-179.7	173.9	0	0	112.6	G357	G357-E376 PolarHBondContact N-O 3.3Å
377	C	82	Confident	83.4	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	149	176.7	-55.7	0	0	0	0	111.2	A336 E375 N379	A336-C377 HydrophobicContact CB-CB 4.35Å; A336-C377 WeakPolarHBondContact O-CB 3.44Å; E375-C377 PolarHBondContact O-N 3.22Å; C377-N379 PolarHBondContact O-N 3.34Å
378	K	74.4	Confident	84.7	Confident	169 Å²	169	45 Å²	45	74%	0.735	21%	0.209	S	C	*	.	S	Bend	trans	-55.6	-35.6	178	-75.4	-175.7	176.7	172.7	0	113.1	S355	S355-K378 VanDerWaalsContact OG-CE 3.32Å; S355-K378 WeakPolarHBondContact OG-CE 3.34Å
379	N	76.8	Confident	85.7	Confident	62 Å²	62	36 Å²	36	33%	0.332	17%	0.169	S	C	.	.			trans	-112.8	97.6	-179.9	-166.8	26.2	0	0	0	109	I335 A336 C377 R381	I335-N379 PolarHBondContact O-ND2 3.45Å; A336-N379 WeakPolarHBondContact O-CB 3.46Å; A336-N379 PolarHBondContact O-N 2.67Å; C377-N379 PolarHBondContact O-N 3.34Å; N379-R381 PolarHBondContact O-N 3.38Å; N379-R381 WeakPolarHBondContact OD1-CG 3.39Å
380	S	69.8	Low	86.3	Confident	59 Å²	59	35.4 Å²	35.4	41%	0.413	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	8.3	-176.9	-49.9	0	0	0	0	114.1	T195 A382	T195-S380 WeakPolarHBondContact CG2-O 3.35Å; S380-A382 PolarHBondContact O-N 3.27Å
381	R	80.2	Confident	86.5	Confident	104 Å²	104	36 Å²	36	39%	0.392	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.1	-175.2	-68.1	-171.1	72	-178.5	4.3	114.5	V196 L208 N379	V196-R381 VanDerWaalsContact CG2-O 3.26Å; V196-R381 WeakPolarHBondContact CG2-O 3.25Å; L208-R381 WeakPolarHBondContact CB-O 3.32Å; N379-R381 PolarHBondContact O-N 3.38Å; N379-R381 WeakPolarHBondContact OD1-CG 3.39Å
382	A	85.8	Confident	86.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.			trans	-103.1	127	173.2	0	0	0	0	0	109.4	L208 G227 L332 A336 S380	L208-A382 WeakPolarHBondContact O-CA 3.27Å; G227-A382 PolarHBondContact N-O 2.61Å; L332-A382 HydrophobicContact CD2-CB 4.23Å; A336-A382 HydrophobicContact CB-CB 3.83Å; S380-A382 PolarHBondContact O-N 3.27Å
383	V	90.9	Very high	86.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140	-172.4	-172.4	0	0	0	0	109	A192 T195 V196 L208 I209 K210 L224 I225 G227	A192-V383 HydrophobicContact CB-CG1 4.44Å; T195-V383 HydrophobicContact CG2-CG2 3.58Å; V196-V383 HydrophobicContact CG2-CB 4.31Å; V196-V383 HydrophobicContact CG2-CG2 3.78Å; L208-V383 PolarHBondContact O-N 3.39Å; I209-V383 CarbonylContact C-O 3.58Å; I209-V383 WeakPolarHBondContact CA-O 3.46Å; K210-V383 PolarHBondContact N-O 3.43Å; L224-V383 HydrophobicContact CD1-CG1 3.31Å; L224-V383 HydrophobicContact CG-CG1 3.94Å; I225-V383 WeakPolarHBondContact O-CG1 3.11Å; G227-V383 CarbonylContact O-C 3.49Å
384	T	91.9	Very high	86.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.7	175.6	-52.6	0	0	0	0	110.2	K210 E212 I225 G227 V228 I229	K210-T384 HydrophobicContact CB-CG2 4.06Å; K210-T384 HydrophobicContact CD-CG2 4.37Å; K210-T384 HydrophobicContact CG-CG2 4.21Å; K210-T384 CarbonylContact O-C 3.56Å; K210-T384 WeakPolarHBondContact O-CA 3.46Å; K210-T384 WeakPolarHBondContact O-CG2 3.36Å; E212-T384 HydrophobicContact CB-CG2 4.03Å; I225-T384 PolarHBondContact N-O 3.04Å; I225-T384 PolarHBondContact O-N 2.81Å; G227-T384 PolarHBondContact O-N 3.37Å; G227-T384 PolarHBondContact O-OG1 3.45Å; V228-T384 WeakPolarHBondContact CA-OG1 3.39Å; I229-T384 HydrophobicContact CB-CG2 3.98Å; I229-T384 HydrophobicContact CD1-CG2 3.6Å; I229-T384 HydrophobicContact CG1-CG2 3.78Å; I229-T384 PolarHBondContact N-OG1 3.08Å
385	I	93.8	Very high	86.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115	169.5	-54.5	174.9	0	0	0	107.3	I188 A192 I209 K210 M211 E212 T222 L224 I387 L402 L406	I188-I385 HydrophobicContact CG2-CD1 4.46Å; I188-I385 HydrophobicContact CG2-CG1 4.31Å; I188-I385 HydrophobicContact CG2-CG2 3.75Å; A192-I385 HydrophobicContact CB-CD1 3.92Å; A192-I385 HydrophobicContact CB-CG1 4.17Å; I209-I385 HydrophobicContact CG2-CD1 4.1Å; I209-I385 HydrophobicContact CG2-CG1 4.36Å; K210-I385 PolarHBondContact O-N 3.24Å; M211-I385 HydrophobicContact CG-CB 4.47Å; E212-I385 PolarHBondContact N-O 3.35Å; T222-I385 HydrophobicContact CG2-CG2 4.44Å; L224-I385 HydrophobicContact CD1-CG1 3.86Å; I385-I387 HydrophobicContact CG2-CG1 4.09Å; I385-L402 HydrophobicContact CG2-CD1 4.02Å; I385-L406 HydrophobicContact CD1-CD1 3.92Å; I385-L406 HydrophobicContact CD1-CD2 4.07Å; I385-L406 HydrophobicContact CD1-CG 4.44Å
386	F	92.7	Very high	86	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.9	-177.8	-174.4	-123.3	0	0	0	111.3	E212 K214 T222 Q223 I225 I229 F364 M371 R388	E212-F386 HydrophobicContact CB-CD2 4.41Å; E212-F386 HydrophobicContact CG-CD2 4.47Å; E212-F386 CarbonylContact O-C 3.54Å; E212-F386 WeakPolarHBondContact O-CA 3.4Å; K214-F386 HydrophobicContact CB-CE2 3.95Å; K214-F386 HydrophobicContact CB-CZ 4.1Å; K214-F386 HydrophobicContact CG-CE2 4.09Å; T222-F386 VanDerWaalsContact CA-O 3.26Å; T222-F386 WeakPolarHBondContact CA-O 3.25Å; T222-F386 VanDerWaalsContact CG2-O 3.32Å; T222-F386 WeakPolarHBondContact CG2-O 3.44Å; Q223-F386 PolarHBondContact N-O 3.21Å; Q223-F386 PolarHBondContact O-N 2.83Å; I225-F386 HydrophobicContact CD1-CB 4.43Å; I225-F386 HydrophobicContact CG1-CB 4.4Å; I229-F386 HydrophobicContact CD1-CB 3.47Å; I229-F386 VanDerWaalsContact CD1-CB 3.47Å; I229-F386 HydrophobicContact CD1-CD2 3.71Å; I229-F386 HydrophobicContact CD1-CG 3.73Å; F364-F386 HydrophobicContact CD1-CE1 4.02Å; F364-F386 HydrophobicContact CD1-CZ 4.44Å; F364-F386 HydrophobicContact CD2-CE1 4.27Å; F364-F386 AromaticContact CD2-CZ 3.94Å; F364-F386 HydrophobicContact CD2-CZ 3.94Å; F364-F386 HydrophobicContact CE1-CD1 4.39Å; F364-F386 AromaticContact CE1-CE1 3.52Å; F364-F386 HydrophobicContact CE1-CE1 3.52Å; F364-F386 HydrophobicContact CE1-CZ 4.18Å; F364-F386 AromaticContact CE2-CE1 3.78Å; F364-F386 HydrophobicContact CE2-CE1 3.78Å; F364-F386 AromaticContact CE2-CZ 3.63Å; F364-F386 HydrophobicContact CE2-CZ 3.63Å; F364-F386 HydrophobicContact CG-CE1 4.36Å; F364-F386 HydrophobicContact CG-CZ 4.32Å; F364-F386 HydrophobicContact CZ-CD1 4.18Å; F364-F386 AromaticContact CZ-CE1 3.37Å; F364-F386 HydrophobicContact CZ-CE1 3.37Å; F364-F386 AromaticContact CZ-CZ 3.76Å; F364-F386 HydrophobicContact CZ-CZ 3.76Å; M371-F386 HydrophobicContact CE-CZ 4.45Å; M371-F386 HydrophobicContact SD-CE2 3.55Å; M371-F386 VanDerWaalsContact SD-CE2 3.55Å; M371-F386 HydrophobicContact SD-CZ 3.75Å; F386-R388 HydrophobicContact CD1-CG 4.31Å; F386-R388 VanDerWaalsContact CE1-CD 3.42Å; F386-R388 HydrophobicContact CE1-CG 3.98Å
387	I	92.1	Very high	86.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.5	-173.3	-56	160.2	0	0	0	109.8	E212 G213 K214 L219 T222 I385 A398 K399 L402	E212-I387 PolarHBondContact O-N 3.39Å; G213-I387 WeakPolarHBondContact CA-O 3.4Å; K214-I387 PolarHBondContact N-O 3.26Å; L219-I387 HydrophobicContact CD1-CG2 4.48Å; T222-I387 HydrophobicContact CG2-CB 4.44Å; T222-I387 HydrophobicContact CG2-CG1 4.09Å; I385-I387 HydrophobicContact CG2-CG1 4.09Å; I387-A398 HydrophobicContact CG2-CB 3.86Å; I387-K399 HydrophobicContact CD1-CB 4.19Å; I387-K399 HydrophobicContact CD1-CG 3.48Å; I387-K399 VanDerWaalsContact CD1-CG 3.48Å; I387-L402 HydrophobicContact CD1-CD1 3.44Å; I387-L402 VanDerWaalsContact CD1-CD1 3.44Å; I387-L402 HydrophobicContact CG1-CD1 3.63Å
388	R	88.4	Confident	86.5	Confident	12 Å²	12	40.5 Å²	40.5	5%	0.045	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.4	175.4	-64.7	-61.4	-64.1	-160.5	-3.1	110.2	V215 G216 K218 L219 D221 T222 F386	V215-R388 PolarHBondContact O-NH2 2.97Å; G216-R388 PolarHBondContact O-NE 3.1Å; G216-R388 PolarHBondContact O-NH2 3.34Å; K218-R388 VanDerWaalsContact O-CB 3.25Å; K218-R388 WeakPolarHBondContact O-CB 3.49Å; L219-R388 WeakPolarHBondContact CA-O 3.44Å; L219-R388 WeakPolarHBondContact CD1-O 3.29Å; D221-R388 HydrophobicContact CB-CB 4.02Å; D221-R388 HydrophobicContact CB-CG 3.96Å; T222-R388 PolarHBondContact OG1-N 3.19Å; F386-R388 HydrophobicContact CD1-CG 4.31Å; F386-R388 VanDerWaalsContact CE1-CD 3.42Å; F386-R388 HydrophobicContact CE1-CG 3.98Å
389	G	88.1	Confident	87.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	148.7	177.8	0	0	0	0	0	112.4	G216 N391	G216-G389 PolarHBondContact N-O 3.17Å; G389-N391 PolarHBondContact O-N 3.31Å
390	G	86.4	Confident	87.9	Confident	64 Å²	64	34 Å²	34	66%	0.66	18%	0.178	S	C	*	.	S	Bend	trans	-68.5	-23.4	-178.3	0	0	0	0	0	113.8
391	N	87.6	Confident	88.8	Confident	87 Å²	87	31.1 Å²	31.1	47%	0.465	16%	0.158	S	C	.	.	S	Bend	trans	-136	148.1	180	-167	-6.3	0	0	0	110.1	G389 M393 I394 I395	G389-N391 PolarHBondContact O-N 3.31Å; N391-M393 PolarHBondContact O-N 3.07Å; N391-I394 HydrophobicContact CB-CD1 4.25Å; N391-I394 HydrophobicContact CB-CG1 4.37Å; N391-I394 PolarHBondContact O-N 3.36Å; N391-I394 VanDerWaalsContact O-N 3.17Å; N391-I395 PolarHBondContact O-N 3.11Å
392	K	87.8	Confident	89.3	Confident	104 Å²	104	26.2 Å²	26.2	45%	0.452	14%	0.14	S	C	.	.	H	α-helix	trans	-54.5	-41.4	175.9	-170.8	-172	177.4	-159	0	111.3	E67 V215 I394 I395 E396	E67-K392 IonicContact OE1-NZ 3.75Å; E67-K392 PolarHBondContact OE1-NZ 3.38Å; V215-K392 HydrophobicContact CG1-CB 4.26Å; K392-I394 VanDerWaalsContact C-N 3.33Å; K392-I394 PolarHBondContact O-N 2.93Å; K392-I395 WeakPolarHBondContact O-CB 3.48Å; K392-I395 PolarHBondContact O-N 2.78Å; K392-I395 VanDerWaalsContact O-N 3.08Å; K392-E396 HydrophobicContact CG-CG 4.45Å; K392-E396 PolarHBondContact O-N 3.27Å
393	M	86.6	Confident	89.6	Confident	47 Å²	47	29 Å²	29	23%	0.232	15%	0.152	C	C	.	.	H	α-helix	trans	-51.8	-49.4	176.4	-61.2	-67.7	-82.7	0	0	112.9	V68 V70 N391 I395 E397	V68-M393 HydrophobicContact CB-CE 4.06Å; V68-M393 HydrophobicContact CG1-CE 3.65Å; V68-M393 VanDerWaalsContact O-CE 3.31Å; V68-M393 WeakPolarHBondContact O-CE 3.33Å; V70-M393 HydrophobicContact CB-CE 3.87Å; V70-M393 HydrophobicContact CG2-CE 3.52Å; V70-M393 VanDerWaalsContact N-CE 3.25Å; N391-M393 PolarHBondContact O-N 3.07Å; M393-I395 VanDerWaalsContact C-N 3.29Å; M393-I395 PolarHBondContact O-N 2.81Å; M393-E397 WeakPolarHBondContact O-CB 3.38Å; M393-E397 PolarHBondContact O-N 3.47Å
394	I	87.9	Confident	89.5	Confident	65 Å²	65	29.1 Å²	29.1	33%	0.333	15%	0.153	S	C	.	.	H	α-helix	trans	-69	-33.8	-177.9	-61.8	171.5	0	0	0	110.2	L219 N391 K392 A398	L219-I394 HydrophobicContact CD1-CG2 4.44Å; N391-I394 HydrophobicContact CB-CD1 4.25Å; N391-I394 HydrophobicContact CB-CG1 4.37Å; N391-I394 PolarHBondContact O-N 3.36Å; N391-I394 VanDerWaalsContact O-N 3.17Å; K392-I394 VanDerWaalsContact C-N 3.33Å; K392-I394 PolarHBondContact O-N 2.93Å; I394-A398 WeakPolarHBondContact O-CB 3.31Å; I394-A398 PolarHBondContact O-N 3.26Å
395	I	90.3	Very high	89.5	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-69.4	-47.1	179.2	-69.6	169.9	0	0	0	111	K214 V215 N391 K392 M393 E397 A398 K399	K214-I395 VanDerWaalsContact O-CD1 3.29Å; K214-I395 WeakPolarHBondContact O-CD1 3.12Å; V215-I395 HydrophobicContact CB-CD1 4.25Å; V215-I395 HydrophobicContact CG1-CD1 3.76Å; N391-I395 PolarHBondContact O-N 3.11Å; K392-I395 WeakPolarHBondContact O-CB 3.48Å; K392-I395 PolarHBondContact O-N 2.78Å; K392-I395 VanDerWaalsContact O-N 3.08Å; M393-I395 VanDerWaalsContact C-N 3.29Å; M393-I395 PolarHBondContact O-N 2.81Å; I395-E397 VanDerWaalsContact C-N 3.31Å; I395-A398 PolarHBondContact O-N 3.3Å; I395-K399 HydrophobicContact CG2-CD 4.42Å; I395-K399 WeakPolarHBondContact O-CG 3.43Å; I395-K399 PolarHBondContact O-N 2.93Å
396	E	88.5	Confident	89.5	Confident	67 Å²	67	29.1 Å²	29.1	31%	0.313	15%	0.153	S	C	.	.	H	α-helix	trans	-64.9	-39.7	178.4	-64.1	-51.1	128.6	0	0	110.9	K392 A398 K399 R400	K392-E396 HydrophobicContact CG-CG 4.45Å; K392-E396 PolarHBondContact O-N 3.27Å; E396-A398 PolarHBondContact O-N 3.42Å; E396-K399 PolarHBondContact O-N 3.39Å; E396-K399 IonicContact OE1-NZ 2.68Å; E396-K399 PolarHBondContact OE1-NZ 2.88Å; E396-K399 IonicContact OE2-NZ 3.62Å; E396-R400 WeakPolarHBondContact O-CG 3.37Å; E396-R400 PolarHBondContact O-N 3.19Å; E396-R400 VanDerWaalsContact O-N 3.08Å
397	E	86.9	Confident	89.4	Confident	3 Å²	3	29.3 Å²	29.3	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-37.5	173.3	-172.7	58.8	-168.2	0	0	112.5	T71 N72 V177 M393 I395 R400 A401	T71-E397 VanDerWaalsContact CA-OE2 3.31Å; T71-E397 WeakPolarHBondContact CA-OE2 3.33Å; T71-E397 WeakPolarHBondContact CB-OE2 3.08Å; T71-E397 PolarHBondContact OG1-OE1 2.62Å; T71-E397 PolarHBondContact OG1-OE2 3.07Å; N72-E397 PolarHBondContact N-OE1 2.97Å; V177-E397 HydrophobicContact CB-CG 4.1Å; V177-E397 HydrophobicContact CG2-CG 3.7Å; M393-E397 WeakPolarHBondContact O-CB 3.38Å; M393-E397 PolarHBondContact O-N 3.47Å; I395-E397 VanDerWaalsContact C-N 3.31Å; E397-R400 PolarHBondContact O-N 3.16Å; E397-R400 IonicContact OE2-NH1 3.77Å; E397-A401 VanDerWaalsContact O-CB 3.32Å; E397-A401 WeakPolarHBondContact O-CB 3.41Å; E397-A401 PolarHBondContact O-N 3.04Å
398	A	89.8	Confident	89.3	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-36.5	176.7	0	0	0	0	0	112.6	I178 L219 I387 I394 I395 E396 A401 L402	I178-A398 HydrophobicContact CD1-CB 3.98Å; I178-A398 HydrophobicContact CG1-CB 4.26Å; L219-A398 HydrophobicContact CD1-CB 3.87Å; I387-A398 HydrophobicContact CG2-CB 3.86Å; I394-A398 WeakPolarHBondContact O-CB 3.31Å; I394-A398 PolarHBondContact O-N 3.26Å; I395-A398 PolarHBondContact O-N 3.3Å; E396-A398 PolarHBondContact O-N 3.42Å; A398-A401 PolarHBondContact O-N 3.34Å; A398-L402 WeakPolarHBondContact O-CB 3.22Å; A398-L402 WeakPolarHBondContact O-CG 3.36Å; A398-L402 PolarHBondContact O-N 2.93Å
