A0A3Q0KEY1_SCHMA Loading...

T-complex protein 1 subunit gamma

Molecular chaperone; assists the folding of proteins upon ATP hydrolysis. Known to play a role, in vitro, in the folding of actin and tubulin.

AlphaFold DB , UniProt , Accession A0A3Q0KEY1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	49.3	Very low	239 Å²	239	129.4 Å²	129.4	100%	1.177	77%	0.774	S	S	*	*				0	108.1	0	-63.6	-127.6	-121.6	0	0	107.5	S3	M1-S3 PolarHBondContact O-N 3.29Å
2	P	44.7	Very low	49.9	Very low	135 Å²	135	139.8 Å²	139.8	88%	0.877	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.7	117.1	172.4	10.4	3.9	0	0	0	108.1
3	S	39.6	Very low	50.4	Low	118 Å²	118	137.8 Å²	137.8	83%	0.825	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-49.8	128.4	173.6	47.3	0	0	0	0	111.7	M1 A5	M1-S3 PolarHBondContact O-N 3.29Å; S3-A5 PolarHBondContact O-N 3.14Å
4	G	44.7	Very low	51	Low	77 Å²	77	129.8 Å²	129.8	79%	0.794	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-60.8	126	-176.1	0	0	0	0	0	113.1
5	A	53.5	Low	51.7	Low	89 Å²	89	135.3 Å²	135.3	74%	0.736	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-64.5	141	165	0	0	0	0	0	109.5	S3 L7	S3-A5 PolarHBondContact O-N 3.14Å; A5-L7 PolarHBondContact O-N 2.78Å
6	P	50.7	Low	52.3	Low	106 Å²	106	129.3 Å²	129.3	69%	0.688	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-62.6	122.4	-179.3	24.8	-32.1	0	0	0	110.6	F8	P6-F8 HydrophobicContact CG-CE2 4.39Å; P6-F8 PolarHBondContact O-N 3.34Å
7	L	41.9	Very low	53.3	Low	159 Å²	159	128.4 Å²	128.4	83%	0.832	71%	0.713	S	S	*	*			trans	-76.1	104.1	173.6	-163.6	90.1	0	0	0	108.7	A5 V9	A5-L7 PolarHBondContact O-N 2.78Å; L7-V9 HydrophobicContact CD2-CG2 4.3Å; L7-V9 PolarHBondContact O-N 3.23Å
8	F	57.8	Low	54.6	Low	175 Å²	175	128.6 Å²	128.6	77%	0.768	71%	0.708	S	S	*	*			trans	-76.3	109.7	171.5	-85.4	-88.9	0	0	0	109.9	P6 L10	P6-F8 HydrophobicContact CG-CE2 4.39Å; P6-F8 PolarHBondContact O-N 3.34Å; F8-L10 PolarHBondContact O-N 3.11Å
9	V	57.4	Low	55.8	Low	129 Å²	129	123.6 Å²	123.6	78%	0.782	69%	0.689	S	S	*	*			trans	-82.4	91.2	170.6	-175.1	0	0	0	0	108.3	L7	L7-V9 HydrophobicContact CD2-CG2 4.3Å; L7-V9 PolarHBondContact O-N 3.23Å
10	L	57.3	Low	57.1	Low	81 Å²	81	121.9 Å²	121.9	42%	0.424	67%	0.674	S	S	.	*			trans	-73.4	146.6	169.6	-75.1	162.5	0	0	0	110	F8 R12 A14 V530	F8-L10 PolarHBondContact O-N 3.11Å; L10-R12 PolarHBondContact O-N 3.31Å; L10-A14 HydrophobicContact CB-CB 4.27Å; L10-A14 HydrophobicContact CD2-CB 4.19Å; L10-V530 HydrophobicContact CD2-CG1 3.99Å
11	N	59.1	Low	58.5	Low	115 Å²	115	119.2 Å²	119.2	62%	0.615	66%	0.664	S	S	*	*			trans	-55.5	136.5	168.1	-169.7	-3	0	0	0	108.3	T13 A14	N11-T13 PolarHBondContact O-N 3.48Å; N11-A14 WeakPolarHBondContact O-CB 3.34Å; N11-A14 PolarHBondContact O-N 3.03Å
12	R	55.4	Low	61	Low	255 Å²	255	107.9 Å²	107.9	96%	0.962	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-16.6	-173.7	-75.8	-176.3	176.3	-179.4	-0.9	114.2	L10	L10-R12 PolarHBondContact O-N 3.31Å
13	T	57.5	Low	63.1	Low	114 Å²	114	102.6 Å²	102.6	70%	0.699	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-11.1	177.5	52.1	0	0	0	0	114.6	N11 R15	N11-T13 PolarHBondContact O-N 3.48Å; T13-R15 PolarHBondContact O-N 2.71Å
14	A	58.2	Low	65.5	Low	25 Å²	25	100.4 Å²	100.4	21%	0.207	55%	0.55	C	S	.	*			trans	-75.3	113.3	178.6	0	0	0	0	0	109.3	L10 N11	L10-A14 HydrophobicContact CB-CB 4.27Å; L10-A14 HydrophobicContact CD2-CB 4.19Å; N11-A14 WeakPolarHBondContact O-CB 3.34Å; N11-A14 PolarHBondContact O-N 3.03Å
15	R	62	Low	67.8	Low	212 Å²	212	98 Å²	98	80%	0.8	52%	0.522	S	S	*	.			trans	-81.3	126.9	165.4	-66.3	-177.3	179.6	179.5	-0.1	107.6	T13 S531	T13-R15 PolarHBondContact O-N 2.71Å; R15-S531 PolarHBondContact O-N 3.31Å; R15-S531 PolarHBondContact O-OG 2.86Å
16	G	60.6	Low	69.7	Low	39 Å²	39	93.8 Å²	93.8	40%	0.402	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.8	170.8	0	0	0	0	0	108.3
17	E	69.7	Low	71.7	Confident	114 Å²	114	89.2 Å²	89.2	53%	0.533	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137.1	166.1	-67.9	-178.8	-172.9	0	0	106.9	V22 D528 V529	E17-V22 HydrophobicContact CB-CG2 3.48Å; E17-V22 VanDerWaalsContact CB-CG2 3.48Å; E17-V22 WeakPolarHBondContact O-CG2 3.35Å; E17-D528 WeakPolarHBondContact O-CA 3.24Å; E17-V529 PolarHBondContact O-N 3.38Å
18	Q	76.4	Confident	74.1	Confident	133 Å²	133	88 Å²	88	62%	0.621	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.2	-172.7	-69.7	-168.6	-21.1	0	0	113.3	S21 D528	Q18-S21 PolarHBondContact O-OG 3.23Å; Q18-D528 WeakPolarHBondContact CG-OD2 3.39Å; Q18-D528 PolarHBondContact NE2-OD2 3.1Å
19	G	78.1	Confident	75.9	Confident	34 Å²	34	80.3 Å²	80.3	35%	0.351	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-136.8	168.2	0	0	0	0	0	113.1	S21 V22 Q23 D527	G19-S21 VanDerWaalsContact C-N 3.31Å; G19-S21 PolarHBondContact O-N 3.44Å; G19-V22 PolarHBondContact O-N 3.42Å; G19-Q23 PolarHBondContact O-N 3.07Å; G19-D527 PolarHBondContact N-O 3.2Å
20	K	81.6	Confident	77.5	Confident	89 Å²	89	74.1 Å²	74.1	39%	0.387	38%	0.379	S	S	.	.	H	α-helix	trans	-67.4	-29.1	-170.6	-65.6	-170.8	178.4	-159.5	0	113.8	V22 Q23 L24 L113	K20-V22 VanDerWaalsContact C-N 3.3Å; K20-V22 PolarHBondContact O-N 3.38Å; K20-Q23 PolarHBondContact O-N 3.24Å; K20-L24 WeakPolarHBondContact O-CG 3.4Å; K20-L24 PolarHBondContact O-N 3.1Å; K20-L113 PolarHBondContact NZ-O 2.99Å
21	S	86.3	Confident	79.3	Confident	66 Å²	66	74.7 Å²	74.7	46%	0.462	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-42.4	178.4	55.4	0	0	0	0	111.1	Q18 G19 L24 A25	Q18-S21 PolarHBondContact O-OG 3.23Å; G19-S21 VanDerWaalsContact C-N 3.31Å; G19-S21 PolarHBondContact O-N 3.44Å; S21-L24 PolarHBondContact O-N 3.41Å; S21-A25 WeakPolarHBondContact O-CB 3.44Å; S21-A25 PolarHBondContact O-N 3.17Å
22	V	89	Confident	80.9	Confident	1 Å²	1	73 Å²	73	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-44.9	175.7	176.5	0	0	0	0	111.2	E17 G19 K20 L24 A25 N26 I526 V529	E17-V22 HydrophobicContact CB-CG2 3.48Å; E17-V22 VanDerWaalsContact CB-CG2 3.48Å; E17-V22 WeakPolarHBondContact O-CG2 3.35Å; G19-V22 PolarHBondContact O-N 3.42Å; K20-V22 VanDerWaalsContact C-N 3.3Å; K20-V22 PolarHBondContact O-N 3.38Å; V22-L24 VanDerWaalsContact C-N 3.32Å; V22-L24 PolarHBondContact O-N 2.96Å; V22-A25 PolarHBondContact O-N 2.65Å; V22-N26 WeakPolarHBondContact O-CB 3.44Å; V22-N26 PolarHBondContact O-N 3.18Å; V22-N26 PolarHBondContact O-ND2 2.98Å; V22-I526 HydrophobicContact CG1-CG2 4.21Å; V22-V529 HydrophobicContact CG1-CB 4.46Å; V22-V529 HydrophobicContact CG1-CG2 3.6Å
23	Q	88.2	Confident	82.8	Confident	24 Å²	24	61.3 Å²	61.3	11%	0.112	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-42.3	178.9	-68.1	-179.2	-35	0	0	111.5	G19 K20 N26 I27 L113 L524 I526	G19-Q23 PolarHBondContact O-N 3.07Å; K20-Q23 PolarHBondContact O-N 3.24Å; Q23-N26 PolarHBondContact O-N 3.36Å; Q23-I27 WeakPolarHBondContact O-CD1 3.31Å; Q23-I27 VanDerWaalsContact O-CG1 3.22Å; Q23-I27 WeakPolarHBondContact O-CG1 3.45Å; Q23-I27 PolarHBondContact O-N 2.92Å; Q23-L113 HydrophobicContact CB-CD1 4.22Å; Q23-L524 PolarHBondContact NE2-O 3.27Å; Q23-I526 WeakPolarHBondContact CG-O 3.4Å
24	L	90.4	Very high	84.5	Confident	72 Å²	72	55.9 Å²	55.9	38%	0.377	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-41.9	175.7	-69	173.5	0	0	0	111.9	K20 S21 V22 N26 I27 E28 A110	K20-L24 WeakPolarHBondContact O-CG 3.4Å; K20-L24 PolarHBondContact O-N 3.1Å; S21-L24 PolarHBondContact O-N 3.41Å; V22-L24 VanDerWaalsContact C-N 3.32Å; V22-L24 PolarHBondContact O-N 2.96Å; L24-N26 PolarHBondContact O-N 3.36Å; L24-I27 PolarHBondContact O-N 3.48Å; L24-E28 WeakPolarHBondContact O-CB 3.47Å; L24-E28 PolarHBondContact O-N 3.06Å; L24-A110 HydrophobicContact CD2-CB 4.26Å
25	A	92.2	Very high	86.1	Confident	25 Å²	25	57.9 Å²	57.9	21%	0.207	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-41.4	175.3	0	0	0	0	0	112.1	S21 V22 I27 E28 A29	S21-A25 WeakPolarHBondContact O-CB 3.44Å; S21-A25 PolarHBondContact O-N 3.17Å; V22-A25 PolarHBondContact O-N 2.65Å; A25-I27 VanDerWaalsContact C-N 3.35Å; A25-I27 PolarHBondContact O-N 3.28Å; A25-E28 PolarHBondContact O-N 2.9Å; A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.23Å
26	N	92.9	Very high	87.6	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.011	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-43.2	173.8	-72	-26.3	0	0	0	111.8	V22 Q23 L24 G30 H74 A76	V22-N26 WeakPolarHBondContact O-CB 3.44Å; V22-N26 PolarHBondContact O-N 3.18Å; V22-N26 PolarHBondContact O-ND2 2.98Å; Q23-N26 PolarHBondContact O-N 3.36Å; L24-N26 PolarHBondContact O-N 3.36Å; N26-G30 PolarHBondContact O-N 3.15Å; N26-H74 PolarHBondContact OD1-CE1 2.8Å; N26-H74 VanDerWaalsContact OD1-CE1 3.26Å; N26-A76 HydrophobicContact CB-CB 4.13Å
27	I	93	Very high	89.1	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-45.2	177.1	-69.7	164.6	0	0	0	110.6	Q23 L24 A25 G30 K31 L106 A110 L113 L524	Q23-I27 WeakPolarHBondContact O-CD1 3.31Å; Q23-I27 VanDerWaalsContact O-CG1 3.22Å; Q23-I27 WeakPolarHBondContact O-CG1 3.45Å; Q23-I27 PolarHBondContact O-N 2.92Å; L24-I27 PolarHBondContact O-N 3.48Å; A25-I27 VanDerWaalsContact C-N 3.35Å; A25-I27 PolarHBondContact O-N 3.28Å; I27-G30 PolarHBondContact O-N 3.41Å; I27-K31 VanDerWaalsContact O-CB 3.29Å; I27-K31 WeakPolarHBondContact O-CB 3.41Å; I27-K31 PolarHBondContact O-N 3Å; I27-L106 HydrophobicContact CB-CB 4.37Å; I27-L106 HydrophobicContact CG1-CB 4.08Å; I27-L106 HydrophobicContact CG1-CD2 4.13Å; I27-L106 HydrophobicContact CG2-CB 4.05Å; I27-L106 WeakPolarHBondContact CG2-O 3.47Å; I27-A110 HydrophobicContact CD1-CB 4.09Å; I27-A110 HydrophobicContact CG2-CB 4.29Å; I27-L113 HydrophobicContact CD1-CD1 3.66Å; I27-L524 HydrophobicContact CD1-CD2 4.11Å; I27-L524 HydrophobicContact CG1-CD2 4.46Å
28	E	93.8	Very high	90.2	Very high	133 Å²	133	45.3 Å²	45.3	62%	0.621	25%	0.245	S	C	*	.	H	α-helix	trans	-63.4	-43.4	178.5	-174.9	173.2	-168.8	0	0	111.8	L24 A25 K31 T32	L24-E28 WeakPolarHBondContact O-CB 3.47Å; L24-E28 PolarHBondContact O-N 3.06Å; A25-E28 PolarHBondContact O-N 2.9Å; E28-K31 PolarHBondContact O-N 3.44Å; E28-T32 WeakPolarHBondContact O-CB 3.33Å; E28-T32 PolarHBondContact O-N 2.71Å; E28-T32 PolarHBondContact O-OG1 3.13Å