399	K	91.1	Very high	89.4	Confident	39 Å²	39	28.9 Å²	28.9	17%	0.17	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-48	171.9	-78.3	173.7	-176.3	170.5	0	111	G213 I387 I395 E396 L402 H403	G213-K399 VanDerWaalsContact CA-CE 3.49Å; I387-K399 HydrophobicContact CD1-CB 4.19Å; I387-K399 HydrophobicContact CD1-CG 3.48Å; I387-K399 VanDerWaalsContact CD1-CG 3.48Å; I395-K399 HydrophobicContact CG2-CD 4.42Å; I395-K399 WeakPolarHBondContact O-CG 3.43Å; I395-K399 PolarHBondContact O-N 2.93Å; E396-K399 PolarHBondContact O-N 3.39Å; E396-K399 IonicContact OE1-NZ 2.68Å; E396-K399 PolarHBondContact OE1-NZ 2.88Å; E396-K399 IonicContact OE2-NZ 3.62Å; K399-L402 PolarHBondContact O-N 3.42Å; K399-H403 WeakPolarHBondContact O-CB 3.5Å; K399-H403 PolarHBondContact O-N 3.16Å
400	R	88.5	Confident	89.5	Confident	55 Å²	55	30.8 Å²	30.8	21%	0.208	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-49	176.2	-69.3	175.2	-172.7	149	-0.3	111.1	T69 T76 E396 E397 L402 H403 D404	T69-R400 VanDerWaalsContact CG2-NH1 3.3Å; T76-R400 VanDerWaalsContact CG2-CZ 3.46Å; E396-R400 WeakPolarHBondContact O-CG 3.37Å; E396-R400 PolarHBondContact O-N 3.19Å; E396-R400 VanDerWaalsContact O-N 3.08Å; E397-R400 PolarHBondContact O-N 3.16Å; E397-R400 IonicContact OE2-NH1 3.77Å; R400-L402 VanDerWaalsContact C-N 3.28Å; R400-L402 PolarHBondContact O-N 2.8Å; R400-H403 WeakPolarHBondContact O-CA 3.15Å; R400-H403 VanDerWaalsContact O-CB 3.3Å; R400-H403 WeakPolarHBondContact O-CB 3.35Å; R400-H403 PolarHBondContact O-N 2.8Å; R400-D404 PolarHBondContact O-N 3.17Å; R400-D404 VanDerWaalsContact O-N 3.08Å
401	A	89	Confident	89.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.1	-41.9	177.7	0	0	0	0	0	113.3	L173 K176 I178 E397 A398 A405	L173-A401 HydrophobicContact CD2-CB 4.04Å; L173-A401 VanDerWaalsContact CD2-O 3.25Å; L173-A401 WeakPolarHBondContact CD2-O 3.48Å; K176-A401 HydrophobicContact CB-CB 4.14Å; K176-A401 HydrophobicContact CD-CB 3.4Å; K176-A401 HydrophobicContact CG-CB 4.4Å; I178-A401 HydrophobicContact CD1-CB 3.44Å; I178-A401 VanDerWaalsContact CD1-CB 3.44Å; I178-A401 HydrophobicContact CG1-CB 4.03Å; E397-A401 VanDerWaalsContact O-CB 3.32Å; E397-A401 WeakPolarHBondContact O-CB 3.41Å; E397-A401 PolarHBondContact O-N 3.04Å; A398-A401 PolarHBondContact O-N 3.34Å; A401-A405 PolarHBondContact O-N 3.36Å
402	L	91.3	Very high	89.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-37.4	174.1	-80	164.8	0	0	0	112.4	M185 A189 M211 I385 I387 A398 K399 R400 A405 L406	M185-L402 HydrophobicContact CB-CD2 4.07Å; M185-L402 HydrophobicContact SD-CD1 4.1Å; M185-L402 HydrophobicContact SD-CD2 4.28Å; A189-L402 HydrophobicContact CB-CD2 4.26Å; M211-L402 HydrophobicContact SD-CB 4.32Å; I385-L402 HydrophobicContact CG2-CD1 4.02Å; I387-L402 HydrophobicContact CD1-CD1 3.44Å; I387-L402 VanDerWaalsContact CD1-CD1 3.44Å; I387-L402 HydrophobicContact CG1-CD1 3.63Å; A398-L402 WeakPolarHBondContact O-CB 3.22Å; A398-L402 WeakPolarHBondContact O-CG 3.36Å; A398-L402 PolarHBondContact O-N 2.93Å; K399-L402 PolarHBondContact O-N 3.42Å; R400-L402 VanDerWaalsContact C-N 3.28Å; R400-L402 PolarHBondContact O-N 2.8Å; L402-A405 PolarHBondContact O-N 3.01Å; L402-L406 WeakPolarHBondContact O-CG 3.45Å; L402-L406 PolarHBondContact O-N 3.22Å
403	H	91.3	Very high	89.6	Confident	58 Å²	58	19.8 Å²	19.8	27%	0.269	9%	0.092	S	C	.	.	H	α-helix	trans	-56.1	-52.8	175.7	-171.7	59.4	0	0	0	111.5	M211 K399 R400 A405 L406 C407	M211-H403 HydrophobicContact CE-CB 3.97Å; M211-H403 HydrophobicContact SD-CB 4.42Å; K399-H403 WeakPolarHBondContact O-CB 3.5Å; K399-H403 PolarHBondContact O-N 3.16Å; R400-H403 WeakPolarHBondContact O-CA 3.15Å; R400-H403 VanDerWaalsContact O-CB 3.3Å; R400-H403 WeakPolarHBondContact O-CB 3.35Å; R400-H403 PolarHBondContact O-N 2.8Å; H403-A405 VanDerWaalsContact C-N 3.3Å; H403-A405 PolarHBondContact O-N 3.07Å; H403-L406 WeakPolarHBondContact O-CB 3.38Å; H403-L406 PolarHBondContact O-N 3.22Å; H403-L406 VanDerWaalsContact O-N 3.09Å; H403-C407 PolarHBondContact O-N 3.27Å; H403-C407 PolarHBondContact O-SG 3.48Å
404	D	90.2	Very high	89.6	Confident	5 Å²	5	22 Å²	22	3%	0.027	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-41.5	179.2	-62.8	38.8	0	0	0	111.3	G103 K176 R400 L406 C407 V408	G103-D404 WeakPolarHBondContact O-CA 3.08Å; G103-D404 WeakPolarHBondContact O-CB 3.42Å; K176-D404 VanDerWaalsContact NZ-CB 3.34Å; K176-D404 IonicContact NZ-OD1 2.8Å; K176-D404 PolarHBondContact NZ-OD1 2.98Å; K176-D404 IonicContact NZ-OD2 3.88Å; K176-D404 PolarHBondContact NZ-OD2 3.34Å; R400-D404 PolarHBondContact O-N 3.17Å; R400-D404 VanDerWaalsContact O-N 3.08Å; D404-L406 PolarHBondContact O-N 3.19Å; D404-C407 WeakPolarHBondContact O-CB 3.47Å; D404-C407 PolarHBondContact O-N 3.17Å; D404-V408 WeakPolarHBondContact O-CG2 3.46Å; D404-V408 PolarHBondContact O-N 3.13Å
405	A	91.3	Very high	89.6	Confident	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-42.6	175.9	0	0	0	0	0	112	L173 A189 A401 L402 H403 C407 V408 I409	L173-A405 HydrophobicContact CD1-CB 4.26Å; L173-A405 HydrophobicContact CD2-CB 3.99Å; L173-A405 HydrophobicContact CG-CB 3.97Å; A189-A405 HydrophobicContact CB-CB 4.37Å; A401-A405 PolarHBondContact O-N 3.36Å; L402-A405 PolarHBondContact O-N 3.01Å; H403-A405 VanDerWaalsContact C-N 3.3Å; H403-A405 PolarHBondContact O-N 3.07Å; A405-C407 VanDerWaalsContact C-N 3.31Å; A405-C407 PolarHBondContact O-N 2.84Å; A405-V408 PolarHBondContact O-N 3.04Å; A405-I409 VanDerWaalsContact O-CD1 3.29Å; A405-I409 WeakPolarHBondContact O-CD1 3.47Å; A405-I409 WeakPolarHBondContact O-CG1 3.43Å; A405-I409 PolarHBondContact O-N 3.35Å
406	L	92.8	Very high	89.4	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-62.3	-39.7	175.1	-67.3	168.8	0	0	0	111.3	A189 A192 V193 F206 I209 M211 I385 L402 H403 D404 I409 R410	A189-L406 HydrophobicContact CB-CD2 3.98Å; A189-L406 HydrophobicContact CB-CG 4.47Å; A192-L406 HydrophobicContact CB-CD2 4.16Å; V193-L406 HydrophobicContact CG2-CB 4.37Å; V193-L406 HydrophobicContact CG2-CD2 3.5Å; F206-L406 HydrophobicContact CE1-CB 3.97Å; I209-L406 HydrophobicContact CD1-CD2 4.43Å; I209-L406 HydrophobicContact CG2-CD1 4.09Å; M211-L406 HydrophobicContact SD-CD1 4Å; I385-L406 HydrophobicContact CD1-CD1 3.92Å; I385-L406 HydrophobicContact CD1-CD2 4.07Å; I385-L406 HydrophobicContact CD1-CG 4.44Å; L402-L406 WeakPolarHBondContact O-CG 3.45Å; L402-L406 PolarHBondContact O-N 3.22Å; H403-L406 WeakPolarHBondContact O-CB 3.38Å; H403-L406 PolarHBondContact O-N 3.22Å; H403-L406 VanDerWaalsContact O-N 3.09Å; D404-L406 PolarHBondContact O-N 3.19Å; L406-I409 PolarHBondContact O-N 3.47Å; L406-R410 WeakPolarHBondContact O-CB 3.46Å; L406-R410 PolarHBondContact O-N 2.87Å
407	C	91.8	Very high	89.4	Confident	6 Å²	6	23.1 Å²	23.1	4%	0.041	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-44.2	176.3	-66.4	0	0	0	0	112.6	I102 F206 H403 D404 A405 I409 R410 N411	I102-C407 VanDerWaalsContact O-CB 3.22Å; I102-C407 WeakPolarHBondContact O-CB 3.26Å; F206-C407 HydrophobicContact CZ-CB 4.28Å; F206-C407 WeakPolarHBondContact CZ-SG 3.34Å; H403-C407 PolarHBondContact O-N 3.27Å; H403-C407 PolarHBondContact O-SG 3.48Å; D404-C407 WeakPolarHBondContact O-CB 3.47Å; D404-C407 PolarHBondContact O-N 3.17Å; A405-C407 VanDerWaalsContact C-N 3.31Å; A405-C407 PolarHBondContact O-N 2.84Å; C407-I409 PolarHBondContact O-N 3.47Å; C407-R410 WeakPolarHBondContact O-CB 3.31Å; C407-R410 PolarHBondContact O-N 3.49Å; C407-N411 PolarHBondContact O-N 3.18Å; C407-N411 PolarHBondContact O-ND2 3.02Å; C407-N411 VanDerWaalsContact O-ND2 3.15Å
408	V	90.7	Very high	89.6	Confident	2 Å²	2	23 Å²	23	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-63	-42	175	171.6	0	0	0	0	112.1	D104 T168 T172 D404 A405 N411 L412 T509	D104-V408 HydrophobicContact CB-CG2 3.55Å; T168-V408 HydrophobicContact CG2-CG1 3.65Å; T172-V408 HydrophobicContact CG2-CB 3.95Å; T172-V408 HydrophobicContact CG2-CG1 3.87Å; T172-V408 HydrophobicContact CG2-CG2 3.59Å; D404-V408 WeakPolarHBondContact O-CG2 3.46Å; D404-V408 PolarHBondContact O-N 3.13Å; A405-V408 PolarHBondContact O-N 3.04Å; V408-N411 WeakPolarHBondContact O-CB 3.42Å; V408-N411 PolarHBondContact O-N 2.86Å; V408-L412 PolarHBondContact O-N 3.39Å; V408-L412 VanDerWaalsContact O-N 3.11Å; V408-T509 HydrophobicContact CG1-CG2 3.91Å
409	I	90.4	Very high	89.7	Confident	0 Å²	0	23 Å²	23	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.1	-40.4	176.5	-61.1	157	0	0	0	110.7	A169 A189 V190 V193 A405 L406 C407 N411 L412 V413	A169-I409 HydrophobicContact CB-CD1 3.97Å; A169-I409 HydrophobicContact CB-CG1 4.21Å; A189-I409 HydrophobicContact CB-CD1 3.74Å; V190-I409 HydrophobicContact CB-CD1 4.35Å; V190-I409 HydrophobicContact CG2-CD1 3.56Å; V190-I409 HydrophobicContact CG2-CG1 4.11Å; V193-I409 HydrophobicContact CB-CB 4.48Å; V193-I409 HydrophobicContact CB-CG2 3.79Å; V193-I409 HydrophobicContact CG1-CG2 3.72Å; V193-I409 HydrophobicContact CG2-CB 4.17Å; V193-I409 HydrophobicContact CG2-CG2 4.03Å; A405-I409 VanDerWaalsContact O-CD1 3.29Å; A405-I409 WeakPolarHBondContact O-CD1 3.47Å; A405-I409 WeakPolarHBondContact O-CG1 3.43Å; A405-I409 PolarHBondContact O-N 3.35Å; L406-I409 PolarHBondContact O-N 3.47Å; C407-I409 PolarHBondContact O-N 3.47Å; I409-N411 VanDerWaalsContact C-N 3.28Å; I409-N411 PolarHBondContact O-N 3.39Å; I409-L412 WeakPolarHBondContact O-CB 3.31Å; I409-L412 PolarHBondContact O-N 3.28Å; I409-L412 VanDerWaalsContact O-N 3.16Å; I409-V413 WeakPolarHBondContact O-CG2 3.48Å; I409-V413 PolarHBondContact O-N 3.44Å
410	R	90.4	Very high	89.7	Confident	41 Å²	41	21.5 Å²	21.5	16%	0.155	9%	0.093	C	C	.	.	H	α-helix	trans	-57.8	-42	173.2	171.3	-178.8	-170	-146.8	20.6	111.7	D203 V204 F206 L406 C407 L412 V413 R414	D203-R410 IonicContact OD1-NE 3.47Å; V204-R410 HydrophobicContact CB-CB 4.22Å; V204-R410 HydrophobicContact CB-CG 3.91Å; V204-R410 HydrophobicContact CG2-CB 4.19Å; V204-R410 HydrophobicContact CG2-CG 4.1Å; V204-R410 PolarHBondContact O-NE 3.18Å; V204-R410 VanDerWaalsContact O-NE 3.09Å; V204-R410 PolarHBondContact O-NH2 3.18Å; F206-R410 VanDerWaalsContact CE2-NH1 3.3Å; F206-R410 HydrophobicContact CZ-CB 4.07Å; F206-R410 HydrophobicContact CZ-CG 4.33Å; L406-R410 WeakPolarHBondContact O-CB 3.46Å; L406-R410 PolarHBondContact O-N 2.87Å; C407-R410 WeakPolarHBondContact O-CB 3.31Å; C407-R410 PolarHBondContact O-N 3.49Å; R410-L412 VanDerWaalsContact C-N 3.3Å; R410-L412 PolarHBondContact O-N 3.43Å; R410-V413 PolarHBondContact O-N 3.34Å; R410-R414 VanDerWaalsContact CZ-CZ 3.49Å; R410-R414 WeakPolarHBondContact O-CG 3.16Å; R410-R414 PolarHBondContact O-N 3.16Å
411	N	89.4	Confident	89.8	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.011	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-38.7	177.7	-66.4	-27.7	0	0	0	111.5	I102 C407 V408 I409 R414 D415 T509	I102-N411 WeakPolarHBondContact CG2-ND2 3.48Å; I102-N411 PolarHBondContact O-ND2 3.15Å; C407-N411 PolarHBondContact O-N 3.18Å; C407-N411 PolarHBondContact O-ND2 3.02Å; C407-N411 VanDerWaalsContact O-ND2 3.15Å; V408-N411 WeakPolarHBondContact O-CB 3.42Å; V408-N411 PolarHBondContact O-N 2.86Å; I409-N411 VanDerWaalsContact C-N 3.28Å; I409-N411 PolarHBondContact O-N 3.39Å; N411-R414 PolarHBondContact O-N 3.45Å; N411-D415 PolarHBondContact O-N 3.43Å; N411-T509 HydrophobicContact CB-CG2 3.98Å
412	L	87.7	Confident	89.7	Confident	11 Å²	11	19.5 Å²	19.5	6%	0.058	9%	0.089	C	C	.	.	H	α-helix	trans	-67.8	-34.7	173.9	-71.3	176	0	0	0	113.8	L165 T168 V408 I409 R410 R414 D415 N416 I418 T509	L165-L412 HydrophobicContact CD2-CB 3.89Å; L165-L412 HydrophobicContact CD2-CD1 3.54Å; L165-L412 HydrophobicContact CD2-CG 4.36Å; T168-L412 HydrophobicContact CG2-CD1 3.95Å; V408-L412 PolarHBondContact O-N 3.39Å; V408-L412 VanDerWaalsContact O-N 3.11Å; I409-L412 WeakPolarHBondContact O-CB 3.31Å; I409-L412 PolarHBondContact O-N 3.28Å; I409-L412 VanDerWaalsContact O-N 3.16Å; R410-L412 VanDerWaalsContact C-N 3.3Å; R410-L412 PolarHBondContact O-N 3.43Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-D415 WeakPolarHBondContact CA-O 3.23Å; L412-D415 CarbonylContact O-C 3.58Å; L412-N416 PolarHBondContact O-OD1 3.25Å; L412-N416 VanDerWaalsContact O-OD1 3.13Å; L412-I418 HydrophobicContact CD2-CG2 3.54Å; L412-T509 HydrophobicContact CD2-CG2 3.78Å; L412-T509 HydrophobicContact CG-CG2 3.76Å
413	V	86.8	Confident	89.7	Confident	10 Å²	10	19.5 Å²	19.5	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-66	-36.5	174.6	172	0	0	0	0	111	V193 A197 V204 I409 R410	V193-V413 HydrophobicContact CG1-CG2 4.14Å; A197-V413 HydrophobicContact CB-CG1 4.38Å; V204-V413 HydrophobicContact CG2-CB 4.35Å; V204-V413 HydrophobicContact CG2-CG1 4.23Å; I409-V413 WeakPolarHBondContact O-CG2 3.48Å; I409-V413 PolarHBondContact O-N 3.44Å; R410-V413 PolarHBondContact O-N 3.34Å
414	R	86.6	Confident	89.8	Confident	94 Å²	94	16.8 Å²	16.8	36%	0.355	8%	0.077	S	C	.	.	H	α-helix	trans	-72.8	-50.1	176.6	-74.4	172.3	168.7	-169.2	-7.7	112.1	K202 D203 R410 N411 L412	K202-R414 WeakPolarHBondContact O-CG 3.39Å; D203-R414 IonicContact OD1-CZ 3.46Å; D203-R414 IonicContact OD1-NE 3.74Å; D203-R414 PolarHBondContact OD1-NE 2.89Å; D203-R414 IonicContact OD1-NH2 2.7Å; D203-R414 PolarHBondContact OD1-NH2 3.02Å; R410-R414 VanDerWaalsContact CZ-CZ 3.49Å; R410-R414 WeakPolarHBondContact O-CG 3.16Å; R410-R414 PolarHBondContact O-N 3.16Å; N411-R414 PolarHBondContact O-N 3.45Å; L412-R414 VanDerWaalsContact C-N 3.3Å
415	D	85.9	Confident	90	Very high	43 Å²	43	16.7 Å²	16.7	23%	0.23	8%	0.077	C	C	.	.			trans	-135	113.5	-180	-169.4	-3	0	0	0	110.6	N411 L412 R417	N411-D415 PolarHBondContact O-N 3.43Å; L412-D415 WeakPolarHBondContact CA-O 3.23Å; L412-D415 CarbonylContact O-C 3.58Å; D415-R417 PolarHBondContact O-N 3.5Å; D415-R417 WeakPolarHBondContact OD1-CB 3.35Å; D415-R417 WeakPolarHBondContact OD1-CG 3.4Å; D415-R417 IonicContact OD1-CZ 3.43Å; D415-R417 PolarHBondContact OD1-N 3.5Å; D415-R417 IonicContact OD1-NE 2.68Å; D415-R417 PolarHBondContact OD1-NE 3.06Å; D415-R417 IonicContact OD1-NH2 2.74Å; D415-R417 IonicContact OD2-CZ 3.23Å; D415-R417 VanDerWaalsContact OD2-CZ 3.3Å; D415-R417 IonicContact OD2-NE 3.99Å; D415-R417 PolarHBondContact OD2-NE 3.2Å; D415-R417 VanDerWaalsContact OD2-NE 3.07Å; D415-R417 IonicContact OD2-NH2 3.24Å; D415-R417 PolarHBondContact OD2-NH2 3.04Å
416	N	86.3	Confident	90.2	Very high	38 Å²	38	17 Å²	17	20%	0.203	8%	0.079	C	C	.	.			trans	-76.1	8.9	-174.4	-55.7	16.1	0	0	0	113.7	T154 F155 Y157 L412	T154-N416 HydrophobicContact CG2-CB 4.31Å; F155-N416 PolarHBondContact N-O 2.7Å; Y157-N416 VanDerWaalsContact CB-ND2 3.3Å; Y157-N416 WeakPolarHBondContact CB-ND2 3.48Å; L412-N416 PolarHBondContact O-OD1 3.25Å; L412-N416 VanDerWaalsContact O-OD1 3.13Å
417	R	89.6	Confident	90.2	Very high	77 Å²	77	17 Å²	17	29%	0.291	8%	0.078	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.9	-177.6	-68.1	-178.2	-68	164.9	2.5	111	D149 E153 D415 L510	D149-R417 IonicContact OD1-CZ 2.75Å; D149-R417 IonicContact OD1-NH1 2.8Å; D149-R417 PolarHBondContact OD1-NH1 3.05Å; E153-R417 WeakPolarHBondContact O-CA 3.11Å; D415-R417 PolarHBondContact O-N 3.5Å; D415-R417 WeakPolarHBondContact OD1-CB 3.35Å; D415-R417 WeakPolarHBondContact OD1-CG 3.4Å; D415-R417 IonicContact OD1-CZ 3.43Å; D415-R417 PolarHBondContact OD1-N 3.5Å; D415-R417 IonicContact OD1-NE 2.68Å; D415-R417 PolarHBondContact OD1-NE 3.06Å; D415-R417 IonicContact OD1-NH2 2.74Å; D415-R417 IonicContact OD2-CZ 3.23Å; D415-R417 VanDerWaalsContact OD2-CZ 3.3Å; D415-R417 IonicContact OD2-NE 3.99Å; D415-R417 PolarHBondContact OD2-NE 3.2Å; D415-R417 VanDerWaalsContact OD2-NE 3.07Å; D415-R417 IonicContact OD2-NH2 3.24Å; D415-R417 PolarHBondContact OD2-NH2 3.04Å; R417-L510 HydrophobicContact CB-CB 3.93Å; R417-L510 HydrophobicContact CB-CD2 3.7Å; R417-L510 HydrophobicContact CB-CG 4.48Å; R417-L510 HydrophobicContact CG-CD2 4.41Å; R417-L510 WeakPolarHBondContact O-CB 3.39Å; R417-L510 PolarHBondContact O-N 3.15Å; R417-L510 VanDerWaalsContact O-N 3.09Å
418	I	90.5	Very high	90.4	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	159.3	-179.7	59.7	124.3	0	0	0	111.4	S152 E153 F155 L412 Y420 I507 E508	S152-I418 VanDerWaalsContact CA-O 3.27Å; S152-I418 WeakPolarHBondContact CA-O 3.43Å; E153-I418 HydrophobicContact CB-CD1 4.2Å; E153-I418 HydrophobicContact CB-CG1 4.21Å; E153-I418 PolarHBondContact N-O 3.35Å; E153-I418 WeakPolarHBondContact O-CG1 3.46Å; E153-I418 PolarHBondContact O-N 3.39Å; F155-I418 HydrophobicContact CD2-CB 4.22Å; F155-I418 HydrophobicContact CD2-CD1 3.61Å; F155-I418 HydrophobicContact CD2-CG1 3.46Å; F155-I418 VanDerWaalsContact CD2-CG1 3.46Å; F155-I418 HydrophobicContact CD2-CG2 3.82Å; F155-I418 HydrophobicContact CE2-CB 4.4Å; F155-I418 HydrophobicContact CE2-CD1 3.09Å; F155-I418 HydrophobicContact CE2-CG1 3.55Å; F155-I418 HydrophobicContact CE2-CG2 4.31Å; F155-I418 HydrophobicContact CG-CG1 4.4Å; F155-I418 HydrophobicContact CZ-CD1 3.79Å; L412-I418 HydrophobicContact CD2-CG2 3.54Å; I418-Y420 HydrophobicContact CD1-CE1 4.31Å; I418-I507 HydrophobicContact CB-CG2 3.71Å; I418-I507 HydrophobicContact CD1-CG2 3.86Å; I418-I507 HydrophobicContact CG1-CG2 4.34Å; I418-I507 HydrophobicContact CG2-CG2 3.73Å; I418-E508 WeakPolarHBondContact CA-O 3.34Å
419	V	92.1	Very high	90.6	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154	170.1	-68.7	0	0	0	0	109	E508 L510 K513	V419-E508 HydrophobicContact CG2-CB 4.4Å; V419-E508 PolarHBondContact N-O 3.17Å; V419-E508 PolarHBondContact O-N 3.37Å; V419-E508 VanDerWaalsContact O-O 3.14Å; V419-L510 HydrophobicContact CG1-CB 4.27Å; V419-L510 HydrophobicContact CG1-CD1 3.63Å; V419-K513 HydrophobicContact CG2-CB 4.28Å; V419-K513 HydrophobicContact CG2-CG 3.81Å
420	Y	91.9	Very high	90.8	Very high	7 Å²	7	17 Å²	17	3%	0.027	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.8	176.5	-65.5	-64.3	0	0	0	110	E153 I418 S425 A488 M501 K502 I507	E153-Y420 VanDerWaalsContact CD-OH 3.25Å; E153-Y420 HydrophobicContact CG-CE2 4.32Å; E153-Y420 PolarHBondContact OE1-OH 3.49Å; E153-Y420 PolarHBondContact OE2-OH 3.32Å; I418-Y420 HydrophobicContact CD1-CE1 4.31Å; Y420-S425 WeakPolarHBondContact O-CB 3.3Å; Y420-S425 PolarHBondContact O-N 3.32Å; Y420-A488 HydrophobicContact CD2-CB 3.56Å; Y420-A488 HydrophobicContact CE2-CB 4Å; Y420-A488 HydrophobicContact CG-CB 3.98Å; Y420-M501 HydrophobicContact CD1-CB 4.33Å; Y420-M501 HydrophobicContact CG-CB 4.41Å; Y420-K502 HydrophobicContact CD1-CB 4.29Å; Y420-K502 HydrophobicContact CE1-CB 3.71Å; Y420-K502 HydrophobicContact CE1-CG 3.9Å; Y420-K502 HydrophobicContact CE2-CB 4.43Å; Y420-K502 HydrophobicContact CE2-CD 4.42Å; Y420-K502 VanDerWaalsContact OH-CD 3.23Å; Y420-K502 WeakPolarHBondContact OH-CD 3.44Å; Y420-K502 WeakPolarHBondContact OH-CE 3.45Å; Y420-K502 WeakPolarHBondContact OH-CG 3.26Å; Y420-K502 PolarHBondContact OH-NZ 2.7Å; Y420-K502 VanDerWaalsContact OH-NZ 3.16Å; Y420-I507 HydrophobicContact CD1-CG1 4.48Å; Y420-I507 HydrophobicContact CE1-CG1 4.4Å
421	G	89.6	Confident	91	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-142.9	-176.4	0	0	0	0	0	113.1	G423 A424 M501 V506 E508	G421-G423 PolarHBondContact O-N 2.99Å; G421-G423 VanDerWaalsContact O-N 3.13Å; G421-A424 VanDerWaalsContact O-CB 3.26Å; G421-A424 WeakPolarHBondContact O-CB 3.48Å; G421-A424 PolarHBondContact O-N 2.71Å; G421-M501 WeakPolarHBondContact O-CG 3.45Å; G421-V506 PolarHBondContact N-O 3.49Å; G421-V506 VanDerWaalsContact N-O 3.17Å; G421-E508 WeakPolarHBondContact CA-OE2 3.49Å
422	G	87.9	Confident	91.2	Very high	12 Å²	12	16.9 Å²	16.9	12%	0.124	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	25.8	176.4	0	0	0	0	0	113.7	A424 I491	G422-A424 VanDerWaalsContact C-N 3.29Å; G422-A424 PolarHBondContact O-N 3.07Å; G422-I491 PolarHBondContact O-N 3.01Å
423	G	90.8	Very high	91.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-6	-176.9	0	0	0	0	0	115.2	G421 E426 I427	G421-G423 PolarHBondContact O-N 2.99Å; G421-G423 VanDerWaalsContact O-N 3.13Å; G423-E426 VanDerWaalsContact C-OE2 3.24Å; G423-E426 WeakPolarHBondContact CA-OE2 3.43Å; G423-E426 PolarHBondContact O-N 3.36Å; G423-I427 VanDerWaalsContact O-CG1 3.24Å; G423-I427 WeakPolarHBondContact O-CG1 2.68Å; G423-I427 PolarHBondContact O-N 2.98Å; G423-I427 VanDerWaalsContact O-N 3.1Å
424	A	93.4	Very high	91.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.2	-45.5	-177.5	0	0	0	0	0	111.5	G421 G422 E426 I427 A428 Q481 P487 L489 M501	G421-A424 VanDerWaalsContact O-CB 3.26Å; G421-A424 WeakPolarHBondContact O-CB 3.48Å; G421-A424 PolarHBondContact O-N 2.71Å; G422-A424 VanDerWaalsContact C-N 3.29Å; G422-A424 PolarHBondContact O-N 3.07Å; A424-E426 VanDerWaalsContact C-N 3.31Å; A424-E426 PolarHBondContact O-N 3.24Å; A424-I427 PolarHBondContact O-N 3.47Å; A424-A428 WeakPolarHBondContact O-CB 3.21Å; A424-A428 PolarHBondContact O-N 2.96Å; A424-Q481 PolarHBondContact O-NE2 3.38Å; A424-P487 WeakPolarHBondContact CB-O 3.33Å; A424-L489 WeakPolarHBondContact CA-O 3.24Å; A424-L489 VanDerWaalsContact CB-O 3.28Å; A424-L489 WeakPolarHBondContact CB-O 3.49Å; A424-M501 HydrophobicContact CB-CG 4.05Å
425	S	93.6	Very high	92.3	Very high	3 Å²	3	18 Å²	18	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-38.3	178.5	76.1	0	0	0	0	112.6	Y420 C429	Y420-S425 WeakPolarHBondContact O-CB 3.3Å; Y420-S425 PolarHBondContact O-N 3.32Å; S425-C429 WeakPolarHBondContact O-CB 3.42Å; S425-C429 PolarHBondContact O-N 3.12Å; S425-C429 PolarHBondContact O-SG 3.28Å
426	E	95	Very high	92.6	Very high	8 Å²	8	16.9 Å²	16.9	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-69.4	-46.5	-178.9	-68.6	80.3	175.4	0	0	111.1	G423 A424 A428 C429 A430 I458 K513	G423-E426 VanDerWaalsContact C-OE2 3.24Å; G423-E426 WeakPolarHBondContact CA-OE2 3.43Å; G423-E426 PolarHBondContact O-N 3.36Å; A424-E426 VanDerWaalsContact C-N 3.31Å; A424-E426 PolarHBondContact O-N 3.24Å; E426-A428 VanDerWaalsContact C-N 3.34Å; E426-A428 PolarHBondContact O-N 3.25Å; E426-C429 PolarHBondContact O-N 3.17Å; E426-A430 WeakPolarHBondContact O-CB 3.47Å; E426-A430 PolarHBondContact O-N 3.45Å; E426-I458 HydrophobicContact CG-CB 4.1Å; E426-I458 HydrophobicContact CG-CD1 3.86Å; E426-I458 HydrophobicContact CG-CG2 4.02Å; E426-K513 WeakPolarHBondContact OE1-CE 3.48Å; E426-K513 IonicContact OE1-NZ 3.66Å; E426-K513 PolarHBondContact OE1-NZ 3.04Å
427	I	94.6	Very high	93	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-42.5	176.6	-62.5	167	0	0	0	110.3	G423 A424 C429 A430 L431 P459 M474 V477 R478 Q481	G423-I427 VanDerWaalsContact O-CG1 3.24Å; G423-I427 WeakPolarHBondContact O-CG1 2.68Å; G423-I427 PolarHBondContact O-N 2.98Å; G423-I427 VanDerWaalsContact O-N 3.1Å; A424-I427 PolarHBondContact O-N 3.47Å; I427-C429 VanDerWaalsContact C-N 3.3Å; I427-C429 PolarHBondContact O-N 2.9Å; I427-A430 WeakPolarHBondContact O-CB 2.95Å; I427-A430 PolarHBondContact O-N 3.4Å; I427-L431 HydrophobicContact CG2-CD1 4.32Å; I427-L431 WeakPolarHBondContact O-CG 3.36Å; I427-L431 PolarHBondContact O-N 3.44Å; I427-P459 HydrophobicContact CD1-CB 4.14Å; I427-P459 HydrophobicContact CD1-CG 4.27Å; I427-P459 HydrophobicContact CG1-CB 4.26Å; I427-P459 HydrophobicContact CG1-CG 3.87Å; I427-M474 HydrophobicContact CD1-CE 4.25Å; I427-M474 HydrophobicContact CD1-SD 4.07Å; I427-M474 HydrophobicContact CG1-CE 4.07Å; I427-M474 HydrophobicContact CG1-SD 4.44Å; I427-V477 HydrophobicContact CD1-CB 4.26Å; I427-V477 HydrophobicContact CD1-CG1 3.65Å; I427-R478 HydrophobicContact CG2-CB 4.33Å; I427-R478 HydrophobicContact CG2-CG 4.46Å; I427-Q481 VanDerWaalsContact CG2-OE1 3.25Å
428	A	94.2	Very high	93.1	Very high	8 Å²	8	16.6 Å²	16.6	7%	0.066	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-36.5	179.4	0	0	0	0	0	111.9	I151 A424 E426 A432 P487	I151-A428 HydrophobicContact CD1-CB 3.44Å; I151-A428 VanDerWaalsContact CD1-CB 3.44Å; A424-A428 WeakPolarHBondContact O-CB 3.21Å; A424-A428 PolarHBondContact O-N 2.96Å; E426-A428 VanDerWaalsContact C-N 3.34Å; E426-A428 PolarHBondContact O-N 3.25Å; A428-A432 PolarHBondContact O-N 2.94Å; A428-P487 HydrophobicContact CB-CB 4.14Å
429	C	94.9	Very high	93.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-67	-44.4	171.5	-69.7	0	0	0	0	111.9	A144 L148 S425 E426 I427 L431 A432 V433 L455	A144-C429 HydrophobicContact CB-CB 4.07Å; L148-C429 VanDerWaalsContact CD2-SG 3.58Å; S425-C429 WeakPolarHBondContact O-CB 3.42Å; S425-C429 PolarHBondContact O-N 3.12Å; S425-C429 PolarHBondContact O-SG 3.28Å; E426-C429 PolarHBondContact O-N 3.17Å; I427-C429 VanDerWaalsContact C-N 3.3Å; I427-C429 PolarHBondContact O-N 2.9Å; C429-L431 VanDerWaalsContact C-N 3.32Å; C429-L431 PolarHBondContact O-N 2.9Å; C429-A432 PolarHBondContact O-N 3.39Å; C429-V433 VanDerWaalsContact O-CG2 3.3Å; C429-V433 WeakPolarHBondContact O-CG2 3.22Å; C429-V433 PolarHBondContact O-N 2.84Å; C429-L455 HydrophobicContact CB-CD1 3.77Å
430	A	95.3	Very high	92.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-42.6	177.9	0	0	0	0	0	111.8	E426 I427 V433 N434 A452 L455 E456	E426-A430 WeakPolarHBondContact O-CB 3.47Å; E426-A430 PolarHBondContact O-N 3.45Å; I427-A430 WeakPolarHBondContact O-CB 2.95Å; I427-A430 PolarHBondContact O-N 3.4Å; A430-V433 PolarHBondContact O-N 3.01Å; A430-N434 WeakPolarHBondContact O-CB 3.42Å; A430-N434 PolarHBondContact O-N 2.9Å; A430-N434 PolarHBondContact O-ND2 3.12Å; A430-A452 HydrophobicContact CB-CB 4.24Å; A430-A452 WeakPolarHBondContact CB-O 3.37Å; A430-A452 WeakPolarHBondContact O-CB 3.35Å; A430-L455 HydrophobicContact CB-CB 4.13Å; A430-L455 HydrophobicContact CB-CD1 4.38Å; A430-E456 HydrophobicContact CB-CG 4.07Å
431	L	94.1	Very high	92.5	Very high	26 Å²	26	31.5 Å²	31.5	14%	0.136	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-45.3	174.8	-72.4	173.7	0	0	0	112.1	I427 C429 N434 Q435 R478 Q481 V482	I427-L431 HydrophobicContact CG2-CD1 4.32Å; I427-L431 WeakPolarHBondContact O-CG 3.36Å; I427-L431 PolarHBondContact O-N 3.44Å; C429-L431 VanDerWaalsContact C-N 3.32Å; C429-L431 PolarHBondContact O-N 2.9Å; L431-N434 PolarHBondContact O-N 3.28Å; L431-Q435 WeakPolarHBondContact O-CG 3.5Å; L431-Q435 PolarHBondContact O-N 2.98Å; L431-R478 HydrophobicContact CD2-CG 4.07Å; L431-Q481 HydrophobicContact CD1-CB 4.05Å; L431-V482 HydrophobicContact CD1-CG2 3.74Å; L431-V482 HydrophobicContact CD2-CG2 3.76Å; L431-V482 HydrophobicContact CG-CG2 4.42Å
432	A	94.3	Very high	92.4	Very high	14 Å²	14	34.1 Å²	34.1	12%	0.116	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-40.2	179.7	0	0	0	0	0	112.6	Q147 A428 C429 Q435 A436	Q147-A432 HydrophobicContact CB-CB 4.05Å; Q147-A432 HydrophobicContact CG-CB 3.6Å; A428-A432 PolarHBondContact O-N 2.94Å; C429-A432 PolarHBondContact O-N 3.39Å; A432-Q435 PolarHBondContact O-N 3.41Å; A432-A436 PolarHBondContact O-N 3.47Å