29	A	93.7	Very high	90.9	Very high	14 Å²	14	40.9 Å²	40.9	12%	0.116	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-47.4	175	0	0	0	0	0	111.6	A25 K31 T32 V33 H74 A76	A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.23Å; A29-K31 PolarHBondContact O-N 3.43Å; A29-T32 PolarHBondContact O-N 2.94Å; A29-V33 WeakPolarHBondContact O-CG2 3.46Å; A29-V33 PolarHBondContact O-N 3.09Å; A29-V33 VanDerWaalsContact O-N 3.13Å; A29-H74 HydrophobicContact CB-CB 4.23Å; A29-H74 WeakPolarHBondContact CB-ND1 3.27Å; A29-A76 HydrophobicContact CB-CB 4.24Å
30	G	92.9	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-41.2	177.2	0	0	0	0	0	112.9	N26 I27 V33 A34	N26-G30 PolarHBondContact O-N 3.15Å; I27-G30 PolarHBondContact O-N 3.41Å; G30-V33 PolarHBondContact O-N 2.84Å; G30-A34 PolarHBondContact O-N 3.36Å; G30-A34 VanDerWaalsContact O-N 3.11Å
31	K	93.6	Very high	91.9	Very high	93 Å²	93	36.2 Å²	36.2	40%	0.404	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-41.9	175.4	-175.9	-175.5	175	-173	0	112	I27 E28 A29 V33 A34 D35 A107	I27-K31 VanDerWaalsContact O-CB 3.29Å; I27-K31 WeakPolarHBondContact O-CB 3.41Å; I27-K31 PolarHBondContact O-N 3Å; E28-K31 PolarHBondContact O-N 3.44Å; A29-K31 PolarHBondContact O-N 3.43Å; K31-V33 PolarHBondContact O-N 3.12Å; K31-A34 WeakPolarHBondContact O-CB 3.46Å; K31-A34 PolarHBondContact O-N 3Å; K31-D35 WeakPolarHBondContact O-CB 3.31Å; K31-D35 PolarHBondContact O-N 2.67Å; K31-A107 HydrophobicContact CD-CB 4.49Å
32	T	93.9	Very high	92	Very high	78 Å²	78	33.6 Å²	33.6	48%	0.479	18%	0.182	S	C	.	.	H	α-helix	trans	-61.1	-44.7	178.8	-58.9	0	0	0	0	111	E28 A29 A34 D35 V36	E28-T32 WeakPolarHBondContact O-CB 3.33Å; E28-T32 PolarHBondContact O-N 2.71Å; E28-T32 PolarHBondContact O-OG1 3.13Å; A29-T32 PolarHBondContact O-N 2.94Å; T32-A34 VanDerWaalsContact C-N 3.34Å; T32-A34 PolarHBondContact O-N 3.42Å; T32-D35 PolarHBondContact O-N 3.31Å; T32-V36 WeakPolarHBondContact O-CG2 3.34Å; T32-V36 PolarHBondContact O-N 3.39Å; T32-V36 VanDerWaalsContact O-N 3.12Å
33	V	93.6	Very high	91.7	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-43.4	175.4	177	0	0	0	0	111.1	A29 G30 K31 D35 V36 L67 A77 M80 I99	A29-V33 WeakPolarHBondContact O-CG2 3.46Å; A29-V33 PolarHBondContact O-N 3.09Å; A29-V33 VanDerWaalsContact O-N 3.13Å; G30-V33 PolarHBondContact O-N 2.84Å; K31-V33 PolarHBondContact O-N 3.12Å; V33-D35 PolarHBondContact O-N 2.84Å; V33-V36 PolarHBondContact O-N 3.48Å; V33-L67 HydrophobicContact CG1-CD2 3.7Å; V33-A77 HydrophobicContact CG2-CB 3.59Å; V33-M80 HydrophobicContact CG1-CB 4.37Å; V33-I99 HydrophobicContact CG1-CG2 3.95Å
34	A	93.8	Very high	91.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-40.5	176.2	0	0	0	0	0	112.9	G30 K31 T32 V36 I37 R38 I99	G30-A34 PolarHBondContact O-N 3.36Å; G30-A34 VanDerWaalsContact O-N 3.11Å; K31-A34 WeakPolarHBondContact O-CB 3.46Å; K31-A34 PolarHBondContact O-N 3Å; T32-A34 VanDerWaalsContact C-N 3.34Å; T32-A34 PolarHBondContact O-N 3.42Å; A34-V36 VanDerWaalsContact C-N 3.33Å; A34-V36 PolarHBondContact O-N 3.33Å; A34-I37 PolarHBondContact O-N 3.34Å; A34-R38 WeakPolarHBondContact O-CB 3.26Å; A34-R38 PolarHBondContact O-N 3.13Å; A34-I99 HydrophobicContact CB-CG2 4.45Å; A34-I99 WeakPolarHBondContact CB-O 3.41Å
35	D	93	Very high	91.4	Very high	67 Å²	67	38.6 Å²	38.6	36%	0.358	21%	0.206	S	C	.	.	H	α-helix	trans	-64.7	-35.6	178.7	-82.2	-31.3	0	0	0	112.3	K31 T32 V33 I37 R38	K31-D35 WeakPolarHBondContact O-CB 3.31Å; K31-D35 PolarHBondContact O-N 2.67Å; T32-D35 PolarHBondContact O-N 3.31Å; V33-D35 PolarHBondContact O-N 2.84Å; D35-I37 PolarHBondContact O-N 3.42Å; D35-R38 IonicContact OD1-CZ 3.56Å; D35-R38 IonicContact OD1-NE 3.61Å; D35-R38 IonicContact OD1-NH1 3.04Å; D35-R38 PolarHBondContact OD1-NH1 3.12Å; D35-R38 IonicContact OD1-NH2 3.58Å
36	V	92.4	Very high	91.2	Very high	59 Å²	59	42.8 Å²	42.8	36%	0.358	22%	0.223	S	C	.	.	H	α-helix	trans	-59.8	-47.4	176.8	171.4	0	0	0	0	111.1	T32 V33 A34 K48 I70	T32-V36 WeakPolarHBondContact O-CG2 3.34Å; T32-V36 PolarHBondContact O-N 3.39Å; T32-V36 VanDerWaalsContact O-N 3.12Å; V33-V36 PolarHBondContact O-N 3.48Å; A34-V36 VanDerWaalsContact C-N 3.33Å; A34-V36 PolarHBondContact O-N 3.33Å; V36-K48 WeakPolarHBondContact O-CE 3.13Å; V36-K48 PolarHBondContact O-NZ 3.02Å; V36-I70 HydrophobicContact CG1-CD1 3.94Å
37	I	92.8	Very high	90.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-91.7	-5.4	-174.5	65	163.4	0	0	0	114.1	A34 D35 T39 C40 I66 L67 T96 I99 I100	A34-I37 PolarHBondContact O-N 3.34Å; D35-I37 PolarHBondContact O-N 3.42Å; I37-T39 PolarHBondContact O-N 3.42Å; I37-T39 VanDerWaalsContact O-N 3.09Å; I37-C40 VanDerWaalsContact O-CB 3.27Å; I37-C40 WeakPolarHBondContact O-CB 3.4Å; I37-C40 PolarHBondContact O-N 2.96Å; I37-I66 HydrophobicContact CG2-CG2 4.26Å; I37-L67 HydrophobicContact CD1-CD1 4.34Å; I37-L67 HydrophobicContact CG2-CD2 3.89Å; I37-L67 HydrophobicContact CG2-CG 4.05Å; I37-T96 HydrophobicContact CD1-CG2 4.03Å; I37-T96 HydrophobicContact CG1-CG2 4.44Å; I37-I99 HydrophobicContact CD1-CB 3.44Å; I37-I99 VanDerWaalsContact CD1-CB 3.44Å; I37-I99 HydrophobicContact CD1-CG1 4.19Å; I37-I99 HydrophobicContact CD1-CG2 3.38Å; I37-I99 HydrophobicContact CG1-CG2 4.1Å; I37-I100 HydrophobicContact CD1-CG1 4.43Å; I37-I100 HydrophobicContact CG1-CG1 4.33Å
38	R	92.2	Very high	90.8	Very high	42 Å²	42	49.4 Å²	49.4	16%	0.158	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55.2	-31.8	-177.2	-170.8	172.5	-77.9	-179.5	-17.7	113.5	A34 D35 C40 E104 T455 N459	A34-R38 WeakPolarHBondContact O-CB 3.26Å; A34-R38 PolarHBondContact O-N 3.13Å; D35-R38 IonicContact OD1-CZ 3.56Å; D35-R38 IonicContact OD1-NE 3.61Å; D35-R38 IonicContact OD1-NH1 3.04Å; D35-R38 PolarHBondContact OD1-NH1 3.12Å; D35-R38 IonicContact OD1-NH2 3.58Å; R38-C40 PolarHBondContact O-N 3.43Å; R38-E104 IonicContact NH2-OE2 3.55Å; R38-E104 PolarHBondContact NH2-OE2 3.08Å; R38-T455 HydrophobicContact CG-CG2 3.54Å; R38-T455 WeakPolarHBondContact O-CG2 3.4Å; R38-N459 PolarHBondContact O-ND2 2.84Å; R38-N459 VanDerWaalsContact O-ND2 3.14Å
39	T	92.2	Very high	90.6	Very high	39 Å²	39	49.4 Å²	49.4	24%	0.239	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-74.6	-8	177.6	58.6	0	0	0	0	114.3	I37 M46 K48	I37-T39 PolarHBondContact O-N 3.42Å; I37-T39 VanDerWaalsContact O-N 3.09Å; T39-M46 HydrophobicContact CG2-CE 3.61Å; T39-M46 PolarHBondContact O-N 3.42Å; T39-K48 PolarHBondContact OG1-NZ 3.48Å
40	C	90.2	Very high	90.4	Very high	8 Å²	8	50 Å²	50	5%	0.054	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-96	0.2	-178	-58.5	0	0	0	0	112.8	I37 R38 A45 K48 I66 T96	I37-C40 VanDerWaalsContact O-CB 3.27Å; I37-C40 WeakPolarHBondContact O-CB 3.4Å; I37-C40 PolarHBondContact O-N 2.96Å; R38-C40 PolarHBondContact O-N 3.43Å; C40-A45 VanDerWaalsContact C-CB 3.49Å; C40-A45 WeakPolarHBondContact O-CB 3.36Å; C40-K48 WeakPolarHBondContact SG-CE 3.37Å; C40-I66 HydrophobicContact CB-CD1 4.4Å; C40-I66 WeakPolarHBondContact SG-CD1 3.07Å; C40-T96 HydrophobicContact CB-CG2 4.48Å
41	L	90.5	Very high	90.2	Very high	17 Å²	17	57.6 Å²	57.6	9%	0.089	30%	0.295	C	S	.	.	S	Bend	trans	-88.8	128.5	179.7	-173.5	72.8	0	0	0	112.3	T96 S97 I100 I452 T455 L456 N459	L41-T96 HydrophobicContact CB-CG2 4.15Å; L41-T96 HydrophobicContact CD1-CG2 4.29Å; L41-S97 WeakPolarHBondContact CD1-OG 3.4Å; L41-I100 HydrophobicContact CB-CD1 3.92Å; L41-I100 HydrophobicContact CD2-CD1 3.97Å; L41-I100 HydrophobicContact CG-CD1 4.38Å; L41-I452 HydrophobicContact CD2-CD1 3.84Å; L41-I452 HydrophobicContact CD2-CG2 4.34Å; L41-T455 HydrophobicContact CB-CG2 4.05Å; L41-T455 HydrophobicContact CD2-CG2 3.84Å; L41-L456 HydrophobicContact CD2-CD2 4.46Å; L41-L456 HydrophobicContact CG-CD2 4.18Å; L41-N459 PolarHBondContact O-ND2 3.46Å
42	G	87.1	Confident	89.9	Confident	12 Å²	12	55.1 Å²	55.1	12%	0.124	29%	0.287	C	S	.	.	S	Bend	trans	98.6	177.5	170.9	0	0	0	0	0	114.9	R44 A45 L456	G42-R44 VanDerWaalsContact C-N 3.27Å; G42-R44 PolarHBondContact O-N 3.19Å; G42-A45 WeakPolarHBondContact O-CB 3.48Å; G42-A45 PolarHBondContact O-N 3.44Å; G42-L456 VanDerWaalsContact CA-CD2 3.42Å
43	P	83.6	Confident	89.6	Confident	53 Å²	53	57.5 Å²	57.5	34%	0.344	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.9	-172.9	28.9	-35.8	0	0	0	114.6	T163 V490	P43-T163 HydrophobicContact CB-CG2 4.19Å; P43-V490 HydrophobicContact CB-CG2 4.44Å; P43-V490 HydrophobicContact CG-CG2 4.27Å
44	R	85.9	Confident	89.5	Confident	129 Å²	129	65 Å²	65	49%	0.487	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	31.5	169.9	-70.3	-173.5	166.7	-175.3	0.4	111.9	G42 C460 V490	G42-R44 VanDerWaalsContact C-N 3.27Å; G42-R44 PolarHBondContact O-N 3.19Å; R44-C460 PolarHBondContact NH1-O 2.9Å; R44-V490 PolarHBondContact NE-O 3.42Å; R44-V490 PolarHBondContact NH1-O 3.25Å; R44-V490 PolarHBondContact NH2-O 3.41Å
45	A	86.9	Confident	89.1	Confident	20 Å²	20	67.6 Å²	67.6	17%	0.165	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-58.6	135.6	172.8	0	0	0	0	0	110.7	C40 G42 N61	C40-A45 VanDerWaalsContact C-CB 3.49Å; C40-A45 WeakPolarHBondContact O-CB 3.36Å; G42-A45 WeakPolarHBondContact O-CB 3.48Å; G42-A45 PolarHBondContact O-N 3.44Å; A45-N61 HydrophobicContact CB-CB 4.36Å
46	M	86.7	Confident	88.8	Confident	113 Å²	113	65.9 Å²	65.9	56%	0.557	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-84.5	137.1	174.4	-64.8	-171.4	-69.9	0	0	110	T39	T39-M46 HydrophobicContact CG2-CE 3.61Å; T39-M46 PolarHBondContact O-N 3.42Å
47	L	87.7	Confident	88.5	Confident	98 Å²	98	67.7 Å²	67.7	51%	0.513	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-67.8	141.7	171	-68.5	167.7	0	0	0	109.8	N61	L47-N61 HydrophobicContact CD2-CB 3.81Å
48	K	89.7	Confident	88.1	Confident	52 Å²	52	68.9 Å²	68.9	23%	0.226	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.9	167.6	-68.5	-172.9	-172.4	-80.1	0	109.2	V36 T39 C40 M59 T60 I66	V36-K48 WeakPolarHBondContact O-CE 3.13Å; V36-K48 PolarHBondContact O-NZ 3.02Å; T39-K48 PolarHBondContact OG1-NZ 3.48Å; C40-K48 WeakPolarHBondContact SG-CE 3.37Å; K48-M59 WeakPolarHBondContact O-CA 3.41Å; K48-T60 PolarHBondContact N-O 2.89Å; K48-T60 PolarHBondContact O-N 3.36Å; K48-T60 VanDerWaalsContact O-N 3.15Å; K48-I66 HydrophobicContact CB-CD1 4.16Å; K48-I66 HydrophobicContact CB-CG1 4.3Å; K48-I66 HydrophobicContact CD-CD1 3.83Å; K48-I66 HydrophobicContact CD-CG1 4.3Å; K48-I66 HydrophobicContact CD-CG2 4.06Å; K48-I66 HydrophobicContact CG-CD1 4.18Å