433	V	95.3	Very high	92.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-42.7	176.1	174	0	0	0	0	110.6	A140 I143 A144 C429 A430 Q435 A436 A437 M448 F451 A452	A140-V433 HydrophobicContact CB-CG1 3.92Å; I143-V433 HydrophobicContact CG2-CG2 4.32Å; A144-V433 HydrophobicContact CB-CG2 4.11Å; C429-V433 VanDerWaalsContact O-CG2 3.3Å; C429-V433 WeakPolarHBondContact O-CG2 3.22Å; C429-V433 PolarHBondContact O-N 2.84Å; A430-V433 PolarHBondContact O-N 3.01Å; V433-Q435 PolarHBondContact O-N 3.24Å; V433-A436 WeakPolarHBondContact O-CB 3.48Å; V433-A436 PolarHBondContact O-N 3.26Å; V433-A436 VanDerWaalsContact O-N 3.13Å; V433-A437 PolarHBondContact O-N 3.32Å; V433-M448 HydrophobicContact CG1-CB 4.12Å; V433-M448 WeakPolarHBondContact CG1-O 3.4Å; V433-F451 HydrophobicContact CG1-CD1 4.37Å; V433-F451 HydrophobicContact CG2-CD1 4.43Å; V433-A452 HydrophobicContact CB-CB 4.18Å; V433-A452 HydrophobicContact CG1-CB 4.07Å
434	N	94.7	Very high	92.1	Very high	22 Å²	22	40.8 Å²	40.8	12%	0.118	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-44	175.4	-84.4	-37.6	0	0	0	112.5	A430 L431 A436 A437 D438 A452	A430-N434 WeakPolarHBondContact O-CB 3.42Å; A430-N434 PolarHBondContact O-N 2.9Å; A430-N434 PolarHBondContact O-ND2 3.12Å; L431-N434 PolarHBondContact O-N 3.28Å; N434-A436 VanDerWaalsContact C-N 3.26Å; N434-A436 PolarHBondContact O-N 2.97Å; N434-A437 WeakPolarHBondContact O-CB 3.21Å; N434-A437 PolarHBondContact O-N 3.14Å; N434-A437 VanDerWaalsContact O-N 3.17Å; N434-D438 PolarHBondContact O-N 2.95Å; N434-D438 VanDerWaalsContact O-N 3.1Å; N434-A452 WeakPolarHBondContact ND2-CB 3.28Å; N434-A452 WeakPolarHBondContact OD1-CB 3.45Å
435	Q	93.4	Very high	92.1	Very high	116 Å²	116	42.9 Å²	42.9	54%	0.542	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-32.8	174.7	-72.3	176.1	9.7	0	0	112.9	L431 A432 V433 K439	L431-Q435 WeakPolarHBondContact O-CG 3.5Å; L431-Q435 PolarHBondContact O-N 2.98Å; A432-Q435 PolarHBondContact O-N 3.41Å; V433-Q435 PolarHBondContact O-N 3.24Å; Q435-K439 WeakPolarHBondContact O-CG 3.45Å
436	A	93.3	Very high	92.1	Very high	20 Å²	20	47.2 Å²	47.2	17%	0.165	25%	0.249	C	C	.	.	H	α-helix	trans	-73.4	-36.1	174.8	0	0	0	0	0	111.8	I143 A432 V433 N434 D438 K439 C440	I143-A436 HydrophobicContact CD1-CB 3.82Å; I143-A436 HydrophobicContact CG2-CB 4.18Å; A432-A436 PolarHBondContact O-N 3.47Å; V433-A436 WeakPolarHBondContact O-CB 3.48Å; V433-A436 PolarHBondContact O-N 3.26Å; V433-A436 VanDerWaalsContact O-N 3.13Å; N434-A436 VanDerWaalsContact C-N 3.26Å; N434-A436 PolarHBondContact O-N 2.97Å; A436-D438 VanDerWaalsContact C-N 3.34Å; A436-D438 PolarHBondContact O-N 3.37Å; A436-K439 PolarHBondContact O-N 3.48Å; A436-C440 PolarHBondContact O-N 3.3Å; A436-C440 PolarHBondContact O-SG 3.45Å
437	A	93.8	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-43.1	174.8	0	0	0	0	0	111.3	V433 N434 K439 C440 M448 R449	V433-A437 PolarHBondContact O-N 3.32Å; N434-A437 WeakPolarHBondContact O-CB 3.21Å; N434-A437 PolarHBondContact O-N 3.14Å; N434-A437 VanDerWaalsContact O-N 3.17Å; A437-K439 PolarHBondContact O-N 2.95Å; A437-C440 PolarHBondContact O-N 2.96Å; A437-C440 VanDerWaalsContact O-N 3.07Å; A437-M448 HydrophobicContact CB-CB 3.74Å; A437-M448 HydrophobicContact CB-SD 4.37Å; A437-R449 HydrophobicContact CB-CG 3.9Å
438	D	93.2	Very high	92.1	Very high	108 Å²	108	47 Å²	47	58%	0.578	25%	0.249	S	C	*	.	H	α-helix	trans	-65	-25.7	178.1	-67.9	-24.1	0	0	0	113.5	N434 A436 R449	N434-D438 PolarHBondContact O-N 2.95Å; N434-D438 VanDerWaalsContact O-N 3.1Å; A436-D438 VanDerWaalsContact C-N 3.34Å; A436-D438 PolarHBondContact O-N 3.37Å; D438-R449 IonicContact OD1-CZ 3.28Å; D438-R449 IonicContact OD1-NE 3.41Å; D438-R449 IonicContact OD1-NH2 2.7Å; D438-R449 PolarHBondContact OD1-NH2 3.27Å
439	K	92	Very high	92.1	Very high	168 Å²	168	51.2 Å²	51.2	73%	0.73	26%	0.263	S	S	*	.	H	α-helix	trans	-82.5	-18.6	175.7	-69.3	172.6	-175.4	172.9	0	112.8	Q435 A436 A437 P441	Q435-K439 WeakPolarHBondContact O-CG 3.45Å; A436-K439 PolarHBondContact O-N 3.48Å; A437-K439 PolarHBondContact O-N 2.95Å; K439-P441 WeakPolarHBondContact O-CD 3.14Å
440	C	86.6	Confident	92.2	Very high	27 Å²	27	51.5 Å²	51.5	18%	0.182	27%	0.265	C	S	.	.			trans	-94.4	110.9	-176.9	-68.3	0	0	0	0	110.4	A436 A437 S442	A436-C440 PolarHBondContact O-N 3.3Å; A436-C440 PolarHBondContact O-SG 3.45Å; A437-C440 PolarHBondContact O-N 2.96Å; A437-C440 VanDerWaalsContact O-N 3.07Å; C440-S442 PolarHBondContact O-N 3.37Å
441	P	83.4	Confident	92.2	Very high	128 Å²	128	51.5 Å²	51.5	83%	0.831	27%	0.265	S	S	*	.			trans	-78.2	2.9	179.2	32.3	-35.9	0	0	0	113.9	K439	K439-P441 WeakPolarHBondContact O-CD 3.14Å
442	S	87.4	Confident	92.3	Very high	54 Å²	54	50.3 Å²	50.3	38%	0.378	26%	0.259	S	S	.	.	S	Bend	trans	-83.8	165.7	-175.8	-175.4	0	0	0	0	112.1	C440 E444 Q445	C440-S442 PolarHBondContact O-N 3.37Å; S442-E444 PolarHBondContact O-N 2.95Å; S442-E444 VanDerWaalsContact O-N 3.15Å; S442-Q445 WeakPolarHBondContact O-CB 3.49Å; S442-Q445 WeakPolarHBondContact O-CG 3.45Å; S442-Q445 PolarHBondContact O-N 3.08Å
443	L	84.6	Confident	92.4	Very high	90 Å²	90	52.8 Å²	52.8	47%	0.471	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.2	172.1	-73.3	166.8	0	0	0	113	Q445 Y446	L443-Q445 PolarHBondContact O-N 3.48Å; L443-Q445 VanDerWaalsContact O-N 3.17Å; L443-Y446 HydrophobicContact CD2-CE2 4.32Å; L443-Y446 WeakPolarHBondContact O-CD2 3.19Å; L443-Y446 PolarHBondContact O-N 3.12Å
444	E	87.9	Confident	92.4	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-20	174.1	-68.5	158.9	175.2	0	0	112.7	Q139 S442 Y446 A447 M448	Q139-E444 PolarHBondContact OE1-OE2 3.07Å; S442-E444 PolarHBondContact O-N 2.95Å; S442-E444 VanDerWaalsContact O-N 3.15Å; E444-Y446 PolarHBondContact O-N 2.77Å; E444-A447 PolarHBondContact O-N 3.05Å; E444-A447 VanDerWaalsContact O-N 3.12Å; E444-M448 WeakPolarHBondContact O-CG 3.46Å; E444-M448 PolarHBondContact O-N 2.93Å
445	Q	92.6	Very high	92.4	Very high	45 Å²	45	51.8 Å²	51.8	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-54.6	-36	175.3	74.3	-177.7	-30	0	0	112.3	S442 L443 R449	S442-Q445 WeakPolarHBondContact O-CB 3.49Å; S442-Q445 WeakPolarHBondContact O-CG 3.45Å; S442-Q445 PolarHBondContact O-N 3.08Å; L443-Q445 PolarHBondContact O-N 3.48Å; L443-Q445 VanDerWaalsContact O-N 3.17Å; Q445-R449 WeakPolarHBondContact O-CG 3.4Å; Q445-R449 PolarHBondContact O-N 2.84Å
446	Y	93.4	Very high	92.5	Very high	93 Å²	93	47.4 Å²	47.4	37%	0.365	24%	0.244	S	C	.	.	H	α-helix	trans	-71.6	-41.7	-179.5	-64.7	-71.3	0	0	0	111.1	I128 L443 E444 R449 S450	I128-Y446 HydrophobicContact CD1-CD2 4.33Å; I128-Y446 HydrophobicContact CD1-CG 4.29Å; L443-Y446 HydrophobicContact CD2-CE2 4.32Å; L443-Y446 WeakPolarHBondContact O-CD2 3.19Å; L443-Y446 PolarHBondContact O-N 3.12Å; E444-Y446 PolarHBondContact O-N 2.77Å; Y446-R449 PolarHBondContact O-N 2.89Å; Y446-S450 WeakPolarHBondContact O-CB 3.49Å; Y446-S450 PolarHBondContact O-N 3.18Å; Y446-S450 PolarHBondContact O-OG 3.49Å
447	A	94.3	Very high	92.6	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-40.3	175	0	0	0	0	0	111.4	L123 Y137 E444 R449 S450 F451	L123-A447 HydrophobicContact CD1-CB 4.43Å; Y137-A447 HydrophobicContact CD1-CB 4.08Å; Y137-A447 WeakPolarHBondContact CD1-O 3.34Å; Y137-A447 HydrophobicContact CE1-CB 4.23Å; Y137-A447 WeakPolarHBondContact CE1-O 3.39Å; E444-A447 PolarHBondContact O-N 3.05Å; E444-A447 VanDerWaalsContact O-N 3.12Å; A447-R449 PolarHBondContact O-N 3.23Å; A447-S450 PolarHBondContact O-N 3.34Å; A447-F451 WeakPolarHBondContact O-CB 3.39Å; A447-F451 PolarHBondContact O-N 3.44Å
448	M	94.9	Very high	92.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-41	175.6	-68.7	-177.6	-176.9	0	0	112.5	Q139 A140 I143 V433 A437 E444 F451 A452	Q139-M448 HydrophobicContact CB-CE 3.9Å; Q139-M448 HydrophobicContact CG-CE 3.54Å; Q139-M448 VanDerWaalsContact OE1-CE 3.27Å; A140-M448 HydrophobicContact CB-CG 4.18Å; I143-M448 HydrophobicContact CD1-CE 4.36Å; V433-M448 HydrophobicContact CG1-CB 4.12Å; V433-M448 WeakPolarHBondContact CG1-O 3.4Å; A437-M448 HydrophobicContact CB-CB 3.74Å; A437-M448 HydrophobicContact CB-SD 4.37Å; E444-M448 WeakPolarHBondContact O-CG 3.46Å; E444-M448 PolarHBondContact O-N 2.93Å; M448-F451 WeakPolarHBondContact O-CB 3.4Å; M448-F451 PolarHBondContact O-N 2.88Å; M448-A452 PolarHBondContact O-N 3.16Å
449	R	95.3	Very high	92.7	Very high	96 Å²	96	43.4 Å²	43.4	36%	0.362	22%	0.221	S	C	.	.	H	α-helix	trans	-64.2	-48	176.1	-74.7	178.9	-179.8	-178.1	0.9	111.6	A437 D438 Q445 Y446 A447 F451 A452 D453	A437-R449 HydrophobicContact CB-CG 3.9Å; D438-R449 IonicContact OD1-CZ 3.28Å; D438-R449 IonicContact OD1-NE 3.41Å; D438-R449 IonicContact OD1-NH2 2.7Å; D438-R449 PolarHBondContact OD1-NH2 3.27Å; Q445-R449 WeakPolarHBondContact O-CG 3.4Å; Q445-R449 PolarHBondContact O-N 2.84Å; Y446-R449 PolarHBondContact O-N 2.89Å; A447-R449 PolarHBondContact O-N 3.23Å; R449-F451 PolarHBondContact O-N 2.99Å; R449-A452 WeakPolarHBondContact O-CA 3.35Å; R449-A452 WeakPolarHBondContact O-CB 3.47Å; R449-A452 PolarHBondContact O-N 3.25Å; R449-D453 VanDerWaalsContact O-CG 3.3Å; R449-D453 PolarHBondContact O-N 2.98Å
450	S	95.6	Very high	92.8	Very high	8 Å²	8	38.7 Å²	38.7	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-36.1	173.7	-76.7	0	0	0	0	113	L123 Y446 A447 D453 A454	L123-S450 WeakPolarHBondContact CD1-OG 3.49Å; L123-S450 WeakPolarHBondContact CG-OG 3.47Å; Y446-S450 WeakPolarHBondContact O-CB 3.49Å; Y446-S450 PolarHBondContact O-N 3.18Å; Y446-S450 PolarHBondContact O-OG 3.49Å; A447-S450 PolarHBondContact O-N 3.34Å; S450-D453 PolarHBondContact O-N 2.84Å; S450-A454 WeakPolarHBondContact O-CB 3.36Å; S450-A454 PolarHBondContact O-N 3.19Å
451	F	96.4	Very high	93.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-41.4	173.4	-170.7	-83.9	0	0	0	112.2	L116 Y137 A140 A141 A144 V433 A447 M448 R449 A454 L455 I517	L116-F451 HydrophobicContact CD1-CD2 4.48Å; L116-F451 HydrophobicContact CD1-CE2 4.11Å; L116-F451 HydrophobicContact CD2-CB 4.35Å; L116-F451 HydrophobicContact CD2-CD2 3.33Å; L116-F451 HydrophobicContact CD2-CE2 3.76Å; L116-F451 HydrophobicContact CD2-CG 4Å; Y137-F451 HydrophobicContact CD1-CB 3.98Å; Y137-F451 HydrophobicContact CD1-CD2 4.04Å; Y137-F451 HydrophobicContact CE1-CB 4.15Å; Y137-F451 HydrophobicContact CG-CD2 4.08Å; A140-F451 HydrophobicContact CB-CB 3.73Å; A140-F451 HydrophobicContact CB-CD1 3.62Å; A140-F451 HydrophobicContact CB-CD2 4Å; A140-F451 HydrophobicContact CB-CE1 4.2Å; A140-F451 HydrophobicContact CB-CG 3.5Å; A141-F451 HydrophobicContact CB-CE2 4.17Å; A141-F451 HydrophobicContact CB-CZ 3.92Å; A144-F451 HydrophobicContact CB-CE1 4.28Å; V433-F451 HydrophobicContact CG1-CD1 4.37Å; V433-F451 HydrophobicContact CG2-CD1 4.43Å; A447-F451 WeakPolarHBondContact O-CB 3.39Å; A447-F451 PolarHBondContact O-N 3.44Å; M448-F451 WeakPolarHBondContact O-CB 3.4Å; M448-F451 PolarHBondContact O-N 2.88Å; R449-F451 PolarHBondContact O-N 2.99Å; F451-A454 PolarHBondContact O-N 2.91Å; F451-L455 HydrophobicContact CD1-CD1 3.99Å; F451-L455 HydrophobicContact CD1-CG 4.27Å; F451-L455 HydrophobicContact CE1-CD1 3.78Å; F451-L455 HydrophobicContact CE1-CD2 4.38Å; F451-L455 HydrophobicContact CE1-CG 4.05Å; F451-L455 WeakPolarHBondContact O-CG 3.12Å; F451-L455 PolarHBondContact O-N 3.43Å; F451-L455 VanDerWaalsContact O-N 3.12Å; F451-I517 HydrophobicContact CZ-CG2 3.94Å
452	A	95.9	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-40.9	175.9	0	0	0	0	0	111.9	A430 V433 N434 M448 R449 A454 L455 E456	A430-A452 HydrophobicContact CB-CB 4.24Å; A430-A452 WeakPolarHBondContact CB-O 3.37Å; A430-A452 WeakPolarHBondContact O-CB 3.35Å; V433-A452 HydrophobicContact CB-CB 4.18Å; V433-A452 HydrophobicContact CG1-CB 4.07Å; N434-A452 WeakPolarHBondContact ND2-CB 3.28Å; N434-A452 WeakPolarHBondContact OD1-CB 3.45Å; M448-A452 PolarHBondContact O-N 3.16Å; R449-A452 WeakPolarHBondContact O-CA 3.35Å; R449-A452 WeakPolarHBondContact O-CB 3.47Å; R449-A452 PolarHBondContact O-N 3.25Å; A452-A454 VanDerWaalsContact C-N 3.34Å; A452-L455 WeakPolarHBondContact O-CB 3.47Å; A452-L455 PolarHBondContact O-N 3.42Å; A452-E456 PolarHBondContact O-N 2.91Å
453	D	95.4	Very high	93.9	Very high	66 Å²	66	29.5 Å²	29.5	35%	0.353	14%	0.14	S	C	.	.	H	α-helix	trans	-65	-38.3	176.2	-62.8	-27.2	0	0	0	111	R449 S450 L455 E456	R449-D453 VanDerWaalsContact O-CG 3.3Å; R449-D453 PolarHBondContact O-N 2.98Å; S450-D453 PolarHBondContact O-N 2.84Å; D453-L455 PolarHBondContact O-N 3.28Å; D453-E456 WeakPolarHBondContact O-CB 3.46Å; D453-E456 PolarHBondContact O-N 3.19Å; D453-E456 VanDerWaalsContact O-N 3.17Å
454	A	96.3	Very high	94.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.6	-35.2	174.5	0	0	0	0	0	113.3	A115 L116 E119 S450 F451 A452 E456 V457	A115-A454 HydrophobicContact CB-CB 3.99Å; L116-A454 HydrophobicContact CD2-CB 3.59Å; L116-A454 HydrophobicContact CG-CB 3.92Å; E119-A454 HydrophobicContact CG-CB 4.26Å; S450-A454 WeakPolarHBondContact O-CB 3.36Å; S450-A454 PolarHBondContact O-N 3.19Å; F451-A454 PolarHBondContact O-N 2.91Å; A452-A454 VanDerWaalsContact C-N 3.34Å; A454-E456 PolarHBondContact O-N 3.29Å; A454-V457 WeakPolarHBondContact O-CB 3.33Å; A454-V457 PolarHBondContact O-N 2.85Å
455	L	95.5	Very high	94.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-30.7	174.4	-74	172.1	0	0	0	112.2	L112 C429 A430 F451 A452 D453 V457 P459	L112-L455 HydrophobicContact CD1-CD2 3.93Å; L112-L455 HydrophobicContact CD2-CD2 4.46Å; C429-L455 HydrophobicContact CB-CD1 3.77Å; A430-L455 HydrophobicContact CB-CB 4.13Å; A430-L455 HydrophobicContact CB-CD1 4.38Å; F451-L455 HydrophobicContact CD1-CD1 3.99Å; F451-L455 HydrophobicContact CD1-CG 4.27Å; F451-L455 HydrophobicContact CE1-CD1 3.78Å; F451-L455 HydrophobicContact CE1-CD2 4.38Å; F451-L455 HydrophobicContact CE1-CG 4.05Å; F451-L455 WeakPolarHBondContact O-CG 3.12Å; F451-L455 PolarHBondContact O-N 3.43Å; F451-L455 VanDerWaalsContact O-N 3.12Å; A452-L455 WeakPolarHBondContact O-CB 3.47Å; A452-L455 PolarHBondContact O-N 3.42Å; D453-L455 PolarHBondContact O-N 3.28Å; L455-V457 PolarHBondContact O-N 3.47Å; L455-P459 WeakPolarHBondContact O-CD 3.4Å