49	M	89.5	Confident	87.8	Confident	132 Å²	132	71.7 Å²	71.7	65%	0.65	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.7	170	-175.5	179	-75.9	0	0	107.6	I57 M59	M49-I57 HydrophobicContact CE-CG2 4.44Å; M49-I57 HydrophobicContact CG-CG2 3.66Å; M49-I57 HydrophobicContact SD-CG2 4.16Å; M49-M59 HydrophobicContact CB-CG 4.39Å; M49-M59 HydrophobicContact CE-CG 3.98Å; M49-M59 HydrophobicContact CE-SD 3.56Å; M49-M59 VanDerWaalsContact CE-SD 3.56Å; M49-M59 HydrophobicContact CG-CG 4.19Å
50	L	89.8	Confident	87.5	Confident	28 Å²	28	69.9 Å²	69.9	15%	0.147	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.6	178.4	-60.6	161	0	0	0	108	I57 V58 I66 E69	L50-I57 WeakPolarHBondContact O-CA 3.44Å; L50-V58 HydrophobicContact CB-CB 4.4Å; L50-V58 PolarHBondContact N-O 3.34Å; L50-V58 PolarHBondContact O-N 2.94Å; L50-I66 HydrophobicContact CD1-CB 4.12Å; L50-I66 HydrophobicContact CD1-CG1 3.95Å; L50-I66 HydrophobicContact CD1-CG2 4.19Å; L50-E69 HydrophobicContact CD1-CB 4.07Å; L50-E69 HydrophobicContact CD1-CG 4.16Å
51	M	89.3	Confident	87.3	Confident	159 Å²	159	70.2 Å²	70.2	78%	0.783	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.7	178.2	-176.3	176.3	67	0	0	108.3	G56	M51-G56 WeakPolarHBondContact CA-O 3.49Å
52	D	87.1	Confident	87.1	Confident	41 Å²	41	70.1 Å²	70.1	22%	0.219	38%	0.384	C	S	.	.			trans	-71.9	155.4	177.5	-62.2	-7.7	0	0	0	109.5	M54 G55 G56	D52-M54 PolarHBondContact O-N 3.23Å; D52-G55 PolarHBondContact O-N 2.64Å; D52-G56 PolarHBondContact N-O 2.97Å
53	P	88.7	Confident	87.1	Confident	128 Å²	128	69.5 Å²	69.5	83%	0.831	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.6	175.7	23.4	-33.7	0	0	0	113.5	G55	P53-G55 VanDerWaalsContact C-N 3.35Å
54	M	90.6	Very high	87.3	Confident	169 Å²	169	67.2 Å²	67.2	83%	0.833	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	1.1	175.7	-60	-62.8	108.6	0	0	113.6	D52	D52-M54 PolarHBondContact O-N 3.23Å
55	G	85.8	Confident	87.3	Confident	53 Å²	53	61.3 Å²	61.3	55%	0.546	34%	0.341	S	S	.	.	S	Bend	trans	82.9	8	-177.6	0	0	0	0	0	114.9	D52 P53	D52-G55 PolarHBondContact O-N 2.64Å; P53-G55 VanDerWaalsContact C-N 3.35Å
56	G	85.6	Confident	87.5	Confident	31 Å²	31	60.3 Å²	60.3	32%	0.32	33%	0.333	S	S	.	.			trans	-66.1	139.1	168.4	0	0	0	0	0	110.7	M51 D52	M51-G56 WeakPolarHBondContact CA-O 3.49Å; D52-G56 PolarHBondContact N-O 2.97Å
57	I	86.6	Confident	87.8	Confident	98 Å²	98	55.1 Å²	55.1	50%	0.503	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120	175.5	-58.3	175.3	0	0	0	108	M49 L50 M59	M49-I57 HydrophobicContact CE-CG2 4.44Å; M49-I57 HydrophobicContact CG-CG2 3.66Å; M49-I57 HydrophobicContact SD-CG2 4.16Å; L50-I57 WeakPolarHBondContact O-CA 3.44Å; I57-M59 HydrophobicContact CG2-CG 4.15Å
58	V	84.5	Confident	87.8	Confident	25 Å²	25	56.4 Å²	56.4	15%	0.152	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.9	173.6	-177.1	0	0	0	0	108.1	L50 T60	L50-V58 HydrophobicContact CB-CB 4.4Å; L50-V58 PolarHBondContact N-O 3.34Å; L50-V58 PolarHBondContact O-N 2.94Å; V58-T60 HydrophobicContact CG1-CG2 4.11Å
59	M	86.3	Confident	87.8	Confident	101 Å²	101	57.6 Å²	57.6	50%	0.498	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.3	172.6	-67.8	-174	-67.5	0	0	108.8	K48 M49 I57	K48-M59 WeakPolarHBondContact O-CA 3.41Å; M49-M59 HydrophobicContact CB-CG 4.39Å; M49-M59 HydrophobicContact CE-CG 3.98Å; M49-M59 HydrophobicContact CE-SD 3.56Å; M49-M59 VanDerWaalsContact CE-SD 3.56Å; M49-M59 HydrophobicContact CG-CG 4.19Å; I57-M59 HydrophobicContact CG2-CG 4.15Å
60	T	85.5	Confident	87.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.5	-179.2	-171.1	0	0	0	0	111.3	K48 V58 D62 A65 I66 E390	K48-T60 PolarHBondContact N-O 2.89Å; K48-T60 PolarHBondContact O-N 3.36Å; K48-T60 VanDerWaalsContact O-N 3.15Å; V58-T60 HydrophobicContact CG1-CG2 4.11Å; T60-D62 PolarHBondContact OG1-N 2.75Å; T60-D62 VanDerWaalsContact OG1-N 3.15Å; T60-A65 HydrophobicContact CG2-CB 3.75Å; T60-I66 HydrophobicContact CG2-CG1 3.9Å; T60-E390 WeakPolarHBondContact CB-OE2 3.5Å; T60-E390 PolarHBondContact OG1-OE1 3.37Å; T60-E390 PolarHBondContact OG1-OE2 2.97Å; T60-E390 VanDerWaalsContact OG1-OE2 3.11Å
61	N	86.6	Confident	87.8	Confident	15 Å²	15	59.1 Å²	59.1	8%	0.08	33%	0.328	C	S	.	.			trans	-107.7	-0.7	168.7	62.2	-28.3	0	0	0	112.2	A45 L47 G63 T163	A45-N61 HydrophobicContact CB-CB 4.36Å; L47-N61 HydrophobicContact CD2-CB 3.81Å; N61-G63 PolarHBondContact O-N 3.11Å; N61-T163 PolarHBondContact ND2-O 3.14Å
62	D	85.7	Confident	87.8	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.08	30%	0.301	C	S	.	.			trans	-73.2	120.9	174.1	173.5	30.8	0	0	0	110.6	T60 N64 A65 I66	T60-D62 PolarHBondContact OG1-N 2.75Å; T60-D62 VanDerWaalsContact OG1-N 3.15Å; D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact O-N 3.34Å; D62-N64 PolarHBondContact OD1-N 3.1Å; D62-A65 HydrophobicContact CB-CB 4.1Å; D62-A65 PolarHBondContact O-N 2.74Å; D62-A65 PolarHBondContact OD2-N 3.22Å; D62-I66 WeakPolarHBondContact O-CD1 3.42Å; D62-I66 VanDerWaalsContact O-CG1 3.29Å; D62-I66 WeakPolarHBondContact O-CG1 3.33Å; D62-I66 PolarHBondContact O-N 3.34Å
63	G	86.7	Confident	87.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-35.9	-179.5	0	0	0	0	0	113.1	N61 I66 L67 T96	N61-G63 PolarHBondContact O-N 3.11Å; G63-I66 PolarHBondContact O-N 3.47Å; G63-L67 WeakPolarHBondContact O-CB 3.1Å; G63-L67 WeakPolarHBondContact O-CG 3.47Å; G63-L67 PolarHBondContact O-N 3.43Å; G63-T96 WeakPolarHBondContact CA-OG1 3.36Å; G63-T96 PolarHBondContact N-OG1 2.96Å
64	N	88.1	Confident	88	Confident	5 Å²	5	57 Å²	57	3%	0.027	31%	0.306	C	S	.	.	H	α-helix	trans	-71.8	-43.1	179.3	162.4	68.8	0	0	0	111.6	D62 I66 L67 R68 D88 T95	D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact O-N 3.34Å; D62-N64 PolarHBondContact OD1-N 3.1Å; N64-I66 VanDerWaalsContact C-N 3.28Å; N64-I66 PolarHBondContact O-N 2.89Å; N64-L67 PolarHBondContact O-N 2.68Å; N64-R68 PolarHBondContact ND2-NE 3.46Å; N64-R68 PolarHBondContact ND2-NH2 2.91Å; N64-R68 WeakPolarHBondContact O-CG 3.36Å; N64-R68 PolarHBondContact O-N 2.85Å; N64-R68 VanDerWaalsContact O-N 3.1Å; N64-R68 PolarHBondContact OD1-NE 3.25Å; N64-R68 PolarHBondContact OD1-NH2 3Å; N64-R68 VanDerWaalsContact OD1-NH2 3.15Å; N64-D88 HydrophobicContact CB-CB 4.36Å; N64-D88 PolarHBondContact ND2-OD1 3.49Å; N64-D88 PolarHBondContact ND2-OD2 3.36Å; N64-T95 HydrophobicContact CB-CG2 3.83Å
65	A	86.7	Confident	88.1	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-57.6	-41	171	0	0	0	0	0	112.3	T60 D62 R68	T60-A65 HydrophobicContact CG2-CB 3.75Å; D62-A65 HydrophobicContact CB-CB 4.1Å; D62-A65 PolarHBondContact O-N 2.74Å; D62-A65 PolarHBondContact OD2-N 3.22Å; A65-R68 PolarHBondContact O-N 3.25Å
66	I	91.2	Very high	88.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-47.5	176.3	-68	156.1	0	0	0	111.6	I37 C40 K48 L50 T60 D62 G63 N64 R68 E69 I70	I37-I66 HydrophobicContact CG2-CG2 4.26Å; C40-I66 HydrophobicContact CB-CD1 4.4Å; C40-I66 WeakPolarHBondContact SG-CD1 3.07Å; K48-I66 HydrophobicContact CB-CD1 4.16Å; K48-I66 HydrophobicContact CB-CG1 4.3Å; K48-I66 HydrophobicContact CD-CD1 3.83Å; K48-I66 HydrophobicContact CD-CG1 4.3Å; K48-I66 HydrophobicContact CD-CG2 4.06Å; K48-I66 HydrophobicContact CG-CD1 4.18Å; L50-I66 HydrophobicContact CD1-CB 4.12Å; L50-I66 HydrophobicContact CD1-CG1 3.95Å; L50-I66 HydrophobicContact CD1-CG2 4.19Å; T60-I66 HydrophobicContact CG2-CG1 3.9Å; D62-I66 WeakPolarHBondContact O-CD1 3.42Å; D62-I66 VanDerWaalsContact O-CG1 3.29Å; D62-I66 WeakPolarHBondContact O-CG1 3.33Å; D62-I66 PolarHBondContact O-N 3.34Å; G63-I66 PolarHBondContact O-N 3.47Å; N64-I66 VanDerWaalsContact C-N 3.28Å; N64-I66 PolarHBondContact O-N 2.89Å; I66-R68 PolarHBondContact O-N 3.19Å; I66-E69 PolarHBondContact O-N 3.4Å; I66-I70 HydrophobicContact CG2-CD1 3.68Å; I66-I70 HydrophobicContact CG2-CG1 4.49Å; I66-I70 WeakPolarHBondContact O-CG1 3.35Å; I66-I70 PolarHBondContact O-N 2.66Å
67	L	91.7	Very high	88.7	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-23.1	-176.1	-70.1	171	0	0	0	113.2	V33 I37 G63 N64 I81 A84 I99	V33-L67 HydrophobicContact CG1-CD2 3.7Å; I37-L67 HydrophobicContact CD1-CD1 4.34Å; I37-L67 HydrophobicContact CG2-CD2 3.89Å; I37-L67 HydrophobicContact CG2-CG 4.05Å; G63-L67 WeakPolarHBondContact O-CB 3.1Å; G63-L67 WeakPolarHBondContact O-CG 3.47Å; G63-L67 PolarHBondContact O-N 3.43Å; N64-L67 PolarHBondContact O-N 2.68Å; L67-I81 HydrophobicContact CB-CG1 4.29Å; L67-I81 HydrophobicContact CB-CG2 4.24Å; L67-I81 HydrophobicContact CD2-CG1 4.16Å; L67-I81 WeakPolarHBondContact O-CG2 3.27Å; L67-A84 HydrophobicContact CD1-CB 3.59Å; L67-I99 HydrophobicContact CD1-CG1 3.92Å
68	R	89	Confident	89.1	Confident	125 Å²	125	48.6 Å²	48.6	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-72.1	-33.1	175.4	-73.7	175.8	-169.3	-176.6	2.1	113.2	N64 A65 I66 D88	N64-R68 PolarHBondContact ND2-NE 3.46Å; N64-R68 PolarHBondContact ND2-NH2 2.91Å; N64-R68 WeakPolarHBondContact O-CG 3.36Å; N64-R68 PolarHBondContact O-N 2.85Å; N64-R68 VanDerWaalsContact O-N 3.1Å; N64-R68 PolarHBondContact OD1-NE 3.25Å; N64-R68 PolarHBondContact OD1-NH2 3Å; N64-R68 VanDerWaalsContact OD1-NH2 3.15Å; A65-R68 PolarHBondContact O-N 3.25Å; I66-R68 PolarHBondContact O-N 3.19Å; R68-D88 IonicContact CZ-OD2 3.51Å; R68-D88 IonicContact NH2-OD2 3.81Å; R68-D88 PolarHBondContact NH2-OD2 2.84Å
69	E	88.1	Confident	89.5	Confident	77 Å²	77	49 Å²	49	36%	0.36	25%	0.248	S	C	.	.	H	α-helix	trans	-84.5	-17	180	-55.2	-53.3	156.2	0	0	112.7	L50 I66	L50-E69 HydrophobicContact CD1-CB 4.07Å; L50-E69 HydrophobicContact CD1-CG 4.16Å; I66-E69 PolarHBondContact O-N 3.4Å
70	I	89.6	Confident	89.8	Confident	51 Å²	51	44.1 Å²	44.1	26%	0.262	22%	0.224	S	C	.	.			trans	-83.2	123.2	179.8	-63.4	168.7	0	0	0	110.1	V36 I66 V72	V36-I70 HydrophobicContact CG1-CD1 3.94Å; I66-I70 HydrophobicContact CG2-CD1 3.68Å; I66-I70 HydrophobicContact CG2-CG1 4.49Å; I66-I70 WeakPolarHBondContact O-CG1 3.35Å; I66-I70 PolarHBondContact O-N 2.66Å; I70-V72 HydrophobicContact CG2-CG1 3.79Å
71	T	89.8	Confident	90.1	Very high	141 Å²	141	45.4 Å²	45.4	87%	0.865	23%	0.231	S	C	*	.			trans	-87.9	126.3	168.5	55.1	0	0	0	0	110.2