456	E	94.8	Very high	94.4	Very high	25 Å²	25	26.3 Å²	26.3	12%	0.117	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13	177.6	-68.9	-169.8	177.5	0	0	113.1	A430 A452 D453 A454 P459 M460 M474 R478	A430-E456 HydrophobicContact CB-CG 4.07Å; A452-E456 PolarHBondContact O-N 2.91Å; D453-E456 WeakPolarHBondContact O-CB 3.46Å; D453-E456 PolarHBondContact O-N 3.19Å; D453-E456 VanDerWaalsContact O-N 3.17Å; A454-E456 PolarHBondContact O-N 3.29Å; E456-P459 VanDerWaalsContact O-CD 3.31Å; E456-P459 WeakPolarHBondContact O-CD 3.28Å; E456-P459 VanDerWaalsContact O-CG 3.26Å; E456-P459 WeakPolarHBondContact O-CG 3.46Å; E456-M460 VanDerWaalsContact O-CB 3.24Å; E456-M460 WeakPolarHBondContact O-CB 3.19Å; E456-M460 PolarHBondContact O-N 3.5Å; E456-M474 HydrophobicContact CB-CE 3.66Å; E456-M474 HydrophobicContact CG-CE 3.74Å; E456-R478 IonicContact OE1-CZ 2.96Å; E456-R478 VanDerWaalsContact OE1-CZ 3.28Å; E456-R478 IonicContact OE1-NE 3.07Å; E456-R478 IonicContact OE1-NH1 2.61Å; E456-R478 PolarHBondContact OE1-NH1 3.05Å; E456-R478 IonicContact OE2-NH1 3.67Å; E456-R478 PolarHBondContact OE2-NH1 3.49Å
457	V	94.9	Very high	94.2	Very high	34 Å²	34	25.2 Å²	25.2	21%	0.206	14%	0.143	C	C	.	.	H	α-helix	trans	-69.4	-34.8	178.2	177.4	0	0	0	0	112.5	V111 A115 A454 L455 M460 A461	V111-V457 HydrophobicContact CG1-CG1 4.19Å; A115-V457 HydrophobicContact CB-CB 3.86Å; A115-V457 HydrophobicContact CB-CG1 4.09Å; A115-V457 HydrophobicContact CB-CG2 3.72Å; A454-V457 WeakPolarHBondContact O-CB 3.33Å; A454-V457 PolarHBondContact O-N 2.85Å; L455-V457 PolarHBondContact O-N 3.47Å; V457-M460 PolarHBondContact O-N 3.07Å; V457-A461 VanDerWaalsContact O-CB 3.31Å; V457-A461 WeakPolarHBondContact O-CB 3.4Å; V457-A461 PolarHBondContact O-N 2.9Å
458	I	94.6	Very high	94.1	Very high	9 Å²	9	27.4 Å²	27.4	5%	0.046	15%	0.154	C	C	.	.	H	α-helix	trans	-59.2	-58	176.5	-67.9	173.2	0	0	0	111.1	L52 L112 E426 M460 A461 L462	L52-I458 HydrophobicContact CD2-CG2 4.23Å; L112-I458 HydrophobicContact CB-CD1 4.24Å; L112-I458 HydrophobicContact CD1-CD1 4.35Å; E426-I458 HydrophobicContact CG-CB 4.1Å; E426-I458 HydrophobicContact CG-CD1 3.86Å; E426-I458 HydrophobicContact CG-CG2 4.02Å; I458-M460 VanDerWaalsContact C-N 3.3Å; I458-M460 PolarHBondContact O-N 3.47Å; I458-A461 PolarHBondContact O-N 3.35Å; I458-L462 HydrophobicContact CG2-CD1 4.47Å; I458-L462 WeakPolarHBondContact O-CG 3.49Å; I458-L462 PolarHBondContact O-N 2.91Å
459	P	94.6	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-36.7	177.4	25.8	-34.7	0	0	0	111.7	I427 L455 E456 A461 L462 A463 M474 I491	I427-P459 HydrophobicContact CD1-CB 4.14Å; I427-P459 HydrophobicContact CD1-CG 4.27Å; I427-P459 HydrophobicContact CG1-CB 4.26Å; I427-P459 HydrophobicContact CG1-CG 3.87Å; L455-P459 WeakPolarHBondContact O-CD 3.4Å; E456-P459 VanDerWaalsContact O-CD 3.31Å; E456-P459 WeakPolarHBondContact O-CD 3.28Å; E456-P459 VanDerWaalsContact O-CG 3.26Å; E456-P459 WeakPolarHBondContact O-CG 3.46Å; P459-A461 VanDerWaalsContact C-N 3.32Å; P459-A461 PolarHBondContact O-N 3.41Å; P459-L462 WeakPolarHBondContact O-CB 3.4Å; P459-L462 PolarHBondContact O-N 2.9Å; P459-L462 VanDerWaalsContact O-N 3.16Å; P459-A463 PolarHBondContact O-N 3.49Å; P459-M474 HydrophobicContact CB-CE 4.33Å; P459-M474 HydrophobicContact CB-SD 3.44Å; P459-M474 WeakPolarHBondContact CB-SD 3.4Å; P459-M474 HydrophobicContact CG-CE 3.72Å; P459-M474 HydrophobicContact CG-SD 3.5Å; P459-M474 VanDerWaalsContact CG-SD 3.5Å; P459-I491 HydrophobicContact CB-CD1 3.38Å; P459-I491 HydrophobicContact CB-CG1 4.37Å; P459-I491 WeakPolarHBondContact O-CD1 3.47Å
460	M	94.3	Very high	93.8	Very high	70 Å²	70	27.8 Å²	27.8	35%	0.345	17%	0.165	S	C	.	.	H	α-helix	trans	-58.1	-43.1	174.7	-166.8	-178.4	-64.8	0	0	112.7	E456 V457 I458 A463 E464 M474	E456-M460 VanDerWaalsContact O-CB 3.24Å; E456-M460 WeakPolarHBondContact O-CB 3.19Å; E456-M460 PolarHBondContact O-N 3.5Å; V457-M460 PolarHBondContact O-N 3.07Å; I458-M460 VanDerWaalsContact C-N 3.3Å; I458-M460 PolarHBondContact O-N 3.47Å; M460-A463 PolarHBondContact O-N 3.2Å; M460-E464 WeakPolarHBondContact O-CB 3.48Å; M460-E464 PolarHBondContact O-N 3.45Å; M460-M474 HydrophobicContact CB-CG 4.5Å
461	A	93.7	Very high	93.6	Very high	1 Å²	1	33 Å²	33	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-39.1	176.2	0	0	0	0	0	112.3	R49 L52 V457 I458 P459 E464 N465	R49-A461 HydrophobicContact CG-CB 3.55Å; L52-A461 HydrophobicContact CD2-CB 3.96Å; V457-A461 VanDerWaalsContact O-CB 3.31Å; V457-A461 WeakPolarHBondContact O-CB 3.4Å; V457-A461 PolarHBondContact O-N 2.9Å; I458-A461 PolarHBondContact O-N 3.35Å; P459-A461 VanDerWaalsContact C-N 3.32Å; P459-A461 PolarHBondContact O-N 3.41Å; A461-E464 PolarHBondContact O-N 3.16Å; A461-N465 WeakPolarHBondContact O-CB 3.49Å; A461-N465 PolarHBondContact O-N 3.01Å; A461-N465 PolarHBondContact O-ND2 2.82Å
462	L	93	Very high	93.4	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.073	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-43.3	174.8	-70.8	174.7	0	0	0	112.3	L52 I458 P459 S466	L52-L462 HydrophobicContact CD2-CD2 4.23Å; L52-L462 HydrophobicContact CD2-CG 4.24Å; L52-L462 HydrophobicContact CG-CD2 4.02Å; I458-L462 HydrophobicContact CG2-CD1 4.47Å; I458-L462 WeakPolarHBondContact O-CG 3.49Å; I458-L462 PolarHBondContact O-N 2.91Å; P459-L462 WeakPolarHBondContact O-CB 3.4Å; P459-L462 PolarHBondContact O-N 2.9Å; P459-L462 VanDerWaalsContact O-N 3.16Å; L462-S466 WeakPolarHBondContact O-CB 3.3Å; L462-S466 PolarHBondContact O-N 3.5Å; L462-S466 VanDerWaalsContact O-N 3.13Å; L462-S466 PolarHBondContact O-OG 3.28Å
463	A	93.6	Very high	93.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-44.2	175.8	0	0	0	0	0	111.9	P459 M460 S466 G467 L468 I491	P459-A463 PolarHBondContact O-N 3.49Å; M460-A463 PolarHBondContact O-N 3.2Å; A463-S466 CarbonylContact O-C 3.58Å; A463-S466 PolarHBondContact O-N 2.99Å; A463-G467 PolarHBondContact O-N 3.4Å; A463-L468 HydrophobicContact CB-CB 4.2Å; A463-L468 WeakPolarHBondContact O-CB 3.25Å; A463-L468 PolarHBondContact O-N 3.11Å; A463-I491 HydrophobicContact CB-CD1 4.08Å; A463-I491 HydrophobicContact CB-CG2 4.19Å
464	E	92.6	Very high	92.9	Very high	87 Å²	87	37.4 Å²	37.4	41%	0.407	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-46.7	179.1	-173.8	-177.2	-157.3	0	0	111.9	R49 M460 A461 S466 G467	R49-E464 IonicContact CZ-OE1 2.77Å; R49-E464 IonicContact CZ-OE2 2.77Å; R49-E464 IonicContact NE-OE2 3.21Å; R49-E464 PolarHBondContact NE-OE2 2.94Å; R49-E464 IonicContact NH2-OE1 2.79Å; R49-E464 PolarHBondContact NH2-OE1 3.4Å; R49-E464 IonicContact NH2-OE2 3.38Å; R49-E464 PolarHBondContact NH2-OE2 3.4Å; M460-E464 WeakPolarHBondContact O-CB 3.48Å; M460-E464 PolarHBondContact O-N 3.45Å; A461-E464 PolarHBondContact O-N 3.16Å; E464-S466 PolarHBondContact O-N 2.8Å; E464-G467 PolarHBondContact O-N 3.01Å
465	N	92.4	Very high	92.7	Very high	34 Å²	34	41.6 Å²	41.6	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-25.6	177.3	-66.3	-15.9	0	0	0	112.2	R49 L52 N55 A461 G467	R49-N465 PolarHBondContact O-ND2 3.23Å; L52-N465 PolarHBondContact O-ND2 3.48Å; N55-N465 WeakPolarHBondContact CB-O 2.97Å; A461-N465 WeakPolarHBondContact O-CB 3.49Å; A461-N465 PolarHBondContact O-N 3.01Å; A461-N465 PolarHBondContact O-ND2 2.82Å; N465-G467 VanDerWaalsContact C-N 3.3Å
466	S	90.4	Very high	92.5	Very high	10 Å²	10	46.4 Å²	46.4	7%	0.07	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.7	175.1	-52.7	0	0	0	0	113.4	N55 L462 A463 E464 L468 C493 H495	N55-S466 WeakPolarHBondContact ND2-CB 3.36Å; N55-S466 PolarHBondContact ND2-OG 3.36Å; L462-S466 WeakPolarHBondContact O-CB 3.3Å; L462-S466 PolarHBondContact O-N 3.5Å; L462-S466 VanDerWaalsContact O-N 3.13Å; L462-S466 PolarHBondContact O-OG 3.28Å; A463-S466 CarbonylContact O-C 3.58Å; A463-S466 PolarHBondContact O-N 2.99Å; E464-S466 PolarHBondContact O-N 2.8Å; S466-L468 PolarHBondContact O-N 3.05Å; S466-C493 WeakPolarHBondContact OG-CA 3.49Å; S466-C493 WeakPolarHBondContact OG-CB 3.44Å; S466-H495 PolarHBondContact O-CE1 2.85Å; S466-H495 VanDerWaalsContact O-CE1 3.24Å; S466-H495 PolarHBondContact O-NE2 3.32Å
467	G	90.4	Very high	92.3	Very high	71 Å²	71	45.2 Å²	45.2	73%	0.732	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	12.8	-179.4	0	0	0	0	0	114.5	A463 E464 N465	A463-G467 PolarHBondContact O-N 3.4Å; E464-G467 PolarHBondContact O-N 3.01Å; N465-G467 VanDerWaalsContact C-N 3.3Å
468	L	91.3	Very high	92.1	Very high	50 Å²	50	47.7 Å²	47.7	26%	0.262	26%	0.259	S	S	.	.	S	Bend	trans	-83.5	154.9	175	-61.8	176.2	0	0	0	110.3	A463 S466 S470 T473 I491 D492	A463-L468 HydrophobicContact CB-CB 4.2Å; A463-L468 WeakPolarHBondContact O-CB 3.25Å; A463-L468 PolarHBondContact O-N 3.11Å; S466-L468 PolarHBondContact O-N 3.05Å; L468-S470 PolarHBondContact O-N 3.06Å; L468-T473 HydrophobicContact CD1-CG2 4.31Å; L468-I491 HydrophobicContact CD1-CG2 4.21Å; L468-D492 WeakPolarHBondContact CD1-O 3.31Å
469	N	93.2	Very high	91.9	Very high	78 Å²	78	49.8 Å²	49.8	42%	0.417	28%	0.277	S	S	.	.			trans	-70.9	107.7	169.9	-174.3	-36.9	0	0	0	108.8	I471 Q472 T473	N469-I471 VanDerWaalsContact C-N 3.33Å; N469-I471 PolarHBondContact O-N 2.87Å; N469-I471 PolarHBondContact OD1-N 3.3Å; N469-Q472 HydrophobicContact CB-CB 4.1Å; N469-Q472 HydrophobicContact CB-CG 4.22Å; N469-Q472 PolarHBondContact O-N 3.44Å; N469-Q472 PolarHBondContact OD1-N 3.35Å; N469-T473 WeakPolarHBondContact O-CB 3.35Å; N469-T473 PolarHBondContact O-N 2.74Å; N469-T473 PolarHBondContact O-OG1 3.04Å
470	S	91.4	Very high	91.8	Very high	26 Å²	26	53.8 Å²	53.8	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-41.9	-172.4	64.1	0	0	0	0	112.8	L468 M474	L468-S470 PolarHBondContact O-N 3.06Å; S470-M474 WeakPolarHBondContact O-CB 3.23Å; S470-M474 WeakPolarHBondContact O-CG 3.5Å; S470-M474 PolarHBondContact O-N 3.23Å
471	I	92.1	Very high	91.6	Very high	117 Å²	117	50.9 Å²	50.9	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-67.9	-45.9	-179.3	-58.3	173.3	0	0	0	111	N469 T475	N469-I471 VanDerWaalsContact C-N 3.33Å; N469-I471 PolarHBondContact O-N 2.87Å; N469-I471 PolarHBondContact OD1-N 3.3Å; I471-T475 WeakPolarHBondContact O-CB 3.46Å; I471-T475 PolarHBondContact O-N 3Å; I471-T475 PolarHBondContact O-OG1 2.75Å
472	Q	91.5	Very high	91.5	Very high	132 Å²	132	55.3 Å²	55.3	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-65.1	-48	-178.8	-69.9	179.5	-19.8	0	0	111.2	N469 M474 T475 E476	N469-Q472 HydrophobicContact CB-CB 4.1Å; N469-Q472 HydrophobicContact CB-CG 4.22Å; N469-Q472 PolarHBondContact O-N 3.44Å; N469-Q472 PolarHBondContact OD1-N 3.35Å; Q472-M474 PolarHBondContact O-N 2.87Å; Q472-T475 PolarHBondContact O-N 3Å; Q472-E476 PolarHBondContact O-N 3.1Å
473	T	90.3	Very high	91.3	Very high	19 Å²	19	60.3 Å²	60.3	12%	0.117	34%	0.336	C	S	.	.	H	α-helix	trans	-62.6	-45.2	-178.6	-47.2	0	0	0	0	111	L468 N469 T475 E476 V477 I491	L468-T473 HydrophobicContact CD1-CG2 4.31Å; N469-T473 WeakPolarHBondContact O-CB 3.35Å; N469-T473 PolarHBondContact O-N 2.74Å; N469-T473 PolarHBondContact O-OG1 3.04Å; T473-T475 PolarHBondContact O-N 3.06Å; T473-E476 PolarHBondContact O-N 3.01Å; T473-V477 HydrophobicContact CG2-CG2 4.49Å; T473-V477 WeakPolarHBondContact O-CG2 3.16Å; T473-V477 PolarHBondContact O-N 3.43Å; T473-I491 HydrophobicContact CG2-CG1 4.18Å; T473-I491 HydrophobicContact CG2-CG2 4.22Å
474	M	90.8	Very high	91	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.039	36%	0.357	C	S	.	.	H	α-helix	trans	-59.2	-46.3	175.6	-79.5	-65.1	-63.1	0	0	112.3	I427 E456 P459 M460 S470 Q472 E476 V477 R478 I491	I427-M474 HydrophobicContact CD1-CE 4.25Å; I427-M474 HydrophobicContact CD1-SD 4.07Å; I427-M474 HydrophobicContact CG1-CE 4.07Å; I427-M474 HydrophobicContact CG1-SD 4.44Å; E456-M474 HydrophobicContact CB-CE 3.66Å; E456-M474 HydrophobicContact CG-CE 3.74Å; P459-M474 HydrophobicContact CB-CE 4.33Å; P459-M474 HydrophobicContact CB-SD 3.44Å; P459-M474 WeakPolarHBondContact CB-SD 3.4Å; P459-M474 HydrophobicContact CG-CE 3.72Å; P459-M474 HydrophobicContact CG-SD 3.5Å; P459-M474 VanDerWaalsContact CG-SD 3.5Å; M460-M474 HydrophobicContact CB-CG 4.5Å; S470-M474 WeakPolarHBondContact O-CB 3.23Å; S470-M474 WeakPolarHBondContact O-CG 3.5Å; S470-M474 PolarHBondContact O-N 3.23Å; Q472-M474 PolarHBondContact O-N 2.87Å; M474-E476 VanDerWaalsContact C-N 3.33Å; M474-E476 PolarHBondContact O-N 3.4Å; M474-V477 PolarHBondContact O-N 3.39Å; M474-R478 WeakPolarHBondContact O-CB 3.27Å; M474-R478 PolarHBondContact O-N 2.92Å; M474-I491 HydrophobicContact SD-CD1 4.14Å
475	T	91.6	Very high	90.6	Very high	88 Å²	88	65.6 Å²	65.6	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-42.4	-179.2	-56.3	0	0	0	0	111.1	I471 Q472 T473 A479	I471-T475 WeakPolarHBondContact O-CB 3.46Å; I471-T475 PolarHBondContact O-N 3Å; I471-T475 PolarHBondContact O-OG1 2.75Å; Q472-T475 PolarHBondContact O-N 3Å; T473-T475 PolarHBondContact O-N 3.06Å; T475-A479 VanDerWaalsContact O-CB 3.3Å; T475-A479 WeakPolarHBondContact O-CB 3.49Å; T475-A479 PolarHBondContact O-N 3.1Å