72	V	90	Very high	90.4	Very high	36 Å²	36	50.9 Å²	50.9	22%	0.218	26%	0.256	C	S	.	.			trans	-122	140.1	177.9	-59.9	0	0	0	0	110.9	I70 A77 K78 I81	I70-V72 HydrophobicContact CG2-CG1 3.79Å; V72-A77 HydrophobicContact CB-CB 3.91Å; V72-A77 HydrophobicContact CG1-CB 4.25Å; V72-A77 HydrophobicContact CG2-CB 3.74Å; V72-K78 HydrophobicContact CG2-CB 4.33Å; V72-K78 HydrophobicContact CG2-CG 3.56Å; V72-K78 WeakPolarHBondContact O-CE 3.39Å; V72-I81 HydrophobicContact CB-CD1 4.35Å; V72-I81 HydrophobicContact CG1-CD1 3.82Å; V72-I81 HydrophobicContact CG2-CD1 3.54Å
73	E	90	Very high	90.7	Very high	186 Å²	186	51.3 Å²	51.3	87%	0.869	26%	0.258	S	S	*	.			trans	-84	-43.6	-179.8	-63.2	-173.2	164.9	0	0	111.9
74	H	90.7	Very high	91	Very high	61 Å²	61	51.3 Å²	51.3	28%	0.282	26%	0.258	S	S	.	.	S	Bend	trans	-68.4	130.9	-172.8	-164.9	-76.4	0	0	0	112.3	N26 A29 A76 A77 K78	N26-H74 PolarHBondContact OD1-CE1 2.8Å; N26-H74 VanDerWaalsContact OD1-CE1 3.26Å; A29-H74 HydrophobicContact CB-CB 4.23Å; A29-H74 WeakPolarHBondContact CB-ND1 3.27Å; H74-A76 WeakPolarHBondContact ND1-CB 3.38Å; H74-A76 PolarHBondContact ND1-N 2.85Å; H74-A76 VanDerWaalsContact ND1-N 3.18Å; H74-A76 PolarHBondContact O-N 3.36Å; H74-A77 HydrophobicContact CB-CB 4.29Å; H74-A77 WeakPolarHBondContact O-CB 3.27Å; H74-A77 PolarHBondContact O-N 2.88Å; H74-K78 PolarHBondContact O-N 3.48Å; H74-K78 VanDerWaalsContact O-N 3.11Å
75	P	91.4	Very high	91.1	Very high	62 Å²	62	57.8 Å²	57.8	40%	0.403	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-35.8	-174.8	23.9	-34.1	0	0	0	113.7	A77 K78 S79 V529	P75-A77 VanDerWaalsContact C-N 3.31Å; P75-A77 PolarHBondContact O-N 3.14Å; P75-K78 PolarHBondContact O-N 3.17Å; P75-S79 PolarHBondContact O-N 3.36Å; P75-S79 PolarHBondContact O-OG 3.42Å; P75-V529 HydrophobicContact CG-CG1 4.3Å
76	A	92	Very high	91.3	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-38.7	173.9	0	0	0	0	0	112.4	N26 A29 H74 S79 M80 L523	N26-A76 HydrophobicContact CB-CB 4.13Å; A29-A76 HydrophobicContact CB-CB 4.24Å; H74-A76 WeakPolarHBondContact ND1-CB 3.38Å; H74-A76 PolarHBondContact ND1-N 2.85Å; H74-A76 VanDerWaalsContact ND1-N 3.18Å; H74-A76 PolarHBondContact O-N 3.36Å; A76-S79 PolarHBondContact O-N 2.92Å; A76-M80 VanDerWaalsContact O-CG 3.32Å; A76-M80 WeakPolarHBondContact O-CG 3.29Å; A76-M80 PolarHBondContact O-N 3.42Å; A76-M80 VanDerWaalsContact O-N 3.08Å; A76-L523 HydrophobicContact CB-CD2 3.65Å
77	A	93.4	Very high	91.3	Very high	6 Å²	6	61.2 Å²	61.2	5%	0.05	30%	0.303	C	S	.	.	H	α-helix	trans	-67.9	-39.8	176.4	0	0	0	0	0	111.4	V33 V72 H74 P75 S79 M80 I81	V33-A77 HydrophobicContact CG2-CB 3.59Å; V72-A77 HydrophobicContact CB-CB 3.91Å; V72-A77 HydrophobicContact CG1-CB 4.25Å; V72-A77 HydrophobicContact CG2-CB 3.74Å; H74-A77 HydrophobicContact CB-CB 4.29Å; H74-A77 WeakPolarHBondContact O-CB 3.27Å; H74-A77 PolarHBondContact O-N 2.88Å; P75-A77 VanDerWaalsContact C-N 3.31Å; P75-A77 PolarHBondContact O-N 3.14Å; A77-S79 VanDerWaalsContact C-N 3.33Å; A77-S79 PolarHBondContact O-N 3.31Å; A77-M80 WeakPolarHBondContact O-CB 3.37Å; A77-M80 PolarHBondContact O-N 3.41Å; A77-I81 WeakPolarHBondContact O-CG1 3.22Å; A77-I81 PolarHBondContact O-N 3.42Å; A77-I81 VanDerWaalsContact O-N 3.09Å
78	K	93.2	Very high	91.2	Very high	106 Å²	106	62.2 Å²	62.2	46%	0.461	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-44.8	173.1	-65.2	-175.7	-179.2	175.8	0	111.7	V72 H74 P75 M80 I81 E82	V72-K78 HydrophobicContact CG2-CB 4.33Å; V72-K78 HydrophobicContact CG2-CG 3.56Å; V72-K78 WeakPolarHBondContact O-CE 3.39Å; H74-K78 PolarHBondContact O-N 3.48Å; H74-K78 VanDerWaalsContact O-N 3.11Å; P75-K78 PolarHBondContact O-N 3.17Å; K78-M80 VanDerWaalsContact C-N 3.3Å; K78-M80 PolarHBondContact O-N 2.95Å; K78-I81 PolarHBondContact O-N 3.01Å; K78-I81 VanDerWaalsContact O-N 3.12Å; K78-E82 WeakPolarHBondContact O-CG 3.38Å; K78-E82 PolarHBondContact O-N 2.93Å
79	S	93.2	Very high	91.2	Very high	32 Å²	32	61 Å²	61	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-40.8	178.1	-55.5	0	0	0	0	111.5	P75 A76 A77 E82 I83	P75-S79 PolarHBondContact O-N 3.36Å; P75-S79 PolarHBondContact O-OG 3.42Å; A76-S79 PolarHBondContact O-N 2.92Å; A77-S79 VanDerWaalsContact C-N 3.33Å; A77-S79 PolarHBondContact O-N 3.31Å; S79-E82 PolarHBondContact O-N 3.1Å; S79-I83 WeakPolarHBondContact O-CD1 3.48Å; S79-I83 WeakPolarHBondContact O-CG1 3.38Å; S79-I83 PolarHBondContact O-N 3.23Å; S79-I83 VanDerWaalsContact O-N 3.12Å
80	M	92.4	Very high	91	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-43.9	174.4	-66.8	-79.3	-65.7	0	0	111.8	V33 A76 A77 K78 I83 A84 I99 S102 T519 L523	V33-M80 HydrophobicContact CG1-CB 4.37Å; A76-M80 VanDerWaalsContact O-CG 3.32Å; A76-M80 WeakPolarHBondContact O-CG 3.29Å; A76-M80 PolarHBondContact O-N 3.42Å; A76-M80 VanDerWaalsContact O-N 3.08Å; A77-M80 WeakPolarHBondContact O-CB 3.37Å; A77-M80 PolarHBondContact O-N 3.41Å; K78-M80 VanDerWaalsContact C-N 3.3Å; K78-M80 PolarHBondContact O-N 2.95Å; M80-I83 PolarHBondContact O-N 3.32Å; M80-A84 PolarHBondContact O-N 3.17Å; M80-A84 VanDerWaalsContact O-N 3.1Å; M80-I99 HydrophobicContact CB-CD1 4.25Å; M80-I99 HydrophobicContact CE-CB 4.48Å; M80-I99 HydrophobicContact CE-CD1 4.07Å; M80-I99 HydrophobicContact CE-CG2 3.89Å; M80-I99 WeakPolarHBondContact O-CD1 3.28Å; M80-S102 VanDerWaalsContact CE-CB 3.49Å; M80-T519 HydrophobicContact SD-CG2 3.44Å; M80-T519 WeakPolarHBondContact SD-CG2 3.35Å; M80-L523 HydrophobicContact CG-CD1 4.07Å; M80-L523 HydrophobicContact SD-CD1 3.83Å
81	I	92.9	Very high	90.9	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.138	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-43.1	178.4	-66.3	171	0	0	0	111.3	L67 V72 A77 K78 I83 A84 R85	L67-I81 HydrophobicContact CB-CG1 4.29Å; L67-I81 HydrophobicContact CB-CG2 4.24Å; L67-I81 HydrophobicContact CD2-CG1 4.16Å; L67-I81 WeakPolarHBondContact O-CG2 3.27Å; V72-I81 HydrophobicContact CB-CD1 4.35Å; V72-I81 HydrophobicContact CG1-CD1 3.82Å; V72-I81 HydrophobicContact CG2-CD1 3.54Å; A77-I81 WeakPolarHBondContact O-CG1 3.22Å; A77-I81 PolarHBondContact O-N 3.42Å; A77-I81 VanDerWaalsContact O-N 3.09Å; K78-I81 PolarHBondContact O-N 3.01Å; K78-I81 VanDerWaalsContact O-N 3.12Å; I81-I83 VanDerWaalsContact C-N 3.25Å; I81-I83 PolarHBondContact O-N 3.2Å; I81-A84 WeakPolarHBondContact O-CB 3.45Å; I81-A84 PolarHBondContact O-N 3.07Å; I81-R85 PolarHBondContact O-N 2.86Å
82	E	92.4	Very high	90.5	Very high	130 Å²	130	54.1 Å²	54.1	61%	0.607	27%	0.266	S	S	*	.	H	α-helix	trans	-60.5	-37	177	-73	177.8	-178.2	0	0	111.9	K78 S79 R85 T86	K78-E82 WeakPolarHBondContact O-CG 3.38Å; K78-E82 PolarHBondContact O-N 2.93Å; S79-E82 PolarHBondContact O-N 3.1Å; E82-R85 WeakPolarHBondContact O-CB 3.44Å; E82-R85 PolarHBondContact O-N 3.47Å; E82-T86 PolarHBondContact O-N 2.84Å
83	I	92.4	Very high	90.2	Very high	24 Å²	24	53.9 Å²	53.9	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-70	-36.2	177.5	-67.5	157.9	0	0	0	111.8	S79 M80 I81 R85 T86 Q87 V98 T519	S79-I83 WeakPolarHBondContact O-CD1 3.48Å; S79-I83 WeakPolarHBondContact O-CG1 3.38Å; S79-I83 PolarHBondContact O-N 3.23Å; S79-I83 VanDerWaalsContact O-N 3.12Å; M80-I83 PolarHBondContact O-N 3.32Å; I81-I83 VanDerWaalsContact C-N 3.25Å; I81-I83 PolarHBondContact O-N 3.2Å; I83-R85 PolarHBondContact O-N 2.77Å; I83-T86 WeakPolarHBondContact CA-OG1 3.39Å; I83-T86 PolarHBondContact O-N 2.85Å; I83-T86 PolarHBondContact O-OG1 3.41Å; I83-Q87 WeakPolarHBondContact O-CB 3.43Å; I83-Q87 PolarHBondContact O-N 2.86Å; I83-V98 HydrophobicContact CG2-CG1 4.02Å; I83-T519 HydrophobicContact CD1-CG2 3.35Å; I83-T519 WeakPolarHBondContact CD1-OG1 3.28Å; I83-T519 WeakPolarHBondContact CG2-OG1 3.31Å
84	A	91.8	Very high	90	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-39.5	172.4	0	0	0	0	0	111.2	L67 M80 I81 Q87 D88 I99	L67-A84 HydrophobicContact CD1-CB 3.59Å; M80-A84 PolarHBondContact O-N 3.17Å; M80-A84 VanDerWaalsContact O-N 3.1Å; I81-A84 WeakPolarHBondContact O-CB 3.45Å; I81-A84 PolarHBondContact O-N 3.07Å; A84-Q87 PolarHBondContact O-N 2.88Å; A84-D88 WeakPolarHBondContact O-CB 3.39Å; A84-D88 PolarHBondContact O-N 3.46Å; A84-I99 HydrophobicContact CB-CD1 3.91Å; A84-I99 HydrophobicContact CB-CG1 3.89Å
85	R	91.2	Very high	90	Very high	140 Å²	140	42.7 Å²	42.7	53%	0.528	21%	0.214	S	C	.	.	H	α-helix	trans	-68.1	-41.9	177.9	-179.8	-178.2	166.4	-172.7	-4.2	112.4	I81 E82 I83 Q87 D88 E89	I81-R85 PolarHBondContact O-N 2.86Å; E82-R85 WeakPolarHBondContact O-CB 3.44Å; E82-R85 PolarHBondContact O-N 3.47Å; I83-R85 PolarHBondContact O-N 2.77Å; R85-Q87 VanDerWaalsContact C-N 3.33Å; R85-D88 WeakPolarHBondContact O-CB 3.19Å; R85-D88 PolarHBondContact O-N 3.02Å; R85-E89 IonicContact CZ-OE1 2.74Å; R85-E89 IonicContact NE-OE1 2.86Å; R85-E89 PolarHBondContact NE-OE1 3.3Å; R85-E89 IonicContact NH2-OE1 3.92Å; R85-E89 PolarHBondContact NH2-OE1 3.03Å; R85-E89 WeakPolarHBondContact O-CG 3.48Å; R85-E89 PolarHBondContact O-N 3.44Å
86	T	91.7	Very high	90	Very high	76 Å²	76	40.4 Å²	40.4	47%	0.466	20%	0.199	S	C	.	.	H	α-helix	trans	-67.4	-36.7	177.2	57.2	0	0	0	0	111.6	E82 I83 E89 E90	E82-T86 PolarHBondContact O-N 2.84Å; I83-T86 WeakPolarHBondContact CA-OG1 3.39Å; I83-T86 PolarHBondContact O-N 2.85Å; I83-T86 PolarHBondContact O-OG1 3.41Å; T86-E89 PolarHBondContact O-N 3.48Å; T86-E90 WeakPolarHBondContact O-CG 3.46Å; T86-E90 PolarHBondContact O-N 3.3Å; T86-E90 VanDerWaalsContact O-N 3.14Å
87	Q	91	Very high	90	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-45	173.2	-174.4	69.6	26.6	0	0	112	I83 A84 R85 E90 V91 T95 V98 T515	I83-Q87 WeakPolarHBondContact O-CB 3.43Å; I83-Q87 PolarHBondContact O-N 2.86Å; A84-Q87 PolarHBondContact O-N 2.88Å; R85-Q87 VanDerWaalsContact C-N 3.33Å; Q87-E90 PolarHBondContact O-N 3.01Å; Q87-V91 HydrophobicContact CG-CG2 4.17Å; Q87-V91 VanDerWaalsContact O-CG2 3.31Å; Q87-V91 WeakPolarHBondContact O-CG2 3.34Å; Q87-V91 PolarHBondContact O-N 3.43Å; Q87-V91 VanDerWaalsContact O-N 3.09Å; Q87-T95 HydrophobicContact CG-CG2 4.49Å; Q87-V98 HydrophobicContact CB-CG2 4.48Å; Q87-V98 HydrophobicContact CG-CG2 3.73Å; Q87-T515 VanDerWaalsContact OE1-CG2 3.3Å; Q87-T515 PolarHBondContact OE1-OG1 2.95Å
88	D	89.3	Confident	90.1	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.134	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-44.4	177.7	-172	67	0	0	0	112	N64 R68 A84 R85 E90 G92 T95	N64-D88 HydrophobicContact CB-CB 4.36Å; N64-D88 PolarHBondContact ND2-OD1 3.49Å; N64-D88 PolarHBondContact ND2-OD2 3.36Å; R68-D88 IonicContact CZ-OD2 3.51Å; R68-D88 IonicContact NH2-OD2 3.81Å; R68-D88 PolarHBondContact NH2-OD2 2.84Å; A84-D88 WeakPolarHBondContact O-CB 3.39Å; A84-D88 PolarHBondContact O-N 3.46Å; R85-D88 WeakPolarHBondContact O-CB 3.19Å; R85-D88 PolarHBondContact O-N 3.02Å; D88-E90 PolarHBondContact O-N 2.85Å; D88-G92 VanDerWaalsContact O-CA 3.22Å; D88-G92 WeakPolarHBondContact O-CA 3.37Å; D88-G92 PolarHBondContact O-N 2.9Å; D88-T95 HydrophobicContact CB-CG2 3.73Å
89	E	87.7	Confident	90.1	Very high	98 Å²	98	35.8 Å²	35.8	46%	0.458	18%	0.179	S	C	.	.	H	α-helix	trans	-67.6	-32.3	179.4	-70.9	179.3	-168.5	0	0	112.9	R85 T86	R85-E89 IonicContact CZ-OE1 2.74Å; R85-E89 IonicContact NE-OE1 2.86Å; R85-E89 PolarHBondContact NE-OE1 3.3Å; R85-E89 IonicContact NH2-OE1 3.92Å; R85-E89 PolarHBondContact NH2-OE1 3.03Å; R85-E89 WeakPolarHBondContact O-CG 3.48Å; R85-E89 PolarHBondContact O-N 3.44Å; T86-E89 PolarHBondContact O-N 3.48Å
90	E	85.9	Confident	90.2	Very high	113 Å²	113	34.3 Å²	34.3	53%	0.528	17%	0.169	S	C	.	.	H	α-helix	trans	-81	-53.5	-177.7	-74.8	-63.4	141.3	0	0	113.5	T86 Q87 D88 R403	T86-E90 WeakPolarHBondContact O-CG 3.46Å; T86-E90 PolarHBondContact O-N 3.3Å; T86-E90 VanDerWaalsContact O-N 3.14Å; Q87-E90 PolarHBondContact O-N 3.01Å; D88-E90 PolarHBondContact O-N 2.85Å; E90-R403 PolarHBondContact O-NH1 2.92Å
91	V	85.7	Confident	90.4	Very high	10 Å²	10	34.4 Å²	34.4	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-118.2	-15.6	-172	-63.7	0	0	0	0	114.3	Q87 D93 N400 N404 V508 Q511	Q87-V91 HydrophobicContact CG-CG2 4.17Å; Q87-V91 VanDerWaalsContact O-CG2 3.31Å; Q87-V91 WeakPolarHBondContact O-CG2 3.34Å; Q87-V91 PolarHBondContact O-N 3.43Å; Q87-V91 VanDerWaalsContact O-N 3.09Å; V91-D93 WeakPolarHBondContact CG2-O 3.25Å; V91-D93 PolarHBondContact O-N 2.91Å; V91-D93 VanDerWaalsContact O-N 3.09Å; V91-N400 WeakPolarHBondContact O-CB 3.23Å; V91-N404 PolarHBondContact O-ND2 2.92Å; V91-V508 HydrophobicContact CB-CG2 4.26Å; V91-Q511 HydrophobicContact CG1-CB 4.12Å; V91-Q511 HydrophobicContact CG1-CG 4.18Å
92	G	82.4	Confident	90.5	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	71.1	-13.1	-179.1	0	0	0	0	0	117	D88 N400	D88-G92 VanDerWaalsContact O-CA 3.22Å; D88-G92 WeakPolarHBondContact O-CA 3.37Å; D88-G92 PolarHBondContact O-N 2.9Å; G92-N400 WeakPolarHBondContact CA-ND2 3.26Å
93	D	84.2	Confident	90.6	Very high	32 Å²	32	26.9 Å²	26.9	17%	0.171	13%	0.134	C	C	.	.	S	Bend	trans	-132.1	164.7	178	-161.8	13.8	0	0	0	111.6	V91 T95 V401 V508	V91-D93 WeakPolarHBondContact CG2-O 3.25Å; V91-D93 PolarHBondContact O-N 2.91Å; V91-D93 VanDerWaalsContact O-N 3.09Å; D93-T95 VanDerWaalsContact C-N 3.32Å; D93-T95 PolarHBondContact O-N 3.48Å; D93-V401 HydrophobicContact CB-CG2 4.15Å; D93-V508 HydrophobicContact CB-CG1 4.28Å; D93-V508 HydrophobicContact CB-CG2 4.42Å
94	G	84.9	Confident	90.7	Very high	7 Å²	7	27.8 Å²	27.8	7%	0.072	14%	0.137	C	C	.	.			trans	79.8	8.7	179.4	0	0	0	0	0	114.8	T96 S97 V98	G94-T96 VanDerWaalsContact C-N 3.31Å; G94-T96 PolarHBondContact O-N 2.94Å; G94-S97 WeakPolarHBondContact O-CB 3.28Å; G94-S97 PolarHBondContact O-N 3.19Å; G94-S97 VanDerWaalsContact O-N 3.08Å; G94-V98 WeakPolarHBondContact O-CG2 3.28Å; G94-V98 PolarHBondContact O-N 3.49Å
95	T	89.9	Confident	90.8	Very high	5 Å²	5	28 Å²	28	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-52.5	-48.7	176.7	56.7	0	0	0	0	111.8	N64 Q87 D88 D93 V98 I99	N64-T95 HydrophobicContact CB-CG2 3.83Å; Q87-T95 HydrophobicContact CG-CG2 4.49Å; D88-T95 HydrophobicContact CB-CG2 3.73Å; D93-T95 VanDerWaalsContact C-N 3.32Å; D93-T95 PolarHBondContact O-N 3.48Å; T95-V98 PolarHBondContact O-N 2.98Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 3.39Å
96	T	91.9	Very high	90.9	Very high	14 Å²	14	21.3 Å²	21.3	9%	0.086	11%	0.113	C	C	.	.	H	α-helix	trans	-65.3	-40.6	177.8	-55.6	0	0	0	0	111.6	I37 C40 L41 G63 G94 I99 I100	I37-T96 HydrophobicContact CD1-CG2 4.03Å; I37-T96 HydrophobicContact CG1-CG2 4.44Å; C40-T96 HydrophobicContact CB-CG2 4.48Å; L41-T96 HydrophobicContact CB-CG2 4.15Å; L41-T96 HydrophobicContact CD1-CG2 4.29Å; G63-T96 WeakPolarHBondContact CA-OG1 3.36Å; G63-T96 PolarHBondContact N-OG1 2.96Å; G94-T96 VanDerWaalsContact C-N 3.31Å; G94-T96 PolarHBondContact O-N 2.94Å; T96-I99 PolarHBondContact O-N 2.95Å; T96-I100 HydrophobicContact CG2-CD1 3.7Å; T96-I100 HydrophobicContact CG2-CG1 4.44Å; T96-I100 VanDerWaalsContact O-CG1 3.27Å; T96-I100 WeakPolarHBondContact O-CG1 3.4Å; T96-I100 PolarHBondContact O-N 3.39Å; T96-I100 VanDerWaalsContact O-N 3.08Å
97	S	92.6	Very high	91	Very high	16 Å²	16	18.8 Å²	18.8	11%	0.112	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-41.2	179.5	-60.6	0	0	0	0	112.2	L41 G94 I99 I100 L101	L41-S97 WeakPolarHBondContact CD1-OG 3.4Å; G94-S97 WeakPolarHBondContact O-CB 3.28Å; G94-S97 PolarHBondContact O-N 3.19Å; G94-S97 VanDerWaalsContact O-N 3.08Å; S97-I99 PolarHBondContact O-N 3.36Å; S97-I100 PolarHBondContact O-N 3.05Å; S97-L101 VanDerWaalsContact O-CB 3.29Å; S97-L101 WeakPolarHBondContact O-CB 3.27Å; S97-L101 WeakPolarHBondContact O-CG 3.47Å; S97-L101 PolarHBondContact O-N 3.24Å
98	V	94.6	Very high	91.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.7	-49.9	176.6	169.3	0	0	0	0	110.8	I83 Q87 G94 T95 L101 S102 T512 T515	I83-V98 HydrophobicContact CG2-CG1 4.02Å; Q87-V98 HydrophobicContact CB-CG2 4.48Å; Q87-V98 HydrophobicContact CG-CG2 3.73Å; G94-V98 WeakPolarHBondContact O-CG2 3.28Å; G94-V98 PolarHBondContact O-N 3.49Å; T95-V98 PolarHBondContact O-N 2.98Å; V98-L101 PolarHBondContact O-N 3.3Å; V98-S102 VanDerWaalsContact O-CB 3.31Å; V98-S102 WeakPolarHBondContact O-CB 3.48Å; V98-S102 PolarHBondContact O-N 3.06Å; V98-S102 PolarHBondContact O-OG 3.06Å; V98-T512 HydrophobicContact CG2-CG2 3.76Å; V98-T515 VanDerWaalsContact CG2-OG1 3.3Å; V98-T515 WeakPolarHBondContact CG2-OG1 3.08Å
99	I	94.9	Very high	91.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.5	-39.2	-175.2	-61.1	-63.1	0	0	0	111.7	V33 A34 I37 L67 M80 A84 T95 T96 S97 G103	V33-I99 HydrophobicContact CG1-CG2 3.95Å; A34-I99 HydrophobicContact CB-CG2 4.45Å; A34-I99 WeakPolarHBondContact CB-O 3.41Å; I37-I99 HydrophobicContact CD1-CB 3.44Å; I37-I99 VanDerWaalsContact CD1-CB 3.44Å; I37-I99 HydrophobicContact CD1-CG1 4.19Å; I37-I99 HydrophobicContact CD1-CG2 3.38Å; I37-I99 HydrophobicContact CG1-CG2 4.1Å; L67-I99 HydrophobicContact CD1-CG1 3.92Å; M80-I99 HydrophobicContact CB-CD1 4.25Å; M80-I99 HydrophobicContact CE-CB 4.48Å; M80-I99 HydrophobicContact CE-CD1 4.07Å; M80-I99 HydrophobicContact CE-CG2 3.89Å; M80-I99 WeakPolarHBondContact O-CD1 3.28Å; A84-I99 HydrophobicContact CB-CD1 3.91Å; A84-I99 HydrophobicContact CB-CG1 3.89Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 3.39Å; T96-I99 PolarHBondContact O-N 2.95Å; S97-I99 PolarHBondContact O-N 3.36Å; I99-G103 PolarHBondContact O-N 3.48Å
100	I	95.1	Very high	91.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64	-45.5	174.8	-65.7	168.8	0	0	0	110.9	I37 L41 T96 S97 G103 E104 V451 I452	I37-I100 HydrophobicContact CD1-CG1 4.43Å; I37-I100 HydrophobicContact CG1-CG1 4.33Å; L41-I100 HydrophobicContact CB-CD1 3.92Å; L41-I100 HydrophobicContact CD2-CD1 3.97Å; L41-I100 HydrophobicContact CG-CD1 4.38Å; T96-I100 HydrophobicContact CG2-CD1 3.7Å; T96-I100 HydrophobicContact CG2-CG1 4.44Å; T96-I100 VanDerWaalsContact O-CG1 3.27Å; T96-I100 WeakPolarHBondContact O-CG1 3.4Å; T96-I100 PolarHBondContact O-N 3.39Å; T96-I100 VanDerWaalsContact O-N 3.08Å; S97-I100 PolarHBondContact O-N 3.05Å; I100-G103 PolarHBondContact O-N 3.04Å; I100-E104 WeakPolarHBondContact O-CB 3.31Å; I100-E104 PolarHBondContact O-N 3.06Å; I100-V451 HydrophobicContact CG2-CG1 3.88Å; I100-V451 HydrophobicContact CG2-CG2 3.89Å; I100-I452 HydrophobicContact CG2-CD1 4.36Å
101	L	95.3	Very high	91.5	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-65.5	-44.2	178.4	-77.1	167.5	0	0	0	111.6	S97 V98 G103 E104 M105 L449 V451 I452 T512 A516	S97-L101 VanDerWaalsContact O-CB 3.29Å; S97-L101 WeakPolarHBondContact O-CB 3.27Å; S97-L101 WeakPolarHBondContact O-CG 3.47Å; S97-L101 PolarHBondContact O-N 3.24Å; V98-L101 PolarHBondContact O-N 3.3Å; L101-G103 PolarHBondContact O-N 3.3Å; L101-E104 PolarHBondContact O-N 3.25Å; L101-M105 WeakPolarHBondContact O-CB 3.36Å; L101-M105 WeakPolarHBondContact O-CG 3.1Å; L101-M105 PolarHBondContact O-N 3.33Å; L101-L449 HydrophobicContact CD2-CD2 4.3Å; L101-V451 HydrophobicContact CD2-CG1 3.83Å; L101-I452 HydrophobicContact CD1-CD1 4.41Å; L101-I452 HydrophobicContact CD1-CG1 4.28Å; L101-I452 HydrophobicContact CD2-CD1 4.41Å; L101-I452 HydrophobicContact CD2-CG1 3.95Å; L101-I452 HydrophobicContact CG-CD1 4.04Å; L101-I452 HydrophobicContact CG-CG1 4.05Å; L101-T512 HydrophobicContact CD1-CG2 3.68Å; L101-A516 HydrophobicContact CB-CB 3.74Å
102	S	95	Very high	91.6	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.6	-49.2	174.5	-69.5	0	0	0	0	111.6	M80 V98 E104 M105 L106 A516	M80-S102 VanDerWaalsContact CE-CB 3.49Å; V98-S102 VanDerWaalsContact O-CB 3.31Å; V98-S102 WeakPolarHBondContact O-CB 3.48Å; V98-S102 PolarHBondContact O-N 3.06Å; V98-S102 PolarHBondContact O-OG 3.06Å; S102-E104 VanDerWaalsContact C-N 3.33Å; S102-E104 PolarHBondContact O-N 3.47Å; S102-M105 PolarHBondContact O-N 2.69Å; S102-L106 VanDerWaalsContact O-CG 3.3Å; S102-L106 WeakPolarHBondContact O-CG 3.47Å; S102-L106 PolarHBondContact O-N 3.45Å; S102-A516 WeakPolarHBondContact OG-CA 3.36Å; S102-A516 PolarHBondContact OG-O 2.88Å
103	G	94.6	Very high	91.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-39.2	179.2	0	0	0	0	0	112.7	I99 I100 L101 A107	I99-G103 PolarHBondContact O-N 3.48Å; I100-G103 PolarHBondContact O-N 3.04Å; L101-G103 PolarHBondContact O-N 3.3Å; G103-A107 WeakPolarHBondContact O-CB 3.39Å; G103-A107 PolarHBondContact O-N 3.46Å