476	E	90.9	Very high	90.2	Very high	102 Å²	102	66.3 Å²	66.3	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-53.8	177.6	-173.1	-173.5	156.2	0	0	111.7	Q472 T473 M474 R478 A479 R480	Q472-E476 PolarHBondContact O-N 3.1Å; T473-E476 PolarHBondContact O-N 3.01Å; M474-E476 VanDerWaalsContact C-N 3.33Å; M474-E476 PolarHBondContact O-N 3.4Å; E476-R478 VanDerWaalsContact C-N 3.32Å; E476-R478 PolarHBondContact O-N 3.21Å; E476-A479 PolarHBondContact O-N 3.45Å; E476-R480 WeakPolarHBondContact O-CG 3.32Å; E476-R480 PolarHBondContact O-N 3Å
477	V	91.1	Very high	89.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61.9	-42.5	-178.1	176.2	0	0	0	0	110.6	I427 T473 M474 R480 Q481 L489 G490	I427-V477 HydrophobicContact CD1-CB 4.26Å; I427-V477 HydrophobicContact CD1-CG1 3.65Å; T473-V477 HydrophobicContact CG2-CG2 4.49Å; T473-V477 WeakPolarHBondContact O-CG2 3.16Å; T473-V477 PolarHBondContact O-N 3.43Å; M474-V477 PolarHBondContact O-N 3.39Å; V477-R480 PolarHBondContact O-N 2.94Å; V477-Q481 HydrophobicContact CG1-CG 4.43Å; V477-Q481 WeakPolarHBondContact O-CG 3.29Å; V477-Q481 PolarHBondContact O-N 2.88Å; V477-L489 HydrophobicContact CG1-CB 4.37Å; V477-L489 VanDerWaalsContact CG1-O 3.31Å; V477-L489 WeakPolarHBondContact CG1-O 3.28Å; V477-G490 WeakPolarHBondContact CG2-O 3.35Å
478	R	90.4	Very high	89.8	Confident	86 Å²	86	64.5 Å²	64.5	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-45.7	176.4	-175.1	174.8	175.2	173.2	-3	112	I427 L431 E456 M474 E476 R480 Q481 V482	I427-R478 HydrophobicContact CG2-CB 4.33Å; I427-R478 HydrophobicContact CG2-CG 4.46Å; L431-R478 HydrophobicContact CD2-CG 4.07Å; E456-R478 IonicContact OE1-CZ 2.96Å; E456-R478 VanDerWaalsContact OE1-CZ 3.28Å; E456-R478 IonicContact OE1-NE 3.07Å; E456-R478 IonicContact OE1-NH1 2.61Å; E456-R478 PolarHBondContact OE1-NH1 3.05Å; E456-R478 IonicContact OE2-NH1 3.67Å; E456-R478 PolarHBondContact OE2-NH1 3.49Å; M474-R478 WeakPolarHBondContact O-CB 3.27Å; M474-R478 PolarHBondContact O-N 2.92Å; E476-R478 VanDerWaalsContact C-N 3.32Å; E476-R478 PolarHBondContact O-N 3.21Å; R478-R480 VanDerWaalsContact C-N 3.31Å; R478-R480 PolarHBondContact O-N 3.48Å; R478-Q481 PolarHBondContact O-N 3.13Å; R478-V482 WeakPolarHBondContact O-CG2 3.39Å; R478-V482 PolarHBondContact O-N 3.31Å; R478-V482 VanDerWaalsContact O-N 3.17Å
479	A	91.3	Very high	89.8	Confident	52 Å²	52	62.3 Å²	62.3	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-40.1	177.6	0	0	0	0	0	111.8	T475 E476 V482 T483	T475-A479 VanDerWaalsContact O-CB 3.3Å; T475-A479 WeakPolarHBondContact O-CB 3.49Å; T475-A479 PolarHBondContact O-N 3.1Å; E476-A479 PolarHBondContact O-N 3.45Å; A479-V482 PolarHBondContact O-N 2.99Å; A479-T483 WeakPolarHBondContact O-CB 3.22Å; A479-T483 PolarHBondContact O-N 3.4Å; A479-T483 PolarHBondContact O-OG1 3.47Å
480	R	90.5	Very high	89.7	Confident	84 Å²	84	58.6 Å²	58.6	32%	0.317	32%	0.32	S	S	.	.	H	α-helix	trans	-69.5	-43	177.8	-68	-173.8	67	-174	-4.9	112.6	E476 V477 R478 V482 T483 E484 L489	E476-R480 WeakPolarHBondContact O-CG 3.32Å; E476-R480 PolarHBondContact O-N 3Å; V477-R480 PolarHBondContact O-N 2.94Å; R478-R480 VanDerWaalsContact C-N 3.31Å; R478-R480 PolarHBondContact O-N 3.48Å; R480-V482 VanDerWaalsContact C-N 3.25Å; R480-V482 PolarHBondContact O-N 2.88Å; R480-T483 PolarHBondContact O-N 2.95Å; R480-E484 IonicContact CZ-OE1 3.4Å; R480-E484 IonicContact NE-OE1 2.91Å; R480-E484 PolarHBondContact NE-OE1 3.07Å; R480-E484 IonicContact NH2-OE1 2.98Å; R480-E484 PolarHBondContact NH2-OE1 3.39Å; R480-E484 IonicContact NH2-OE2 2.94Å; R480-E484 WeakPolarHBondContact O-CB 3.3Å; R480-E484 PolarHBondContact O-N 3.21Å; R480-L489 HydrophobicContact CB-CD1 3.67Å
481	Q	90.9	Very high	89.7	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-57.1	-40.1	174.8	-78.1	-158.6	-1	0	0	111.9	A424 I427 L431 V477 R478 S485 L489	A424-Q481 PolarHBondContact O-NE2 3.38Å; I427-Q481 VanDerWaalsContact CG2-OE1 3.25Å; L431-Q481 HydrophobicContact CD1-CB 4.05Å; V477-Q481 HydrophobicContact CG1-CG 4.43Å; V477-Q481 WeakPolarHBondContact O-CG 3.29Å; V477-Q481 PolarHBondContact O-N 2.88Å; R478-Q481 PolarHBondContact O-N 3.13Å; Q481-S485 WeakPolarHBondContact O-CA 3.5Å; Q481-S485 PolarHBondContact O-N 3.17Å; Q481-L489 HydrophobicContact CG-CB 3.95Å; Q481-L489 PolarHBondContact NE2-O 3.27Å
482	V	91.1	Very high	89.6	Confident	94 Å²	94	52.3 Å²	52.3	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-70.3	-42.4	177	174.7	0	0	0	0	112	L431 R478 A479 R480	L431-V482 HydrophobicContact CD1-CG2 3.74Å; L431-V482 HydrophobicContact CD2-CG2 3.76Å; L431-V482 HydrophobicContact CG-CG2 4.42Å; R478-V482 WeakPolarHBondContact O-CG2 3.39Å; R478-V482 PolarHBondContact O-N 3.31Å; R478-V482 VanDerWaalsContact O-N 3.17Å; A479-V482 PolarHBondContact O-N 2.99Å; R480-V482 VanDerWaalsContact C-N 3.25Å; R480-V482 PolarHBondContact O-N 2.88Å
483	T	90.3	Very high	89.4	Confident	120 Å²	120	46.4 Å²	46.4	74%	0.736	26%	0.259	S	S	*	.	H	α-helix	trans	-73	-43.5	-175.6	-54.1	0	0	0	0	112.2	A479 R480	A479-T483 WeakPolarHBondContact O-CB 3.22Å; A479-T483 PolarHBondContact O-N 3.4Å; A479-T483 PolarHBondContact O-OG1 3.47Å; R480-T483 PolarHBondContact O-N 2.95Å
484	E	86.5	Confident	89.1	Confident	94 Å²	94	50 Å²	50	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-90.6	-11.7	-176.2	-59.3	177.4	-148.8	0	0	112.1	R480 N486	R480-E484 IonicContact CZ-OE1 3.4Å; R480-E484 IonicContact NE-OE1 2.91Å; R480-E484 PolarHBondContact NE-OE1 3.07Å; R480-E484 IonicContact NH2-OE1 2.98Å; R480-E484 PolarHBondContact NH2-OE1 3.39Å; R480-E484 IonicContact NH2-OE2 2.94Å; R480-E484 WeakPolarHBondContact O-CB 3.3Å; R480-E484 PolarHBondContact O-N 3.21Å; E484-N486 HydrophobicContact CB-CB 4.16Å; E484-N486 PolarHBondContact O-N 3.24Å; E484-N486 VanDerWaalsContact O-N 3.11Å
485	S	84.4	Confident	88.9	Confident	103 Å²	103	54.7 Å²	54.7	72%	0.72	30%	0.298	S	S	*	.			trans	51.2	28.8	-171.7	-170.9	0	0	0	0	113	Q481	Q481-S485 WeakPolarHBondContact O-CA 3.5Å; Q481-S485 PolarHBondContact O-N 3.17Å
486	N	84.4	Confident	88.4	Confident	49 Å²	49	55 Å²	55	26%	0.262	30%	0.297	S	S	.	.			trans	-102.4	110.6	-177	-174.6	0	0	0	0	110.3	E484 A488 L489	E484-N486 HydrophobicContact CB-CB 4.16Å; E484-N486 PolarHBondContact O-N 3.24Å; E484-N486 VanDerWaalsContact O-N 3.11Å; N486-A488 PolarHBondContact O-N 3.04Å; N486-A488 WeakPolarHBondContact OD1-CB 3.38Å; N486-A488 PolarHBondContact OD1-N 3.41Å; N486-L489 HydrophobicContact CB-CD1 4.28Å; N486-L489 HydrophobicContact CB-CG 4.27Å
487	P	83.6	Confident	88	Confident	41 Å²	41	57.6 Å²	57.6	27%	0.266	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3	-178.8	34.1	-36.8	0	0	0	113.6	I151 A424 A428 L489	I151-P487 HydrophobicContact CB-CB 4.36Å; I151-P487 HydrophobicContact CB-CG 4.42Å; I151-P487 HydrophobicContact CD1-CB 3.88Å; I151-P487 HydrophobicContact CG1-CB 3.87Å; I151-P487 HydrophobicContact CG1-CG 4.14Å; I151-P487 HydrophobicContact CG2-CB 3.6Å; I151-P487 HydrophobicContact CG2-CG 3.7Å; A424-P487 WeakPolarHBondContact CB-O 3.33Å; A428-P487 HydrophobicContact CB-CB 4.14Å; P487-L489 VanDerWaalsContact C-N 3.32Å
488	A	87.9	Confident	87.6	Confident	3 Å²	3	60 Å²	60	3%	0.025	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4	178.6	0	0	0	0	0	113.6	Y420 N486 G490 M501 K502	Y420-A488 HydrophobicContact CD2-CB 3.56Å; Y420-A488 HydrophobicContact CE2-CB 4Å; Y420-A488 HydrophobicContact CG-CB 3.98Å; N486-A488 PolarHBondContact O-N 3.04Å; N486-A488 WeakPolarHBondContact OD1-CB 3.38Å; N486-A488 PolarHBondContact OD1-N 3.41Å; A488-G490 PolarHBondContact O-N 2.86Å; A488-M501 VanDerWaalsContact O-CB 3.22Å; A488-M501 WeakPolarHBondContact O-CB 3.48Å; A488-M501 VanDerWaalsContact O-CG 3.3Å; A488-M501 WeakPolarHBondContact O-CG 3.42Å; A488-M501 PolarHBondContact O-N 3.44Å; A488-K502 HydrophobicContact CB-CB 4.37Å
489	L	91.2	Very high	87.4	Confident	4 Å²	4	57 Å²	57	2%	0.021	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-80	114.8	-179.8	-61.1	174.6	0	0	0	110.5	A424 V477 R480 Q481 N486 P487 N499 D500	A424-L489 WeakPolarHBondContact CA-O 3.24Å; A424-L489 VanDerWaalsContact CB-O 3.28Å; A424-L489 WeakPolarHBondContact CB-O 3.49Å; V477-L489 HydrophobicContact CG1-CB 4.37Å; V477-L489 VanDerWaalsContact CG1-O 3.31Å; V477-L489 WeakPolarHBondContact CG1-O 3.28Å; R480-L489 HydrophobicContact CB-CD1 3.67Å; Q481-L489 HydrophobicContact CG-CB 3.95Å; Q481-L489 PolarHBondContact NE2-O 3.27Å; N486-L489 HydrophobicContact CB-CD1 4.28Å; N486-L489 HydrophobicContact CB-CG 4.27Å; P487-L489 VanDerWaalsContact C-N 3.32Å; L489-N499 CarbonylContact C-O 3.5Å; L489-N499 VanDerWaalsContact CA-O 3.29Å; L489-N499 WeakPolarHBondContact CA-O 3.5Å; L489-D500 HydrophobicContact CD2-CB 4.23Å
490	G	91.2	Very high	87.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.			trans	-124.7	-163	-180	0	0	0	0	0	112.4	V477 A488 N499	V477-G490 WeakPolarHBondContact CG2-O 3.35Å; A488-G490 PolarHBondContact O-N 2.86Å; G490-N499 PolarHBondContact N-O 2.92Å; G490-N499 WeakPolarHBondContact O-CB 3.4Å
491	I	91.3	Very high	87.3	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.289	C	S	.	.			trans	-92.3	129.2	178.4	-66.3	172.3	0	0	0	109.7	G422 P459 A463 L468 T473 M474 C493 M501	G422-I491 PolarHBondContact O-N 3.01Å; P459-I491 HydrophobicContact CB-CD1 3.38Å; P459-I491 HydrophobicContact CB-CG1 4.37Å; P459-I491 WeakPolarHBondContact O-CD1 3.47Å; A463-I491 HydrophobicContact CB-CD1 4.08Å; A463-I491 HydrophobicContact CB-CG2 4.19Å; L468-I491 HydrophobicContact CD1-CG2 4.21Å; T473-I491 HydrophobicContact CG2-CG1 4.18Å; T473-I491 HydrophobicContact CG2-CG2 4.22Å; M474-I491 HydrophobicContact SD-CD1 4.14Å; I491-C493 PolarHBondContact O-N 3.39Å; I491-C493 VanDerWaalsContact O-N 3.09Å; I491-M501 WeakPolarHBondContact O-CE 3.21Å
492	D	89.9	Confident	87.1	Confident	10 Å²	10	55.7 Å²	55.7	5%	0.053	31%	0.307	C	S	.	.			trans	-78.5	89.2	174.4	-178.4	15.5	0	0	0	111.2	L468 L494 H495 L496 N497 T498 Q504	L468-D492 WeakPolarHBondContact CD1-O 3.31Å; D492-L494 VanDerWaalsContact C-N 3.28Å; D492-L494 PolarHBondContact O-N 3.45Å; D492-L494 PolarHBondContact OD1-N 3.03Å; D492-H495 PolarHBondContact OD1-N 3.32Å; D492-H495 VanDerWaalsContact OD1-N 3.07Å; D492-H495 WeakPolarHBondContact OD2-CA 3.26Å; D492-L496 PolarHBondContact OD1-N 2.82Å; D492-L496 VanDerWaalsContact OD1-N 3.16Å; D492-L496 PolarHBondContact OD2-N 3.31Å; D492-N497 PolarHBondContact OD2-N 3.26Å; D492-T498 PolarHBondContact OD2-N 3.38Å; D492-Q504 VanDerWaalsContact CG-NE2 3.29Å; D492-Q504 PolarHBondContact OD1-NE2 3.31Å
493	C	86.9	Confident	87	Confident	8 Å²	8	57.2 Å²	57.2	5%	0.054	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.8	176.5	-59.3	0	0	0	0	113	P54 N55 S466 I491	P54-C493 HydrophobicContact CG-CB 3.53Å; N55-C493 PolarHBondContact ND2-O 3.33Å; S466-C493 WeakPolarHBondContact OG-CA 3.49Å; S466-C493 WeakPolarHBondContact OG-CB 3.44Å; I491-C493 PolarHBondContact O-N 3.39Å; I491-C493 VanDerWaalsContact O-N 3.09Å
494	L	85.9	Confident	86.8	Confident	93 Å²	93	52.7 Å²	52.7	49%	0.487	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	0.9	-174.5	-63.5	177.8	0	0	0	113.3	P54 D492 L496	P54-L494 HydrophobicContact CB-CD2 4.45Å; P54-L494 HydrophobicContact CG-CD2 4.49Å; D492-L494 VanDerWaalsContact C-N 3.28Å; D492-L494 PolarHBondContact O-N 3.45Å; D492-L494 PolarHBondContact OD1-N 3.03Å; L494-L496 VanDerWaalsContact C-N 3.27Å; L494-L496 HydrophobicContact CB-CD1 3.93Å; L494-L496 HydrophobicContact CB-CG 3.85Å; L494-L496 HydrophobicContact CD1-CD1 4.11Å; L494-L496 PolarHBondContact O-N 3.04Å
495	H	85.8	Confident	86.9	Confident	107 Å²	107	52.3 Å²	52.3	50%	0.495	28%	0.276	S	S	.	.			trans	56.2	38.4	-176.7	-51.9	-65	0	0	0	113.5	S466 D492 N497	S466-H495 PolarHBondContact O-CE1 2.85Å; S466-H495 VanDerWaalsContact O-CE1 3.24Å; S466-H495 PolarHBondContact O-NE2 3.32Å; D492-H495 PolarHBondContact OD1-N 3.32Å; D492-H495 VanDerWaalsContact OD1-N 3.07Å; D492-H495 WeakPolarHBondContact OD2-CA 3.26Å; H495-N497 PolarHBondContact O-N 2.89Å
496	L	81.7	Confident	87.1	Confident	96 Å²	96	48.7 Å²	48.7	50%	0.503	25%	0.25	S	C	.	.			trans	-82	2.5	176.5	-62.5	172.1	0	0	0	113.2	D492 L494 T498 Q504	D492-L496 PolarHBondContact OD1-N 2.82Å; D492-L496 VanDerWaalsContact OD1-N 3.16Å; D492-L496 PolarHBondContact OD2-N 3.31Å; L494-L496 VanDerWaalsContact C-N 3.27Å; L494-L496 HydrophobicContact CB-CD1 3.93Å; L494-L496 HydrophobicContact CB-CG 3.85Å; L494-L496 HydrophobicContact CD1-CD1 4.11Å; L494-L496 PolarHBondContact O-N 3.04Å; L496-T498 PolarHBondContact O-N 3.39Å; L496-Q504 HydrophobicContact CD1-CG 4.38Å
497	N	81.8	Confident	87.4	Confident	155 Å²	155	46.5 Å²	46.5	83%	0.829	24%	0.238	S	C	*	.	S	Bend	trans	58.2	26.8	-176.9	-62.6	-48.8	0	0	0	113.8	D492 H495	D492-N497 PolarHBondContact OD2-N 3.26Å; H495-N497 PolarHBondContact O-N 2.89Å
498	T	82.9	Confident	87.7	Confident	50 Å²	50	46.5 Å²	46.5	31%	0.307	23%	0.234	S	C	.	.			trans	-135.7	119.2	-178.4	47.4	0	0	0	0	110.1	D492 L496 D500 Q504	D492-T498 PolarHBondContact OD2-N 3.38Å; L496-T498 PolarHBondContact O-N 3.39Å; T498-D500 VanDerWaalsContact C-N 3.31Å; T498-D500 PolarHBondContact O-N 3.34Å; T498-Q504 PolarHBondContact O-NE2 3.26Å; T498-Q504 PolarHBondContact OG1-NE2 3.27Å
499	N	85.1	Confident	87.8	Confident	23 Å²	23	46.7 Å²	46.7	12%	0.123	24%	0.235	C	C	.	.			trans	-87.7	0.6	-179.2	-65	-13.6	0	0	0	113	L489 G490 M501	L489-N499 CarbonylContact C-O 3.5Å; L489-N499 VanDerWaalsContact CA-O 3.29Å; L489-N499 WeakPolarHBondContact CA-O 3.5Å; G490-N499 PolarHBondContact N-O 2.92Å; G490-N499 WeakPolarHBondContact O-CB 3.4Å; N499-M501 WeakPolarHBondContact O-CE 3.44Å; N499-M501 PolarHBondContact O-N 2.7Å