104	E	94.7	Very high	92	Very high	42 Å²	42	17 Å²	17	20%	0.196	10%	0.099	C	C	.	.	H	α-helix	trans	-72.3	-40.6	177.1	-160.9	73.2	-166.4	0	0	112.2	R38 I100 L101 S102 L106 A107 V108 A448 V451	R38-E104 IonicContact NH2-OE2 3.55Å; R38-E104 PolarHBondContact NH2-OE2 3.08Å; I100-E104 WeakPolarHBondContact O-CB 3.31Å; I100-E104 PolarHBondContact O-N 3.06Å; L101-E104 PolarHBondContact O-N 3.25Å; S102-E104 VanDerWaalsContact C-N 3.33Å; S102-E104 PolarHBondContact O-N 3.47Å; E104-L106 VanDerWaalsContact C-N 3.25Å; E104-L106 PolarHBondContact O-N 2.94Å; E104-A107 WeakPolarHBondContact O-CB 3.4Å; E104-A107 PolarHBondContact O-N 3.15Å; E104-V108 HydrophobicContact CG-CG2 4.37Å; E104-V108 WeakPolarHBondContact O-CG2 3.48Å; E104-V108 PolarHBondContact O-N 3.26Å; E104-A448 HydrophobicContact CB-CB 4.42Å; E104-A448 HydrophobicContact CG-CB 4.03Å; E104-V451 HydrophobicContact CB-CB 4.14Å; E104-V451 HydrophobicContact CB-CG1 4.04Å; E104-V451 HydrophobicContact CB-CG2 4.18Å; E104-V451 HydrophobicContact CG-CB 3.85Å; E104-V451 HydrophobicContact CG-CG1 4.26Å; E104-V451 HydrophobicContact CG-CG2 3.99Å
105	M	94.5	Very high	92.1	Very high	4 Å²	4	23 Å²	23	2%	0.02	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-39.1	175.3	-71.1	-70.2	168.3	0	0	111.5	L101 S102 A109 M445 A448 L449 A520	L101-M105 WeakPolarHBondContact O-CB 3.36Å; L101-M105 WeakPolarHBondContact O-CG 3.1Å; L101-M105 PolarHBondContact O-N 3.33Å; S102-M105 PolarHBondContact O-N 2.69Å; M105-A109 WeakPolarHBondContact O-CB 3.39Å; M105-A109 PolarHBondContact O-N 3.03Å; M105-A109 VanDerWaalsContact O-N 3.11Å; M105-M445 HydrophobicContact SD-CB 4.39Å; M105-M445 HydrophobicContact SD-CG 4.15Å; M105-A448 HydrophobicContact CE-CB 3.61Å; M105-A448 HydrophobicContact CG-CB 4.26Å; M105-A448 HydrophobicContact SD-CB 3.58Å; M105-A448 VanDerWaalsContact SD-CB 3.58Å; M105-L449 HydrophobicContact CE-CD2 3.9Å; M105-L449 HydrophobicContact CE-CG 4.04Å; M105-A520 HydrophobicContact CB-CB 3.86Å
106	L	93.5	Very high	91.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-44.9	171.9	-70.8	171.4	0	0	0	112.1	I27 S102 E104 V108 A109 A110 A520 L523 L524	I27-L106 HydrophobicContact CB-CB 4.37Å; I27-L106 HydrophobicContact CG1-CB 4.08Å; I27-L106 HydrophobicContact CG1-CD2 4.13Å; I27-L106 HydrophobicContact CG2-CB 4.05Å; I27-L106 WeakPolarHBondContact CG2-O 3.47Å; S102-L106 VanDerWaalsContact O-CG 3.3Å; S102-L106 WeakPolarHBondContact O-CG 3.47Å; S102-L106 PolarHBondContact O-N 3.45Å; E104-L106 VanDerWaalsContact C-N 3.25Å; E104-L106 PolarHBondContact O-N 2.94Å; L106-V108 VanDerWaalsContact C-N 3.31Å; L106-V108 PolarHBondContact O-N 3.46Å; L106-A109 WeakPolarHBondContact O-CB 3.11Å; L106-A109 PolarHBondContact O-N 3.29Å; L106-A109 VanDerWaalsContact O-N 3.12Å; L106-A110 PolarHBondContact O-N 2.81Å; L106-A520 HydrophobicContact CD2-CB 4.13Å; L106-A520 HydrophobicContact CG-CB 4.22Å; L106-L523 HydrophobicContact CD1-CD1 3.63Å; L106-L523 HydrophobicContact CD2-CB 4.02Å; L106-L524 HydrophobicContact CD2-CD2 4.39Å; L106-L524 HydrophobicContact CD2-CG 4.07Å
107	A	93.7	Very high	91.6	Very high	24 Å²	24	30.2 Å²	30.2	20%	0.198	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-39.6	179.3	0	0	0	0	0	112.2	K31 G103 E104 A109 A110 P111	K31-A107 HydrophobicContact CD-CB 4.49Å; G103-A107 WeakPolarHBondContact O-CB 3.39Å; G103-A107 PolarHBondContact O-N 3.46Å; E104-A107 WeakPolarHBondContact O-CB 3.4Å; E104-A107 PolarHBondContact O-N 3.15Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A110 PolarHBondContact O-N 2.93Å; A107-P111 VanDerWaalsContact O-CD 3.25Å; A107-P111 WeakPolarHBondContact O-CD 3.46Å
108	V	91.6	Very high	91.4	Very high	24 Å²	24	35.4 Å²	35.4	15%	0.145	18%	0.179	C	C	.	.	H	α-helix	trans	-78	-20	177.7	-167.7	0	0	0	0	112.1	E104 L106 P111 A444 A448	E104-V108 HydrophobicContact CG-CG2 4.37Å; E104-V108 WeakPolarHBondContact O-CG2 3.48Å; E104-V108 PolarHBondContact O-N 3.26Å; L106-V108 VanDerWaalsContact C-N 3.31Å; L106-V108 PolarHBondContact O-N 3.46Å; V108-P111 WeakPolarHBondContact O-CD 3.35Å; V108-A444 HydrophobicContact CB-CB 4.37Å; V108-A444 VanDerWaalsContact CG1-CA 3.48Å; V108-A444 HydrophobicContact CG1-CB 3.24Å; V108-A444 WeakPolarHBondContact CG1-O 3.35Å; V108-A448 HydrophobicContact CG2-CB 3.95Å
109	A	91	Very high	91.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-71.7	-28.3	170.5	0	0	0	0	0	113.1	M105 L106 A107 C112 L113 F126 L524	M105-A109 WeakPolarHBondContact O-CB 3.39Å; M105-A109 PolarHBondContact O-N 3.03Å; M105-A109 VanDerWaalsContact O-N 3.11Å; L106-A109 WeakPolarHBondContact O-CB 3.11Å; L106-A109 PolarHBondContact O-N 3.29Å; L106-A109 VanDerWaalsContact O-N 3.12Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A109-C112 WeakPolarHBondContact O-CA 3.2Å; A109-C112 WeakPolarHBondContact O-CB 3.42Å; A109-C112 PolarHBondContact O-N 3.37Å; A109-L113 PolarHBondContact O-N 3.2Å; A109-L113 VanDerWaalsContact O-N 3.08Å; A109-F126 HydrophobicContact CB-CE2 4.45Å; A109-F126 HydrophobicContact CB-CZ 4.18Å; A109-L524 HydrophobicContact CB-CD1 3.95Å; A109-L524 HydrophobicContact CB-CD2 4.03Å
110	A	90.8	Very high	91	Very high	14 Å²	14	40.1 Å²	40.1	12%	0.116	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-50.1	-178	0	0	0	0	0	113.7	L24 I27 L106 A107 C112 L113 E114	L24-A110 HydrophobicContact CD2-CB 4.26Å; I27-A110 HydrophobicContact CD1-CB 4.09Å; I27-A110 HydrophobicContact CG2-CB 4.29Å; L106-A110 PolarHBondContact O-N 2.81Å; A107-A110 PolarHBondContact O-N 2.93Å; A110-C112 PolarHBondContact O-N 3.48Å; A110-L113 WeakPolarHBondContact O-CB 3.44Å; A110-L113 PolarHBondContact O-N 2.98Å; A110-E114 WeakPolarHBondContact O-CG 3.38Å; A110-E114 PolarHBondContact O-N 3.04Å
111	P	90.1	Very high	90.9	Very high	59 Å²	59	46 Å²	46	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-29	174.4	-25.8	33.6	0	0	0	114.1	A107 V108 K115	A107-P111 VanDerWaalsContact O-CD 3.25Å; A107-P111 WeakPolarHBondContact O-CD 3.46Å; V108-P111 WeakPolarHBondContact O-CD 3.35Å; P111-K115 WeakPolarHBondContact O-CG 3.47Å; P111-K115 PolarHBondContact O-N 3.09Å
112	C	87.8	Confident	90.7	Very high	7 Å²	7	45.9 Å²	45.9	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-71.3	-38.1	176.4	-62.1	0	0	0	0	111.4	A109 A110 K115 V117 I122	A109-C112 WeakPolarHBondContact O-CA 3.2Å; A109-C112 WeakPolarHBondContact O-CB 3.42Å; A109-C112 PolarHBondContact O-N 3.37Å; A110-C112 PolarHBondContact O-N 3.48Å; C112-K115 PolarHBondContact O-N 3.36Å; C112-V117 WeakPolarHBondContact O-CB 3.35Å; C112-V117 WeakPolarHBondContact O-CG2 3.47Å; C112-V117 PolarHBondContact O-N 2.91Å; C112-I122 HydrophobicContact CB-CD1 3.71Å; C112-I122 HydrophobicContact CB-CG1 4.36Å
113	L	87.9	Confident	90.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-37.1	175.3	-67.5	172.6	0	0	0	112.3	K20 Q23 I27 A109 A110 K115 Q116 A119 I122 L524	K20-L113 PolarHBondContact NZ-O 2.99Å; Q23-L113 HydrophobicContact CB-CD1 4.22Å; I27-L113 HydrophobicContact CD1-CD1 3.66Å; A109-L113 PolarHBondContact O-N 3.2Å; A109-L113 VanDerWaalsContact O-N 3.08Å; A110-L113 WeakPolarHBondContact O-CB 3.44Å; A110-L113 PolarHBondContact O-N 2.98Å; L113-K115 VanDerWaalsContact C-N 3.33Å; L113-Q116 PolarHBondContact O-N 3.22Å; L113-Q116 VanDerWaalsContact O-N 3.12Å; L113-A119 HydrophobicContact CD2-CB 4.31Å; L113-I122 HydrophobicContact CD2-CD1 3.72Å; L113-I122 HydrophobicContact CG-CD1 4.05Å; L113-L524 HydrophobicContact CD1-CD2 3.95Å
114	E	88.1	Confident	90.5	Very high	131 Å²	131	49 Å²	49	61%	0.612	26%	0.255	S	S	*	.	H	α-helix	trans	-62	-40.7	174.2	-72.6	175.4	-178	0	0	111.6	A110 Q116	A110-E114 WeakPolarHBondContact O-CG 3.38Å; A110-E114 PolarHBondContact O-N 3.04Å; E114-Q116 PolarHBondContact O-N 3.22Å
115	K	87.1	Confident	90.4	Very high	131 Å²	131	47.4 Å²	47.4	57%	0.57	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	14.5	173	-70	177.2	-174.5	177.7	0	114.4	P111 C112 L113 V117 M440	P111-K115 WeakPolarHBondContact O-CG 3.47Å; P111-K115 PolarHBondContact O-N 3.09Å; C112-K115 PolarHBondContact O-N 3.36Å; L113-K115 VanDerWaalsContact C-N 3.33Å; K115-V117 PolarHBondContact O-N 2.71Å; K115-M440 HydrophobicContact CD-CE 3.87Å; K115-M440 HydrophobicContact CD-SD 3.68Å
116	Q	83.2	Confident	90.3	Very high	147 Å²	147	47.4 Å²	47.4	69%	0.687	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	23.8	176.6	-53.9	-69.9	-29	0	0	114.1	L113 E114 H118	L113-Q116 PolarHBondContact O-N 3.22Å; L113-Q116 VanDerWaalsContact O-N 3.12Å; E114-Q116 PolarHBondContact O-N 3.22Å; Q116-H118 PolarHBondContact O-N 3.1Å
117	V	86.9	Confident	90.4	Very high	25 Å²	25	53 Å²	53	15%	0.152	27%	0.27	C	S	.	.			trans	-76.8	124.1	171.2	-176.5	0	0	0	0	109	C112 K115 A119 K121 I122 V437	C112-V117 WeakPolarHBondContact O-CB 3.35Å; C112-V117 WeakPolarHBondContact O-CG2 3.47Å; C112-V117 PolarHBondContact O-N 2.91Å; K115-V117 PolarHBondContact O-N 2.71Å; V117-A119 PolarHBondContact O-N 3.49Å; V117-K121 HydrophobicContact CG1-CB 4.18Å; V117-I122 HydrophobicContact CB-CD1 4.35Å; V117-I122 HydrophobicContact CB-CG1 4.38Å; V117-I122 HydrophobicContact CG1-CD1 4.29Å; V117-I122 HydrophobicContact CG1-CG1 3.78Å; V117-V437 HydrophobicContact CG1-CG1 3.5Å; V117-V437 VanDerWaalsContact CG1-CG1 3.5Å
118	H	89.3	Confident	90.4	Very high	124 Å²	124	57.1 Å²	57.1	57%	0.574	28%	0.283	S	S	*	.			trans	-61.9	133.8	177.8	-165.2	-78.8	0	0	0	111.6	Q116 T120 K121 I122	Q116-H118 PolarHBondContact O-N 3.1Å; H118-T120 PolarHBondContact CE1-OG1 3.47Å; H118-T120 WeakPolarHBondContact ND1-CB 3.39Å; H118-T120 PolarHBondContact ND1-N 3.11Å; H118-T120 PolarHBondContact ND1-OG1 3.38Å; H118-T120 PolarHBondContact O-N 3.4Å; H118-T120 VanDerWaalsContact O-N 3.1Å; H118-K121 WeakPolarHBondContact O-CB 3.32Å; H118-K121 PolarHBondContact O-N 2.96Å; H118-I122 PolarHBondContact O-N 3.35Å
119	A	89.5	Confident	90.4	Very high	11 Å²	11	56 Å²	56	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-51.3	-40.2	-175.9	0	0	0	0	0	113.1	L113 V117 K121 I122 I123	L113-A119 HydrophobicContact CD2-CB 4.31Å; V117-A119 PolarHBondContact O-N 3.49Å; A119-K121 VanDerWaalsContact C-N 3.27Å; A119-K121 PolarHBondContact O-N 3.37Å; A119-I122 WeakPolarHBondContact O-CA 3.46Å; A119-I122 WeakPolarHBondContact O-CB 3.4Å; A119-I122 PolarHBondContact O-N 2.79Å; A119-I123 HydrophobicContact CB-CD1 4.39Å; A119-I123 WeakPolarHBondContact O-CD1 3.29Å; A119-I123 VanDerWaalsContact O-CG1 3.31Å; A119-I123 WeakPolarHBondContact O-CG1 3.27Å; A119-I123 PolarHBondContact O-N 3.39Å
120	T	91.6	Very high	90.6	Very high	88 Å²	88	56.4 Å²	56.4	54%	0.54	28%	0.278	S	S	.	.	H	α-helix	trans	-54.3	-36.5	175.7	-44.8	0	0	0	0	114.2	H118 S124	H118-T120 PolarHBondContact CE1-OG1 3.47Å; H118-T120 WeakPolarHBondContact ND1-CB 3.39Å; H118-T120 PolarHBondContact ND1-N 3.11Å; H118-T120 PolarHBondContact ND1-OG1 3.38Å; H118-T120 PolarHBondContact O-N 3.4Å; H118-T120 VanDerWaalsContact O-N 3.1Å; T120-S124 WeakPolarHBondContact O-CB 3.28Å; T120-S124 PolarHBondContact O-N 3.2Å; T120-S124 PolarHBondContact O-OG 3.36Å
121	K	91.5	Very high	90.8	Very high	124 Å²	124	60.4 Å²	60.4	54%	0.539	30%	0.298	S	S	.	.	H	α-helix	trans	-73.7	-34.5	177.3	-68	-174.8	178.6	178.6	0	111.8	V117 H118 A119 S124 S125 V437	V117-K121 HydrophobicContact CG1-CB 4.18Å; H118-K121 WeakPolarHBondContact O-CB 3.32Å; H118-K121 PolarHBondContact O-N 2.96Å; A119-K121 VanDerWaalsContact C-N 3.27Å; A119-K121 PolarHBondContact O-N 3.37Å; K121-S124 PolarHBondContact O-OG 2.91Å; K121-S124 VanDerWaalsContact O-OG 3.09Å; K121-S125 WeakPolarHBondContact O-CB 3.4Å; K121-S125 PolarHBondContact O-N 3.36Å; K121-S125 PolarHBondContact O-OG 3.48Å; K121-V437 HydrophobicContact CB-CG1 4.07Å; K121-V437 HydrophobicContact CD-CG1 4.49Å
122	I	91.4	Very high	90.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-49.4	174.1	-56.9	174.4	0	0	0	109.1	C112 L113 V117 H118 A119 S124 S125 F126 V441 L524	C112-I122 HydrophobicContact CB-CD1 3.71Å; C112-I122 HydrophobicContact CB-CG1 4.36Å; L113-I122 HydrophobicContact CD2-CD1 3.72Å; L113-I122 HydrophobicContact CG-CD1 4.05Å; V117-I122 HydrophobicContact CB-CD1 4.35Å; V117-I122 HydrophobicContact CB-CG1 4.38Å; V117-I122 HydrophobicContact CG1-CD1 4.29Å; V117-I122 HydrophobicContact CG1-CG1 3.78Å; H118-I122 PolarHBondContact O-N 3.35Å; A119-I122 WeakPolarHBondContact O-CA 3.46Å; A119-I122 WeakPolarHBondContact O-CB 3.4Å; A119-I122 PolarHBondContact O-N 2.79Å; I122-S124 PolarHBondContact O-N 3.43Å; I122-S125 WeakPolarHBondContact O-CB 3.31Å; I122-S125 PolarHBondContact O-N 3.48Å; I122-S125 VanDerWaalsContact O-N 3.14Å; I122-F126 HydrophobicContact CG2-CD1 4.35Å; I122-F126 HydrophobicContact CG2-CD2 4.39Å; I122-F126 HydrophobicContact CG2-CE1 4.12Å; I122-F126 HydrophobicContact CG2-CE2 4.14Å; I122-F126 HydrophobicContact CG2-CZ 4.01Å; I122-F126 PolarHBondContact O-N 3.24Å; I122-V441 HydrophobicContact CG1-CG2 4.35Å; I122-V441 HydrophobicContact CG2-CG1 4.37Å; I122-V441 HydrophobicContact CG2-CG2 4.35Å; I122-L524 HydrophobicContact CG2-CD1 4.18Å
123	I	92.6	Very high	91.1	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-46.7	179.1	-70.1	159.5	0	0	0	111.9	A119 S125 F126 R127 I521 L524 R525	A119-I123 HydrophobicContact CB-CD1 4.39Å; A119-I123 WeakPolarHBondContact O-CD1 3.29Å; A119-I123 VanDerWaalsContact O-CG1 3.31Å; A119-I123 WeakPolarHBondContact O-CG1 3.27Å; A119-I123 PolarHBondContact O-N 3.39Å; I123-S125 VanDerWaalsContact C-N 3.28Å; I123-S125 PolarHBondContact O-N 2.78Å; I123-F126 PolarHBondContact O-N 2.82Å; I123-R127 WeakPolarHBondContact O-CG 3.44Å; I123-R127 PolarHBondContact O-N 2.93Å; I123-I521 HydrophobicContact CB-CG2 4.42Å; I123-I521 HydrophobicContact CG1-CG2 4.22Å; I123-I521 HydrophobicContact CG2-CB 4.4Å; I123-I521 HydrophobicContact CG2-CG1 4.19Å; I123-I521 HydrophobicContact CG2-CG2 3.5Å; I123-I521 VanDerWaalsContact CG2-CG2 3.5Å; I123-L524 HydrophobicContact CD1-CB 4.35Å; I123-L524 HydrophobicContact CG1-CB 4.27Å; I123-R525 HydrophobicContact CD1-CG 3.46Å; I123-R525 VanDerWaalsContact CD1-CG 3.46Å
124	S	92.9	Very high	91.4	Very high	55 Å²	55	61.3 Å²	61.3	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-33.7	179.3	63.7	0	0	0	0	112.1	T120 K121 I122 K128	T120-S124 WeakPolarHBondContact O-CB 3.28Å; T120-S124 PolarHBondContact O-N 3.2Å; T120-S124 PolarHBondContact O-OG 3.36Å; K121-S124 PolarHBondContact O-OG 2.91Å; K121-S124 VanDerWaalsContact O-OG 3.09Å; I122-S124 PolarHBondContact O-N 3.43Å; S124-K128 WeakPolarHBondContact O-CG 3.49Å; S124-K128 PolarHBondContact O-N 3.11Å
125	S	92.6	Very high	91.6	Very high	7 Å²	7	58.5 Å²	58.5	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-71.4	-40.4	174.8	-57.2	0	0	0	0	111.9	K121 I122 I123 R127 K128 G129 Y442	K121-S125 WeakPolarHBondContact O-CB 3.4Å; K121-S125 PolarHBondContact O-N 3.36Å; K121-S125 PolarHBondContact O-OG 3.48Å; I122-S125 WeakPolarHBondContact O-CB 3.31Å; I122-S125 PolarHBondContact O-N 3.48Å; I122-S125 VanDerWaalsContact O-N 3.14Å; I123-S125 VanDerWaalsContact C-N 3.28Å; I123-S125 PolarHBondContact O-N 2.78Å; S125-R127 PolarHBondContact O-N 2.99Å; S125-K128 PolarHBondContact O-N 3.02Å; S125-G129 PolarHBondContact O-N 3.03Å; S125-Y442 WeakPolarHBondContact O-CE1 3.46Å
126	F	94	Very high	91.8	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-43.5	173.4	-82.2	2.4	0	0	0	112.4	A109 I122 I123 G129 L130 V441 M445 I517 A520 I521 L524	A109-F126 HydrophobicContact CB-CE2 4.45Å; A109-F126 HydrophobicContact CB-CZ 4.18Å; I122-F126 HydrophobicContact CG2-CD1 4.35Å; I122-F126 HydrophobicContact CG2-CD2 4.39Å; I122-F126 HydrophobicContact CG2-CE1 4.12Å; I122-F126 HydrophobicContact CG2-CE2 4.14Å; I122-F126 HydrophobicContact CG2-CZ 4.01Å; I122-F126 PolarHBondContact O-N 3.24Å; I123-F126 PolarHBondContact O-N 2.82Å; F126-G129 PolarHBondContact O-N 3.34Å; F126-L130 WeakPolarHBondContact O-CB 3.4Å; F126-L130 PolarHBondContact O-N 3.06Å; F126-V441 HydrophobicContact CD1-CG1 3.3Å; F126-V441 HydrophobicContact CE1-CG1 3.38Å; F126-V441 HydrophobicContact CG-CG1 4.49Å; F126-M445 HydrophobicContact CD1-CE 4.32Å; F126-M445 HydrophobicContact CD1-CG 3.57Å; F126-M445 HydrophobicContact CD1-SD 3.44Å; F126-M445 WeakPolarHBondContact CD1-SD 3.49Å; F126-M445 HydrophobicContact CE1-CG 3.44Å; F126-M445 VanDerWaalsContact CE1-CG 3.44Å; F126-M445 HydrophobicContact CE1-SD 3.99Å; F126-M445 HydrophobicContact CG-SD 4.3Å; F126-M445 HydrophobicContact CZ-CG 4.48Å; F126-I517 HydrophobicContact CB-CG2 4.01Å; F126-A520 HydrophobicContact CE2-CB 4.3Å; F126-I521 HydrophobicContact CB-CD1 4.06Å; F126-I521 HydrophobicContact CB-CG1 3.99Å; F126-I521 HydrophobicContact CD2-CG1 4.19Å; F126-L524 HydrophobicContact CD2-CD1 4.18Å; F126-L524 HydrophobicContact CE2-CD1 3.72Å
127	R	94.5	Very high	92.1	Very high	119 Å²	119	45.8 Å²	45.8	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-49	176.2	-72.7	-179.8	172.1	-162.7	-13.6	112.3	I123 S125 G129 L130 D131 I521 R525	I123-R127 WeakPolarHBondContact O-CG 3.44Å; I123-R127 PolarHBondContact O-N 2.93Å; S125-R127 PolarHBondContact O-N 2.99Å; R127-G129 VanDerWaalsContact C-N 3.32Å; R127-G129 PolarHBondContact O-N 3.23Å; R127-L130 WeakPolarHBondContact O-CB 3.42Å; R127-L130 PolarHBondContact O-N 2.96Å; R127-D131 PolarHBondContact O-N 3.09Å; R127-I521 HydrophobicContact CG-CD1 3.5Å; R127-R525 VanDerWaalsContact CZ-NH2 3.29Å
128	K	92.9	Very high	92.2	Very high	109 Å²	109	52.2 Å²	52.2	47%	0.474	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-41.3	177.3	-69.9	-179.6	178.6	-175.3	0	112	S124 S125 L130 D131 D132 Y442	S124-K128 WeakPolarHBondContact O-CG 3.49Å; S124-K128 PolarHBondContact O-N 3.11Å; S125-K128 PolarHBondContact O-N 3.02Å; K128-L130 VanDerWaalsContact C-N 3.33Å; K128-L130 PolarHBondContact O-N 2.91Å; K128-D131 PolarHBondContact O-N 3.48Å; K128-D132 WeakPolarHBondContact O-CB 3.48Å; K128-D132 PolarHBondContact O-N 3.03Å; K128-Y442 VanDerWaalsContact CB-OH 3.32Å; K128-Y442 WeakPolarHBondContact CB-OH 3.32Å
129	G	92.7	Very high	92.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-39.9	175.6	0	0	0	0	0	112.4	S125 F126 R127 D132 M133 Y442	S125-G129 PolarHBondContact O-N 3.03Å; F126-G129 PolarHBondContact O-N 3.34Å; R127-G129 VanDerWaalsContact C-N 3.32Å; R127-G129 PolarHBondContact O-N 3.23Å; G129-D132 WeakPolarHBondContact O-CB 3.33Å; G129-D132 PolarHBondContact O-N 3.32Å; G129-M133 WeakPolarHBondContact O-CE 3.41Å; G129-M133 VanDerWaalsContact O-CG 3.31Å; G129-M133 WeakPolarHBondContact O-CG 3.42Å; G129-M133 PolarHBondContact O-N 3.24Å; G129-Y442 PolarHBondContact N-OH 3.28Å
130	L	94.3	Very high	91.9	Very high	10 Å²	10	59.1 Å²	59.1	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-50.1	174.2	171.8	63.4	0	0	0	111.7	F126 R127 K128 D132 M133 L134 L513 K514 I517	F126-L130 WeakPolarHBondContact O-CB 3.4Å; F126-L130 PolarHBondContact O-N 3.06Å; R127-L130 WeakPolarHBondContact O-CB 3.42Å; R127-L130 PolarHBondContact O-N 2.96Å; K128-L130 VanDerWaalsContact C-N 3.33Å; K128-L130 PolarHBondContact O-N 2.91Å; L130-D132 VanDerWaalsContact C-N 3.29Å; L130-D132 PolarHBondContact O-N 3.45Å; L130-M133 PolarHBondContact O-N 3.16Å; L130-M133 VanDerWaalsContact O-N 3.11Å; L130-L134 HydrophobicContact CD1-CD1 3.94Å; L130-L134 HydrophobicContact CD1-CD2 4.42Å; L130-L134 HydrophobicContact CD1-CG 3.95Å; L130-L134 HydrophobicContact CG-CD1 4.09Å; L130-L134 HydrophobicContact CG-CG 4.46Å; L130-L134 WeakPolarHBondContact O-CG 3.29Å; L130-L134 PolarHBondContact O-N 3.42Å; L130-L513 HydrophobicContact CD1-CB 4.3Å; L130-K514 HydrophobicContact CD1-CB 4.35Å; L130-K514 HydrophobicContact CD2-CG 4.33Å; L130-I517 HydrophobicContact CB-CB 4.49Å; L130-I517 HydrophobicContact CB-CD1 3.99Å; L130-I517 HydrophobicContact CB-CG2 4.1Å; L130-I517 HydrophobicContact CD1-CD1 3.92Å; L130-I517 HydrophobicContact CD2-CB 4.36Å; L130-I517 HydrophobicContact CD2-CG2 4.35Å; L130-I517 HydrophobicContact CG-CD1 4.48Å
131	D	94.6	Very high	91.6	Very high	99 Å²	99	55.5 Å²	55.5	53%	0.529	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-44.8	178.3	-65.2	-29.2	0	0	0	110.8	R127 K128 M133 L134 V135	R127-D131 PolarHBondContact O-N 3.09Å; K128-D131 PolarHBondContact O-N 3.48Å; D131-M133 VanDerWaalsContact C-N 3.31Å; D131-M133 PolarHBondContact O-N 3.17Å; D131-L134 PolarHBondContact O-N 3.27Å; D131-V135 WeakPolarHBondContact O-CG2 3.42Å; D131-V135 PolarHBondContact O-N 3.07Å; D131-V135 VanDerWaalsContact O-N 3.11Å