500	D	89.7	Confident	87.9	Confident	25 Å²	25	46.5 Å²	46.5	13%	0.134	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-86	106.6	-177.5	-172.6	-5.1	0	0	0	111	L489 T498 K502 Q503 Q504	L489-D500 HydrophobicContact CD2-CB 4.23Å; T498-D500 VanDerWaalsContact C-N 3.31Å; T498-D500 PolarHBondContact O-N 3.34Å; D500-K502 PolarHBondContact O-N 3.25Å; D500-K502 VanDerWaalsContact OD1-CB 3.27Å; D500-K502 WeakPolarHBondContact OD1-CB 3.31Å; D500-K502 PolarHBondContact OD1-N 3.45Å; D500-Q503 HydrophobicContact CB-CB 4.25Å; D500-Q503 HydrophobicContact CB-CG 4.09Å; D500-Q503 PolarHBondContact O-N 3Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.4Å; D500-Q503 PolarHBondContact OD2-NE2 2.65Å; D500-Q504 WeakPolarHBondContact O-CG 3.43Å; D500-Q504 PolarHBondContact O-N 3.2Å
501	M	90.1	Very high	87.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.9	-178.2	-62.3	-62.6	102.1	0	0	112.5	Y420 G421 A424 A488 I491 N499 Q504 H505 V506	Y420-M501 HydrophobicContact CD1-CB 4.33Å; Y420-M501 HydrophobicContact CG-CB 4.41Å; G421-M501 WeakPolarHBondContact O-CG 3.45Å; A424-M501 HydrophobicContact CB-CG 4.05Å; A488-M501 VanDerWaalsContact O-CB 3.22Å; A488-M501 WeakPolarHBondContact O-CB 3.48Å; A488-M501 VanDerWaalsContact O-CG 3.3Å; A488-M501 WeakPolarHBondContact O-CG 3.42Å; A488-M501 PolarHBondContact O-N 3.44Å; I491-M501 WeakPolarHBondContact O-CE 3.21Å; N499-M501 WeakPolarHBondContact O-CE 3.44Å; N499-M501 PolarHBondContact O-N 2.7Å; M501-Q504 HydrophobicContact CE-CG 4.4Å; M501-H505 PolarHBondContact O-N 3.17Å; M501-V506 HydrophobicContact CB-CB 4.25Å; M501-V506 PolarHBondContact O-N 3.45Å; M501-V506 HydrophobicContact SD-CB 3.83Å; M501-V506 HydrophobicContact SD-CG1 4.13Å; M501-V506 HydrophobicContact SD-CG2 4Å
502	K	88.5	Confident	87.9	Confident	93 Å²	93	49.8 Å²	49.8	40%	0.404	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-39.4	173.1	-172.3	169.2	-164.7	144.1	0	111.5	E153 Y420 A488 D500	E153-K502 IonicContact OE1-NZ 2.72Å; E153-K502 PolarHBondContact OE1-NZ 3.21Å; E153-K502 IonicContact OE2-NZ 3.88Å; E153-K502 PolarHBondContact OE2-NZ 2.97Å; Y420-K502 HydrophobicContact CD1-CB 4.29Å; Y420-K502 HydrophobicContact CE1-CB 3.71Å; Y420-K502 HydrophobicContact CE1-CG 3.9Å; Y420-K502 HydrophobicContact CE2-CB 4.43Å; Y420-K502 HydrophobicContact CE2-CD 4.42Å; Y420-K502 VanDerWaalsContact OH-CD 3.23Å; Y420-K502 WeakPolarHBondContact OH-CD 3.44Å; Y420-K502 WeakPolarHBondContact OH-CE 3.45Å; Y420-K502 WeakPolarHBondContact OH-CG 3.26Å; Y420-K502 PolarHBondContact OH-NZ 2.7Å; Y420-K502 VanDerWaalsContact OH-NZ 3.16Å; A488-K502 HydrophobicContact CB-CB 4.37Å; D500-K502 PolarHBondContact O-N 3.25Å; D500-K502 VanDerWaalsContact OD1-CB 3.27Å; D500-K502 WeakPolarHBondContact OD1-CB 3.31Å; D500-K502 PolarHBondContact OD1-N 3.45Å
503	Q	88	Confident	88.1	Confident	125 Å²	125	50 Å²	50	58%	0.584	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-34.1	176.6	-65.4	176.4	33.3	0	0	111.6	D500 H505	D500-Q503 HydrophobicContact CB-CB 4.25Å; D500-Q503 HydrophobicContact CB-CG 4.09Å; D500-Q503 PolarHBondContact O-N 3Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.4Å; D500-Q503 PolarHBondContact OD2-NE2 2.65Å; Q503-H505 PolarHBondContact O-CD2 3Å; Q503-H505 VanDerWaalsContact O-CD2 3.3Å; Q503-H505 PolarHBondContact O-N 2.83Å
504	Q	86.7	Confident	88.4	Confident	26 Å²	26	51.3 Å²	51.3	12%	0.121	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.4	175	-63.1	-158.2	-13.7	0	0	113.9	D492 L496 T498 D500 M501 V506	D492-Q504 VanDerWaalsContact CG-NE2 3.29Å; D492-Q504 PolarHBondContact OD1-NE2 3.31Å; L496-Q504 HydrophobicContact CD1-CG 4.38Å; T498-Q504 PolarHBondContact O-NE2 3.26Å; T498-Q504 PolarHBondContact OG1-NE2 3.27Å; D500-Q504 WeakPolarHBondContact O-CG 3.43Å; D500-Q504 PolarHBondContact O-N 3.2Å; M501-Q504 HydrophobicContact CE-CG 4.4Å; Q504-V506 VanDerWaalsContact C-N 3.25Å; Q504-V506 HydrophobicContact CB-CG2 3.93Å; Q504-V506 PolarHBondContact O-N 3.28Å
505	H	87.1	Confident	88.9	Confident	86 Å²	86	48.7 Å²	48.7	40%	0.398	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	36.1	-175.9	-57.9	-81	0	0	0	113.6	Q167 T171 M501 Q503 I507	Q167-H505 PolarHBondContact OE1-ND1 2.86Å; T171-H505 PolarHBondContact OG1-O 3.47Å; M501-H505 PolarHBondContact O-N 3.17Å; Q503-H505 PolarHBondContact O-CD2 3Å; Q503-H505 VanDerWaalsContact O-CD2 3.3Å; Q503-H505 PolarHBondContact O-N 2.83Å; H505-I507 PolarHBondContact O-N 3.44Å
506	V	90	Very high	89.3	Confident	27 Å²	27	44.1 Å²	44.1	16%	0.164	22%	0.219	C	C	.	.			trans	-89.3	97	175.1	-179.4	0	0	0	0	108.5	T171 G421 M501 Q504	T171-V506 HydrophobicContact CG2-CB 4.46Å; T171-V506 HydrophobicContact CG2-CG1 3.9Å; G421-V506 PolarHBondContact N-O 3.49Å; G421-V506 VanDerWaalsContact N-O 3.17Å; M501-V506 HydrophobicContact CB-CB 4.25Å; M501-V506 PolarHBondContact O-N 3.45Å; M501-V506 HydrophobicContact SD-CB 3.83Å; M501-V506 HydrophobicContact SD-CG1 4.13Å; M501-V506 HydrophobicContact SD-CG2 4Å; Q504-V506 VanDerWaalsContact C-N 3.25Å; Q504-V506 HydrophobicContact CB-CG2 3.93Å; Q504-V506 PolarHBondContact O-N 3.28Å
507	I	89.3	Confident	90	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137	-170.7	-60.7	160	0	0	0	109.7	F155 T168 T171 I418 Y420 H505	F155-I507 HydrophobicContact CE2-CD1 3.92Å; F155-I507 HydrophobicContact CE2-CG2 4.45Å; F155-I507 HydrophobicContact CZ-CD1 4.23Å; T168-I507 HydrophobicContact CG2-CB 4.48Å; T168-I507 HydrophobicContact CG2-CG2 4.25Å; T171-I507 PolarHBondContact OG1-N 2.79Å; I418-I507 HydrophobicContact CB-CG2 3.71Å; I418-I507 HydrophobicContact CD1-CG2 3.86Å; I418-I507 HydrophobicContact CG1-CG2 4.34Å; I418-I507 HydrophobicContact CG2-CG2 3.73Å; Y420-I507 HydrophobicContact CD1-CG1 4.48Å; Y420-I507 HydrophobicContact CE1-CG1 4.4Å; H505-I507 PolarHBondContact O-N 3.44Å
508	E	90.1	Very high	90.6	Very high	40 Å²	40	34.9 Å²	34.9	19%	0.187	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.8	173.8	-68.8	167.8	134.1	0	0	110	I418 V419 G421 K513	I418-E508 WeakPolarHBondContact CA-O 3.34Å; V419-E508 HydrophobicContact CG2-CB 4.4Å; V419-E508 PolarHBondContact N-O 3.17Å; V419-E508 PolarHBondContact O-N 3.37Å; V419-E508 VanDerWaalsContact O-O 3.14Å; G421-E508 WeakPolarHBondContact CA-OE2 3.49Å; E508-K513 VanDerWaalsContact OE1-CE 3.31Å; E508-K513 WeakPolarHBondContact OE1-CE 3.36Å; E508-K513 IonicContact OE1-NZ 3.89Å; E508-K513 PolarHBondContact OE1-NZ 3.16Å; E508-K513 VanDerWaalsContact OE1-NZ 3.07Å; E508-K513 WeakPolarHBondContact OE2-CE 3.5Å; E508-K513 IonicContact OE2-NZ 3.67Å; E508-K513 PolarHBondContact OE2-NZ 3.31Å; E508-K513 VanDerWaalsContact OE2-NZ 3.16Å
509	T	91.1	Very high	91.2	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.043	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.5	178.7	65.8	0	0	0	0	111.1	V408 N411 L412 H511 G512 K513	V408-T509 HydrophobicContact CG1-CG2 3.91Å; N411-T509 HydrophobicContact CB-CG2 3.98Å; L412-T509 HydrophobicContact CD2-CG2 3.78Å; L412-T509 HydrophobicContact CG-CG2 3.76Å; T509-H511 VanDerWaalsContact C-N 3.25Å; T509-H511 PolarHBondContact O-N 3.48Å; T509-G512 PolarHBondContact O-N 3.09Å; T509-G512 PolarHBondContact OG1-N 2.85Å; T509-G512 VanDerWaalsContact OG1-N 3.14Å; T509-K513 PolarHBondContact O-N 2.68Å
510	L	92.4	Very high	91.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-41.9	175.1	176	66	0	0	0	110.9	L148 R417 V419 G512 K513 K514	L148-L510 HydrophobicContact CB-CD1 3.67Å; R417-L510 HydrophobicContact CB-CB 3.93Å; R417-L510 HydrophobicContact CB-CD2 3.7Å; R417-L510 HydrophobicContact CB-CG 4.48Å; R417-L510 HydrophobicContact CG-CD2 4.41Å; R417-L510 WeakPolarHBondContact O-CB 3.39Å; R417-L510 PolarHBondContact O-N 3.15Å; R417-L510 VanDerWaalsContact O-N 3.09Å; V419-L510 HydrophobicContact CG1-CB 4.27Å; V419-L510 HydrophobicContact CG1-CD1 3.63Å; L510-G512 VanDerWaalsContact C-N 3.34Å; L510-G512 PolarHBondContact O-N 2.91Å; L510-K513 PolarHBondContact O-N 3.4Å; L510-K514 HydrophobicContact CD1-CD 4.37Å; L510-K514 HydrophobicContact CD1-CG 4.24Å; L510-K514 HydrophobicContact CG-CD 4.23Å; L510-K514 HydrophobicContact CG-CG 4.46Å; L510-K514 WeakPolarHBondContact O-CG 3.33Å; L510-K514 PolarHBondContact O-N 3.45Å
511	H	91.4	Very high	92.1	Very high	69 Å²	69	31.4 Å²	31.4	32%	0.319	15%	0.153	S	C	.	.	H	α-helix	trans	-59.2	-45.9	179.2	-174.9	49	0	0	0	111.5	I102 T509 K513 K514 Q515	I102-H511 WeakPolarHBondContact CD1-CD2 3.24Å; I102-H511 WeakPolarHBondContact CD1-NE2 3.31Å; T509-H511 VanDerWaalsContact C-N 3.25Å; T509-H511 PolarHBondContact O-N 3.48Å; H511-K513 PolarHBondContact O-N 3.22Å; H511-K514 PolarHBondContact O-N 3.07Å; H511-Q515 WeakPolarHBondContact O-CB 3.36Å; H511-Q515 PolarHBondContact O-N 3.34Å
512	G	91.9	Very high	92.3	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-58.3	-49	177.5	0	0	0	0	0	113	T509 L510 K514 Q515 Q516	T509-G512 PolarHBondContact O-N 3.09Å; T509-G512 PolarHBondContact OG1-N 2.85Å; T509-G512 VanDerWaalsContact OG1-N 3.14Å; L510-G512 VanDerWaalsContact C-N 3.34Å; L510-G512 PolarHBondContact O-N 2.91Å; G512-K514 PolarHBondContact O-N 3.38Å; G512-Q515 PolarHBondContact O-N 2.98Å; G512-Q516 WeakPolarHBondContact O-CG 3.47Å; G512-Q516 PolarHBondContact O-N 2.73Å
513	K	93.3	Very high	92.6	Very high	14 Å²	14	33.6 Å²	33.6	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-39.5	179.5	-76.3	-66.4	177.4	-172	0	113.9	L148 V419 E426 E508 T509 L510 H511 Q515 Q516 I517	L148-K513 HydrophobicContact CD1-CB 4.05Å; V419-K513 HydrophobicContact CG2-CB 4.28Å; V419-K513 HydrophobicContact CG2-CG 3.81Å; E426-K513 WeakPolarHBondContact OE1-CE 3.48Å; E426-K513 IonicContact OE1-NZ 3.66Å; E426-K513 PolarHBondContact OE1-NZ 3.04Å; E508-K513 VanDerWaalsContact OE1-CE 3.31Å; E508-K513 WeakPolarHBondContact OE1-CE 3.36Å; E508-K513 IonicContact OE1-NZ 3.89Å; E508-K513 PolarHBondContact OE1-NZ 3.16Å; E508-K513 VanDerWaalsContact OE1-NZ 3.07Å; E508-K513 WeakPolarHBondContact OE2-CE 3.5Å; E508-K513 IonicContact OE2-NZ 3.67Å; E508-K513 PolarHBondContact OE2-NZ 3.31Å; E508-K513 VanDerWaalsContact OE2-NZ 3.16Å; T509-K513 PolarHBondContact O-N 2.68Å; L510-K513 PolarHBondContact O-N 3.4Å; H511-K513 PolarHBondContact O-N 3.22Å; K513-Q515 VanDerWaalsContact C-N 3.3Å; K513-Q515 PolarHBondContact O-N 3.16Å; K513-Q516 PolarHBondContact O-N 3.03Å; K513-I517 WeakPolarHBondContact O-CG1 3.34Å; K513-I517 PolarHBondContact O-N 3.43Å
514	K	94.6	Very high	92.9	Very high	36 Å²	36	27.7 Å²	27.7	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-42.5	174.9	-73.7	-175	175.7	-167.6	0	111.8	I145 L148 D149 L510 H511 G512 I517 S518	I145-K514 HydrophobicContact CG2-CD 3.91Å; I145-K514 HydrophobicContact CG2-CG 4.04Å; L148-K514 HydrophobicContact CD1-CG 4.05Å; D149-K514 WeakPolarHBondContact OD1-CE 3.46Å; D149-K514 IonicContact OD1-NZ 3.73Å; D149-K514 PolarHBondContact OD1-NZ 3.33Å; D149-K514 WeakPolarHBondContact OD2-CE 3.45Å; D149-K514 IonicContact OD2-NZ 2.55Å; D149-K514 PolarHBondContact OD2-NZ 3.21Å; L510-K514 HydrophobicContact CD1-CD 4.37Å; L510-K514 HydrophobicContact CD1-CG 4.24Å; L510-K514 HydrophobicContact CG-CD 4.23Å; L510-K514 HydrophobicContact CG-CG 4.46Å; L510-K514 WeakPolarHBondContact O-CG 3.33Å; L510-K514 PolarHBondContact O-N 3.45Å; H511-K514 PolarHBondContact O-N 3.07Å; G512-K514 PolarHBondContact O-N 3.38Å; K514-I517 PolarHBondContact O-N 2.7Å; K514-S518 WeakPolarHBondContact O-CB 3.39Å; K514-S518 PolarHBondContact O-N 3.41Å
515	Q	94.7	Very high	93.3	Very high	38 Å²	38	29.1 Å²	29.1	18%	0.178	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-42.4	-179.1	-163.1	59.6	15.7	0	0	111.3	E101 I102 H511 G512 K513 I517 S518 L519	E101-Q515 WeakPolarHBondContact OE2-CG 3.19Å; E101-Q515 PolarHBondContact OE2-NE2 3.49Å; I102-Q515 HydrophobicContact CD1-CB 4.02Å; I102-Q515 HydrophobicContact CD1-CG 4.27Å; I102-Q515 HydrophobicContact CG1-CB 3.9Å; I102-Q515 HydrophobicContact CG1-CG 3.99Å; H511-Q515 WeakPolarHBondContact O-CB 3.36Å; H511-Q515 PolarHBondContact O-N 3.34Å; G512-Q515 PolarHBondContact O-N 2.98Å; K513-Q515 VanDerWaalsContact C-N 3.3Å; K513-Q515 PolarHBondContact O-N 3.16Å; Q515-I517 PolarHBondContact O-N 2.93Å; Q515-S518 PolarHBondContact O-N 2.76Å; Q515-L519 HydrophobicContact CG-CD1 3.83Å; Q515-L519 HydrophobicContact CG-CG 4.1Å; Q515-L519 WeakPolarHBondContact O-CB 3.46Å; Q515-L519 WeakPolarHBondContact O-CG 3.42Å; Q515-L519 PolarHBondContact O-N 3.37Å
516	Q	94.9	Very high	93.6	Very high	11 Å²	11	29.2 Å²	29.2	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-55.4	-49.2	174.8	-70.9	169	19.4	0	0	112.3	V109 G512 K513 A520	V109-Q516 HydrophobicContact CB-CG 4.42Å; G512-Q516 WeakPolarHBondContact O-CG 3.47Å; G512-Q516 PolarHBondContact O-N 2.73Å; K513-Q516 PolarHBondContact O-N 3.03Å; Q516-A520 VanDerWaalsContact O-CB 3.25Å; Q516-A520 WeakPolarHBondContact O-CB 3.12Å; Q516-A520 PolarHBondContact O-N 3.01Å
517	I	95.6	Very high	93.8	Very high	12 Å²	12	28 Å²	28	6%	0.062	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-42.5	179.7	-64.2	176.8	0	0	0	111.1	L112 A141 A144 I145 L148 F451 K513 K514 Q515 T521	L112-I517 HydrophobicContact CD2-CG1 4.26Å; A141-I517 HydrophobicContact CB-CG2 4.09Å; A144-I517 HydrophobicContact CB-CD1 4.28Å; I145-I517 HydrophobicContact CG1-CG2 4.4Å; L148-I517 HydrophobicContact CD1-CD1 3.75Å; F451-I517 HydrophobicContact CZ-CG2 3.94Å; K513-I517 WeakPolarHBondContact O-CG1 3.34Å; K513-I517 PolarHBondContact O-N 3.43Å; K514-I517 PolarHBondContact O-N 2.7Å; Q515-I517 PolarHBondContact O-N 2.93Å; I517-T521 WeakPolarHBondContact O-CB 3.34Å; I517-T521 PolarHBondContact O-N 3.18Å; I517-T521 VanDerWaalsContact O-N 3.11Å; I517-T521 PolarHBondContact O-OG1 3.36Å
518	S	95.6	Very high	93.9	Very high	45 Å²	45	28 Å²	28	32%	0.315	14%	0.139	S	C	.	.	H	α-helix	trans	-63.8	-50.4	-179.9	-172.7	0	0	0	0	111.8	K514 Q515 T521 Q522	K514-S518 WeakPolarHBondContact O-CB 3.39Å; K514-S518 PolarHBondContact O-N 3.41Å; Q515-S518 PolarHBondContact O-N 2.76Å; S518-T521 PolarHBondContact O-N 3.26Å; S518-Q522 WeakPolarHBondContact O-CB 3.47Å; S518-Q522 PolarHBondContact O-N 3.13Å
519	L	96.1	Very high	93.9	Very high	20 Å²	20	32 Å²	32	11%	0.105	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-44.8	-178.2	-71.4	179.4	0	0	0	111.9	L94 Q98 V109 Q515 T521 Q522 V523	L94-L519 HydrophobicContact CD1-CB 3.58Å; Q98-L519 HydrophobicContact CB-CD1 4.2Å; V109-L519 HydrophobicContact CG2-CB 4.11Å; Q515-L519 HydrophobicContact CG-CD1 3.83Å; Q515-L519 HydrophobicContact CG-CG 4.1Å; Q515-L519 WeakPolarHBondContact O-CB 3.46Å; Q515-L519 WeakPolarHBondContact O-CG 3.42Å; Q515-L519 PolarHBondContact O-N 3.37Å; L519-T521 PolarHBondContact O-N 2.65Å; L519-Q522 PolarHBondContact O-N 2.94Å; L519-V523 PolarHBondContact O-N 2.91Å
520	A	96	Very high	93.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-47.4	176.8	0	0	0	0	0	111.3	V109 L112 A113 L116 Q516 Q522 V523 V524	V109-A520 HydrophobicContact CG2-CB 4.1Å; L112-A520 HydrophobicContact CB-CB 4.19Å; L112-A520 HydrophobicContact CD2-CB 3.85Å; L112-A520 HydrophobicContact CG-CB 3.94Å; A113-A520 HydrophobicContact CB-CB 4.09Å; L116-A520 HydrophobicContact CD1-CB 4.37Å; Q516-A520 VanDerWaalsContact O-CB 3.25Å; Q516-A520 WeakPolarHBondContact O-CB 3.12Å; Q516-A520 PolarHBondContact O-N 3.01Å; A520-Q522 PolarHBondContact O-N 2.76Å; A520-V523 PolarHBondContact O-N 2.98Å; A520-V524 WeakPolarHBondContact O-CG2 2.86Å; A520-V524 PolarHBondContact O-N 3.48Å
521	T	95.8	Very high	93.5	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-42.1	179.1	-53.3	0	0	0	0	111.7	A141 I517 S518 L519 V523 V524 K525	A141-T521 HydrophobicContact CB-CG2 3.95Å; I517-T521 WeakPolarHBondContact O-CB 3.34Å; I517-T521 PolarHBondContact O-N 3.18Å; I517-T521 VanDerWaalsContact O-N 3.11Å; I517-T521 PolarHBondContact O-OG1 3.36Å; S518-T521 PolarHBondContact O-N 3.26Å; L519-T521 PolarHBondContact O-N 2.65Å; T521-V523 PolarHBondContact O-N 2.9Å; T521-V524 PolarHBondContact O-N 3.27Å; T521-K525 WeakPolarHBondContact O-CB 3.12Å; T521-K525 PolarHBondContact O-N 3.24Å
522	Q	95.1	Very high	93.1	Very high	123 Å²	123	37.7 Å²	37.7	58%	0.575	19%	0.187	S	C	*	.	H	α-helix	trans	-63.3	-41.8	179.6	-178.2	175.8	-17.8	0	0	112.2	S518 L519 A520 K525 M526	S518-Q522 WeakPolarHBondContact O-CB 3.47Å; S518-Q522 PolarHBondContact O-N 3.13Å; L519-Q522 PolarHBondContact O-N 2.94Å; A520-Q522 PolarHBondContact O-N 2.76Å; Q522-K525 PolarHBondContact O-N 3Å; Q522-M526 PolarHBondContact O-N 2.98Å
523	V	94.9	Very high	92.6	Very high	17 Å²	17	39.1 Å²	39.1	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-43.5	177.3	169.2	0	0	0	0	111.3	M91 L94 L519 A520 T521 K525 M526 I527	M91-V523 HydrophobicContact SD-CG1 4.24Å; L94-V523 HydrophobicContact CB-CG2 4.11Å; L94-V523 HydrophobicContact CD1-CB 4.49Å; L94-V523 HydrophobicContact CD1-CG2 3.75Å; L94-V523 HydrophobicContact CD2-CB 4.12Å; L94-V523 HydrophobicContact CD2-CG1 4.18Å; L94-V523 HydrophobicContact CD2-CG2 4.09Å; L94-V523 HydrophobicContact CG-CG2 4.19Å; L519-V523 PolarHBondContact O-N 2.91Å; A520-V523 PolarHBondContact O-N 2.98Å; T521-V523 PolarHBondContact O-N 2.9Å; V523-K525 VanDerWaalsContact C-N 3.29Å; V523-K525 PolarHBondContact O-N 2.99Å; V523-M526 WeakPolarHBondContact O-CB 3.5Å; V523-M526 PolarHBondContact O-N 2.99Å; V523-I527 HydrophobicContact CG1-CD1 3.63Å; V523-I527 HydrophobicContact CG1-CG1 4.25Å; V523-I527 VanDerWaalsContact O-CG1 3.29Å; V523-I527 WeakPolarHBondContact O-CG1 3.37Å; V523-I527 PolarHBondContact O-N 2.76Å
524	V	94.9	Very high	91.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-44.7	175.2	174.3	0	0	0	0	110.8	A113 L116 L117 Y137 A520 T521 M526 I527 L528	A113-V524 HydrophobicContact CB-CG2 4.31Å; L116-V524 HydrophobicContact CB-CG1 4.3Å; L116-V524 HydrophobicContact CB-CG2 3.65Å; L116-V524 HydrophobicContact CD1-CG2 3.97Å; L116-V524 HydrophobicContact CG-CG2 4.48Å; L117-V524 HydrophobicContact CD2-CG1 3.99Å; L117-V524 HydrophobicContact CD2-CG2 4.49Å; L117-V524 HydrophobicContact CG-CG1 4.39Å; L117-V524 HydrophobicContact CG-CG2 4.15Å; Y137-V524 HydrophobicContact CD2-CG1 3.81Å; Y137-V524 HydrophobicContact CE2-CG1 3.87Å; A520-V524 WeakPolarHBondContact O-CG2 2.86Å; A520-V524 PolarHBondContact O-N 3.48Å; T521-V524 PolarHBondContact O-N 3.27Å; V524-M526 VanDerWaalsContact C-N 3.3Å; V524-M526 PolarHBondContact O-N 3.46Å; V524-I527 PolarHBondContact O-N 3.45Å; V524-L528 HydrophobicContact CG1-CD1 3.82Å; V524-L528 HydrophobicContact CG1-CG 4.23Å; V524-L528 WeakPolarHBondContact O-CB 3.39Å; V524-L528 WeakPolarHBondContact O-CG 3.2Å; V524-L528 PolarHBondContact O-N 2.79Å
525	K	94.4	Very high	90.9	Very high	57 Å²	57	47.6 Å²	47.6	25%	0.248	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-39.1	174.6	167.8	164.1	-168.6	176.5	0	112.8	S134 D138 T521 Q522 V523 K529	S134-K525 WeakPolarHBondContact OG-CB 3.43Å; S134-K525 WeakPolarHBondContact OG-CD 3.48Å; S134-K525 WeakPolarHBondContact OG-CG 3.4Å; D138-K525 WeakPolarHBondContact OD2-CD 3.4Å; D138-K525 IonicContact OD2-NZ 2.82Å; D138-K525 PolarHBondContact OD2-NZ 3.35Å; T521-K525 WeakPolarHBondContact O-CB 3.12Å; T521-K525 PolarHBondContact O-N 3.24Å; Q522-K525 PolarHBondContact O-N 3Å; V523-K525 VanDerWaalsContact C-N 3.29Å; V523-K525 PolarHBondContact O-N 2.99Å; K525-K529 WeakPolarHBondContact O-CD 3.48Å; K525-K529 VanDerWaalsContact O-CG 3.26Å; K525-K529 WeakPolarHBondContact O-CG 3.43Å; K525-K529 PolarHBondContact O-N 2.73Å
526	M	93.5	Very high	89.6	Confident	88 Å²	88	50.9 Å²	50.9	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-44.8	176.6	-172.4	166.8	67	0	0	111.1	L90 Q522 V523 V524 K529 I530	L90-M526 HydrophobicContact CD1-CE 3.77Å; L90-M526 HydrophobicContact CD2-CE 3.49Å; L90-M526 VanDerWaalsContact CD2-CE 3.49Å; L90-M526 HydrophobicContact CG-CE 4.14Å; Q522-M526 PolarHBondContact O-N 2.98Å; V523-M526 WeakPolarHBondContact O-CB 3.5Å; V523-M526 PolarHBondContact O-N 2.99Å; V524-M526 VanDerWaalsContact C-N 3.3Å; V524-M526 PolarHBondContact O-N 3.46Å; M526-K529 PolarHBondContact O-N 3.04Å; M526-I530 WeakPolarHBondContact O-CG1 3.47Å
527	I	93.4	Very high	87.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-45.7	-179.1	-63.1	167.6	0	0	0	111.2	H37 I87 L90 M91 L117 V523 V524 K529 I530	H37-I527 HydrophobicContact CB-CG2 3.93Å; I87-I527 HydrophobicContact CD1-CG1 4.18Å; I87-I527 HydrophobicContact CD1-CG2 4.14Å; I87-I527 HydrophobicContact CG2-CD1 3.69Å; I87-I527 HydrophobicContact CG2-CG1 4.16Å; I87-I527 HydrophobicContact CG2-CG2 4.36Å; L90-I527 HydrophobicContact CD1-CG1 4.44Å; M91-I527 HydrophobicContact SD-CD1 4.48Å; L117-I527 HydrophobicContact CD1-CD1 3.77Å; L117-I527 HydrophobicContact CD2-CB 4.24Å; L117-I527 HydrophobicContact CD2-CD1 4.5Å; L117-I527 HydrophobicContact CD2-CG2 3.96Å; V523-I527 HydrophobicContact CG1-CD1 3.63Å; V523-I527 HydrophobicContact CG1-CG1 4.25Å; V523-I527 VanDerWaalsContact O-CG1 3.29Å; V523-I527 WeakPolarHBondContact O-CG1 3.37Å; V523-I527 PolarHBondContact O-N 2.76Å; V524-I527 PolarHBondContact O-N 3.45Å; I527-K529 PolarHBondContact O-N 3.26Å; I527-K529 VanDerWaalsContact O-N 3.14Å; I527-I530 WeakPolarHBondContact O-CB 3.41Å; I527-I530 PolarHBondContact O-N 3.48Å
528	L	92	Very high	85.5	Confident	4 Å²	4	60 Å²	60	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-16.7	-179.9	-70.8	177.3	0	0	0	113.9	L34 L117 A120 L124 P130 I133 V524	L34-L528 HydrophobicContact CD2-CD2 4.44Å; L117-L528 HydrophobicContact CD2-CD2 4.46Å; L117-L528 HydrophobicContact CD2-CG 4.5Å; A120-L528 HydrophobicContact CB-CD1 4.29Å; A120-L528 HydrophobicContact CB-CD2 4.13Å; L124-L528 HydrophobicContact CD1-CD2 4.48Å; P130-L528 HydrophobicContact CB-CB 4.34Å; P130-L528 WeakPolarHBondContact CB-O 3.41Å; I133-L528 HydrophobicContact CB-CD1 4.41Å; I133-L528 HydrophobicContact CG2-CD1 4.14Å; V524-L528 HydrophobicContact CG1-CD1 3.82Å; V524-L528 HydrophobicContact CG1-CG 4.23Å; V524-L528 WeakPolarHBondContact O-CB 3.39Å; V524-L528 WeakPolarHBondContact O-CG 3.2Å; V524-L528 PolarHBondContact O-N 2.79Å
529	K	90.4	Very high	82.8	Confident	123 Å²	123	62.2 Å²	62.2	54%	0.535	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.2	175.4	-76	176.4	177.1	-168.9	0	113.7	K525 M526 I527	K525-K529 WeakPolarHBondContact O-CD 3.48Å; K525-K529 VanDerWaalsContact O-CG 3.26Å; K525-K529 WeakPolarHBondContact O-CG 3.43Å; K525-K529 PolarHBondContact O-N 2.73Å; M526-K529 PolarHBondContact O-N 3.04Å; I527-K529 PolarHBondContact O-N 3.26Å; I527-K529 VanDerWaalsContact O-N 3.14Å
530	I	89.6	Confident	79.9	Confident	53 Å²	53	69.4 Å²	69.4	27%	0.272	36%	0.357	S	S	.	.			trans	-90.9	110.7	-178.9	-55.8	168.4	0	0	0	108.3	L34 H37 I87 M526 I527	L34-I530 WeakPolarHBondContact CD2-O 3.3Å; H37-I530 WeakPolarHBondContact NE2-CG2 3.36Å; I87-I530 HydrophobicContact CD1-CD1 4.07Å; M526-I530 WeakPolarHBondContact O-CG1 3.47Å; I527-I530 WeakPolarHBondContact O-CB 3.41Å; I527-I530 PolarHBondContact O-N 3.48Å
531	D	85.3	Confident	77	Confident	103 Å²	103	80.4 Å²	80.4	55%	0.551	42%	0.416	S	S	*	.			trans	-113.7	-9.1	-177.9	72.5	-28.1	0	0	0	114	S29 G30	S29-D531 CarbonylContact C-O 3.5Å; S29-D531 WeakPolarHBondContact CA-O 3.43Å; G30-D531 PolarHBondContact N-O 3.02Å
532	D	83.3	Confident	76	Confident	39 Å²	39	84.2 Å²	84.2	21%	0.209	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	117.4	-178.3	-164.3	15.7	0	0	0	110.2	R27 R534	R27-D532 WeakPolarHBondContact CG-OD1 3.39Å; R27-D532 IonicContact CZ-OD1 2.64Å; R27-D532 IonicContact CZ-OD2 3.74Å; R27-D532 IonicContact NE-OD1 3.96Å; R27-D532 PolarHBondContact NE-OD1 2.89Å; R27-D532 IonicContact NE-OD2 3.83Å; R27-D532 PolarHBondContact NE-OD2 2.98Å; R27-D532 IonicContact NH2-OD1 3.3Å; R27-D532 IonicContact NH2-OD2 3.31Å; R27-D532 PolarHBondContact NH2-OD2 3.32Å; D532-R534 IonicContact OD2-CZ 3.8Å; D532-R534 VanDerWaalsContact OD2-CZ 3.31Å; D532-R534 IonicContact OD2-NE 3.05Å; D532-R534 PolarHBondContact OD2-NE 3.33Å; D532-R534 VanDerWaalsContact OD2-NE 3.08Å; D532-R534 IonicContact OD2-NH2 3.89Å; D532-R534 PolarHBondContact OD2-NH2 3.24Å
533	I	80.6	Confident	75	Confident	33 Å²	33	82.2 Å²	82.2	17%	0.169	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.6	175.5	-51.8	166.2	0	0	0	107.9	R27 L28 A33 H37	R27-I533 WeakPolarHBondContact CA-O 3.41Å; L28-I533 HydrophobicContact CB-CB 4.34Å; L28-I533 HydrophobicContact CB-CD1 4.15Å; L28-I533 HydrophobicContact CD1-CD1 4.3Å; L28-I533 PolarHBondContact N-O 2.74Å; L28-I533 PolarHBondContact O-N 3.35Å; A33-I533 HydrophobicContact CB-CD1 3.83Å; A33-I533 HydrophobicContact CB-CG1 4.02Å; H37-I533 WeakPolarHBondContact CE1-CD1 3.41Å; H37-I533 WeakPolarHBondContact CE1-CG1 3.5Å
534	R	79.9	Confident	73.9	Confident	173 Å²	173	85.8 Å²	85.8	65%	0.653	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	104.2	173.6	-62.2	-177.5	-171.6	165.7	4.7	109.1	R27 D532	R27-R534 HydrophobicContact CG-CG 4.44Å; D532-R534 IonicContact OD2-CZ 3.8Å; D532-R534 VanDerWaalsContact OD2-CZ 3.31Å; D532-R534 IonicContact OD2-NE 3.05Å; D532-R534 PolarHBondContact OD2-NE 3.33Å; D532-R534 VanDerWaalsContact OD2-NE 3.08Å; D532-R534 IonicContact OD2-NH2 3.89Å; D532-R534 PolarHBondContact OD2-NH2 3.24Å
535	S	73.1	Confident	72.7	Confident	54 Å²	54	90.8 Å²	90.8	38%	0.378	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.2	171.4	-61.6	0	0	0	0	108.4	T26 G537	T26-S535 PolarHBondContact O-N 3.35Å; S535-G537 PolarHBondContact O-N 2.94Å
536	P	66.3	Low	71.3	Confident	107 Å²	107	92.9 Å²	92.9	70%	0.695	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-63	122.5	163.6	27.3	-29.1	0	0	0	106.6	E538	P536-E538 PolarHBondContact O-N 3.24Å
537	G	55.7	Low	69.8	Low	31 Å²	31	93.3 Å²	93.3	32%	0.32	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-56.1	139.4	171.5	0	0	0	0	0	109.5	K24 S535 S539	K24-G537 WeakPolarHBondContact O-CA 3.36Å; K24-G537 PolarHBondContact O-N 3.06Å; K24-G537 VanDerWaalsContact O-N 3.09Å; S535-G537 PolarHBondContact O-N 2.94Å; G537-S539 PolarHBondContact O-N 3.23Å
538	E	49.2	Very low	68.1	Low	183 Å²	183	99.9 Å²	99.9	86%	0.855	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-53.4	124.3	171.5	-68.9	177.4	163.7	0	0	108.1	P536 E540	P536-E538 PolarHBondContact O-N 3.24Å; E538-E540 PolarHBondContact O-N 3.25Å; E538-E540 VanDerWaalsContact O-N 3.17Å
539	S	39.8	Very low	66.3	Low	93 Å²	93	107.2 Å²	107.2	65%	0.65	56%	0.563	S	S	*	*			trans	-62.4	115.3	162.3	45.1	0	0	0	0	106.1	G537 D541	G537-S539 PolarHBondContact O-N 3.23Å; S539-D541 PolarHBondContact O-N 2.99Å
540	E	35.8	Very low	64.3	Low	170 Å²	170	105.9 Å²	105.9	79%	0.794	57%	0.565	S	S	*	*			trans	-46.4	113.3	165.8	-68.3	174	140.8	0	0	108.6	K24 E538	K24-E540 IonicContact NZ-OE2 2.89Å; E538-E540 PolarHBondContact O-N 3.25Å; E538-E540 VanDerWaalsContact O-N 3.17Å
541	D	33.1	Very low	62	Low	232 Å²	232	110.7 Å²	110.7	100%	1.241	59%	0.592	S	S	*	*			trans	-100.8	0	154	-86.3	-23.8	0	0	0	108.2	S539	S539-D541 PolarHBondContact O-N 2.99Å

Retrieved 541 of 541 residues in 3678.1 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).