132	D	92.5	Very high	91.3	Very high	46 Å²	46	50.7 Å²	50.7	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-57.1	-41.9	175.6	-86	-42.9	0	0	0	112.6	K128 G129 L130 L136 K429 Y442	K128-D132 WeakPolarHBondContact O-CB 3.48Å; K128-D132 PolarHBondContact O-N 3.03Å; G129-D132 WeakPolarHBondContact O-CB 3.33Å; G129-D132 PolarHBondContact O-N 3.32Å; L130-D132 VanDerWaalsContact C-N 3.29Å; L130-D132 PolarHBondContact O-N 3.45Å; D132-L136 WeakPolarHBondContact O-CB 3.33Å; D132-L136 WeakPolarHBondContact O-CD1 3.3Å; D132-L136 WeakPolarHBondContact O-CG 3.49Å; D132-L136 PolarHBondContact O-N 3.03Å; D132-K429 HydrophobicContact CB-CD 4.27Å; D132-K429 VanDerWaalsContact CG-NZ 3.33Å; D132-K429 IonicContact OD1-NZ 2.85Å; D132-K429 PolarHBondContact OD1-NZ 2.84Å; D132-Y442 PolarHBondContact OD2-OH 2.86Å
133	M	93.1	Very high	91.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-72.2	-41.1	179.8	-74.7	-174.5	-70	0	0	112.5	G129 L130 D131 V135 L136 L137 L422 M445 L449 I517	G129-M133 WeakPolarHBondContact O-CE 3.41Å; G129-M133 VanDerWaalsContact O-CG 3.31Å; G129-M133 WeakPolarHBondContact O-CG 3.42Å; G129-M133 PolarHBondContact O-N 3.24Å; L130-M133 PolarHBondContact O-N 3.16Å; L130-M133 VanDerWaalsContact O-N 3.11Å; D131-M133 VanDerWaalsContact C-N 3.31Å; D131-M133 PolarHBondContact O-N 3.17Å; M133-V135 VanDerWaalsContact C-N 3.34Å; M133-V135 PolarHBondContact O-N 2.86Å; M133-L136 PolarHBondContact O-N 3.12Å; M133-L137 VanDerWaalsContact O-CB 3.28Å; M133-L137 WeakPolarHBondContact O-CB 3.32Å; M133-L137 PolarHBondContact O-N 3.44Å; M133-L422 HydrophobicContact CB-CD2 4.19Å; M133-L422 HydrophobicContact CG-CD2 4.21Å; M133-L422 HydrophobicContact SD-CB 4.5Å; M133-M445 HydrophobicContact CE-CE 3.6Å; M133-L449 HydrophobicContact SD-CD1 3.64Å; M133-L449 HydrophobicContact SD-CD2 4.32Å; M133-I517 HydrophobicContact CE-CD1 3.24Å
134	L	93.4	Very high	91	Very high	46 Å²	46	57.9 Å²	57.9	24%	0.241	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-39.8	179.3	-69.3	176.4	0	0	0	111.7	L130 D131 R138 A510	L130-L134 HydrophobicContact CD1-CD1 3.94Å; L130-L134 HydrophobicContact CD1-CD2 4.42Å; L130-L134 HydrophobicContact CD1-CG 3.95Å; L130-L134 HydrophobicContact CG-CD1 4.09Å; L130-L134 HydrophobicContact CG-CG 4.46Å; L130-L134 WeakPolarHBondContact O-CG 3.29Å; L130-L134 PolarHBondContact O-N 3.42Å; D131-L134 PolarHBondContact O-N 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.49Å; L134-R138 PolarHBondContact O-N 3.18Å; L134-R138 VanDerWaalsContact O-N 3.1Å; L134-A510 HydrophobicContact CD2-CB 4.13Å
135	V	93.5	Very high	90.5	Very high	71 Å²	71	55.7 Å²	55.7	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-48.2	174.4	174.7	0	0	0	0	110.6	D131 M133 L137 R138 E139	D131-V135 WeakPolarHBondContact O-CG2 3.42Å; D131-V135 PolarHBondContact O-N 3.07Å; D131-V135 VanDerWaalsContact O-N 3.11Å; M133-V135 VanDerWaalsContact C-N 3.34Å; M133-V135 PolarHBondContact O-N 2.86Å; V135-L137 VanDerWaalsContact C-N 3.34Å; V135-L137 PolarHBondContact O-N 3.17Å; V135-R138 PolarHBondContact O-N 3.26Å; V135-E139 HydrophobicContact CG1-CG 4.31Å; V135-E139 WeakPolarHBondContact O-CB 3.33Å; V135-E139 WeakPolarHBondContact O-CG 3.18Å; V135-E139 PolarHBondContact O-N 3.35Å
136	L	89.7	Confident	90.1	Very high	11 Å²	11	59.1 Å²	59.1	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-42.2	178.3	-74.3	169.1	0	0	0	112.6	D132 M133 R138 K140 L141 L422 E425 K429	D132-L136 WeakPolarHBondContact O-CB 3.33Å; D132-L136 WeakPolarHBondContact O-CD1 3.3Å; D132-L136 WeakPolarHBondContact O-CG 3.49Å; D132-L136 PolarHBondContact O-N 3.03Å; M133-L136 PolarHBondContact O-N 3.12Å; L136-R138 VanDerWaalsContact C-N 3.33Å; L136-R138 PolarHBondContact O-N 2.96Å; L136-K140 HydrophobicContact CD2-CD 4.08Å; L136-K140 PolarHBondContact O-N 3.39Å; L136-L141 PolarHBondContact O-N 3.24Å; L136-L422 HydrophobicContact CB-CD2 4.17Å; L136-E425 HydrophobicContact CD1-CB 3.79Å; L136-E425 HydrophobicContact CD1-CG 4.39Å; L136-K429 HydrophobicContact CD1-CD 4.45Å
137	L	90.1	Very high	89.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-43.8	177.7	-170.1	67.3	0	0	0	111	M133 V135 L141 S142 V412 I418 F506 K509 A510 L513	M133-L137 VanDerWaalsContact O-CB 3.28Å; M133-L137 WeakPolarHBondContact O-CB 3.32Å; M133-L137 PolarHBondContact O-N 3.44Å; V135-L137 VanDerWaalsContact C-N 3.34Å; V135-L137 PolarHBondContact O-N 3.17Å; L137-L141 CarbonylContact O-C 3.49Å; L137-S142 WeakPolarHBondContact O-CB 2.85Å; L137-S142 PolarHBondContact O-OG 2.95Å; L137-V412 HydrophobicContact CD1-CG1 3.95Å; L137-I418 HydrophobicContact CD1-CD1 3.42Å; L137-I418 VanDerWaalsContact CD1-CD1 3.42Å; L137-I418 HydrophobicContact CD1-CG1 3.46Å; L137-I418 VanDerWaalsContact CD1-CG1 3.46Å; L137-F506 HydrophobicContact CB-CE2 4.09Å; L137-F506 HydrophobicContact CD2-CD2 3.97Å; L137-F506 HydrophobicContact CD2-CE2 3.7Å; L137-F506 HydrophobicContact CD2-CZ 4.44Å; L137-F506 HydrophobicContact CG-CD2 3.78Å; L137-F506 HydrophobicContact CG-CE2 3.53Å; L137-K509 HydrophobicContact CD2-CB 4.36Å; L137-A510 HydrophobicContact CD2-CB 3.94Å; L137-L513 HydrophobicContact CD2-CD1 4.43Å
138	R	88.5	Confident	88.5	Confident	161 Å²	161	58 Å²	58	61%	0.608	30%	0.302	S	S	*	.	H	α-helix	trans	-75	-39.8	-177.7	-169.1	177.5	-175.5	-179.4	2	112.9	L134 V135 L136 S142 R410 F506	L134-R138 WeakPolarHBondContact O-CB 3.49Å; L134-R138 PolarHBondContact O-N 3.18Å; L134-R138 VanDerWaalsContact O-N 3.1Å; V135-R138 PolarHBondContact O-N 3.26Å; L136-R138 VanDerWaalsContact C-N 3.33Å; L136-R138 PolarHBondContact O-N 2.96Å; R138-S142 PolarHBondContact O-OG 2.86Å; R138-R410 VanDerWaalsContact CG-NH1 3.3Å; R138-R410 PolarHBondContact O-NH1 3.38Å; R138-F506 HydrophobicContact CB-CE2 4.1Å; R138-F506 HydrophobicContact CB-CZ 4.06Å; R138-F506 HydrophobicContact CG-CZ 4.29Å
139	E	87	Confident	88.1	Confident	147 Å²	147	55.5 Å²	55.5	69%	0.687	29%	0.294	S	S	*	.	H	α-helix	trans	-89.4	-37.6	-171.2	-68.1	-177.9	173	0	0	113.7	V135	V135-E139 HydrophobicContact CG1-CG 4.31Å; V135-E139 WeakPolarHBondContact O-CB 3.33Å; V135-E139 WeakPolarHBondContact O-CG 3.18Å; V135-E139 PolarHBondContact O-N 3.35Å
140	K	85.6	Confident	87.7	Confident	132 Å²	132	59.5 Å²	59.5	57%	0.574	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-36.2	-169.1	-64.3	-172.9	-178	-179.6	0	114.3	L136	L136-K140 HydrophobicContact CD2-CD 4.08Å; L136-K140 PolarHBondContact O-N 3.39Å
141	L	85	Confident	87.3	Confident	13 Å²	13	68.5 Å²	68.5	7%	0.068	35%	0.346	C	S	.	.	S	Bend	trans	-107.7	26.9	-166.1	-55	170.2	0	0	0	113.2	L136 L137 V412 I418 A421 L422 W483	L136-L141 PolarHBondContact O-N 3.24Å; L137-L141 CarbonylContact O-C 3.49Å; L141-V412 WeakPolarHBondContact O-CG1 3.35Å; L141-I418 HydrophobicContact CB-CD1 3.43Å; L141-I418 VanDerWaalsContact CB-CD1 3.43Å; L141-I418 HydrophobicContact CD1-CD1 3.73Å; L141-I418 HydrophobicContact CG-CD1 4.13Å; L141-A421 HydrophobicContact CD1-CB 4.18Å; L141-A421 HydrophobicContact CD2-CB 4.18Å; L141-L422 HydrophobicContact CD1-CD2 3.71Å; L141-L422 HydrophobicContact CD1-CG 4.13Å; L141-W483 HydrophobicContact CB-CE3 4.12Å; L141-W483 HydrophobicContact CB-CZ3 4.02Å; L141-W483 HydrophobicContact CD2-CB 4.01Å; L141-W483 HydrophobicContact CD2-CD2 3.88Å; L141-W483 HydrophobicContact CD2-CE3 3.66Å; L141-W483 HydrophobicContact CD2-CG 4.04Å; L141-W483 HydrophobicContact CD2-CZ3 4.35Å; L141-W483 VanDerWaalsContact O-CZ3 3.26Å; L141-W483 WeakPolarHBondContact O-CZ3 3.39Å
142	S	86.5	Confident	86.8	Confident	23 Å²	23	67.3 Å²	67.3	16%	0.161	34%	0.337	C	S	.	.			trans	-129	147.7	176.9	63.7	0	0	0	0	112.3	L137 R138 L411	L137-S142 WeakPolarHBondContact O-CB 2.85Å; L137-S142 PolarHBondContact O-OG 2.95Å; R138-S142 PolarHBondContact O-OG 2.86Å; S142-L411 CarbonylContact C-O 3.47Å; S142-L411 WeakPolarHBondContact CA-O 3.41Å
143	V	87.8	Confident	86.4	Confident	52 Å²	52	65.2 Å²	65.2	32%	0.315	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131	177.6	-176.5	0	0	0	0	108.3	R410 L411 W483 W503	V143-R410 WeakPolarHBondContact O-CA 3.32Å; V143-L411 PolarHBondContact N-O 3.18Å; V143-L411 PolarHBondContact O-N 3.13Å; V143-W483 HydrophobicContact CG2-CH2 4.08Å; V143-W483 HydrophobicContact CG2-CZ2 4.46Å; V143-W503 HydrophobicContact CB-CZ3 4.41Å; V143-W503 HydrophobicContact CG2-CH2 4.07Å; V143-W503 HydrophobicContact CG2-CZ3 3.93Å
144	P	88.8	Confident	86.1	Confident	110 Å²	110	69.5 Å²	69.5	71%	0.714	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.4	174.6	28.9	-34.2	0	0	0	110.9	Q409	P144-Q409 WeakPolarHBondContact CA-O 3.12Å
145	C	83.5	Confident	85.7	Confident	8 Å²	8	71.6 Å²	71.6	5%	0.054	35%	0.349	C	S	.	.			trans	-127.4	141.5	180	177.7	0	0	0	0	110.4	A147 Q409 L411	C145-A147 PolarHBondContact O-N 3.46Å; C145-Q409 PolarHBondContact N-O 3.29Å; C145-Q409 VanDerWaalsContact O-CB 3.27Å; C145-Q409 WeakPolarHBondContact O-CB 3.3Å; C145-L411 HydrophobicContact CB-CD1 3.69Å; C145-L411 HydrophobicContact CB-CD2 4.44Å; C145-L411 HydrophobicContact CB-CG 3.71Å
146	D	83	Confident	85.3	Confident	80 Å²	80	68.3 Å²	68.3	43%	0.428	33%	0.329	S	S	.	.			trans	-88	109.7	173.4	-174.4	6.6	0	0	0	110.6	S148 N149 E152	D146-S148 PolarHBondContact O-N 2.76Å; D146-S148 WeakPolarHBondContact OD1-CB 3.48Å; D146-S148 PolarHBondContact OD1-N 3.24Å; D146-N149 HydrophobicContact CB-CB 4.4Å; D146-N149 PolarHBondContact O-N 3.01Å; D146-E152 PolarHBondContact N-OE2 3.22Å
147	A	77	Confident	85.2	Confident	6 Å²	6	67.9 Å²	67.9	5%	0.05	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.6	178.7	0	0	0	0	0	113.5	C145 N149 M406 Q409	C145-A147 PolarHBondContact O-N 3.46Å; A147-N149 VanDerWaalsContact C-N 3.34Å; A147-M406 HydrophobicContact CB-CG 4.44Å; A147-Q409 HydrophobicContact CB-CG 3.96Å
148	S	79.7	Confident	85	Confident	92 Å²	92	71.7 Å²	71.7	64%	0.643	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-19.5	176.5	-68.1	0	0	0	0	112.7	D146 E150	D146-S148 PolarHBondContact O-N 2.76Å; D146-S148 WeakPolarHBondContact OD1-CB 3.48Å; D146-S148 PolarHBondContact OD1-N 3.24Å; S148-E150 PolarHBondContact O-N 3.12Å
149	N	83.5	Confident	84.7	Confident	57 Å²	57	65.2 Å²	65.2	31%	0.305	32%	0.324	S	S	.	.			trans	-86.3	101	-179.9	-171	-2.3	0	0	0	111.1	D146 A147 R151 E152 V153	D146-N149 HydrophobicContact CB-CB 4.4Å; D146-N149 PolarHBondContact O-N 3.01Å; A147-N149 VanDerWaalsContact C-N 3.34Å; N149-R151 PolarHBondContact O-N 2.75Å; N149-R151 VanDerWaalsContact O-N 3.09Å; N149-R151 PolarHBondContact OD1-N 2.88Å; N149-E152 HydrophobicContact CB-CB 4.29Å; N149-E152 HydrophobicContact CB-CG 4.34Å; N149-E152 PolarHBondContact ND2-OE1 3.32Å; N149-E152 PolarHBondContact O-N 3.15Å; N149-V153 PolarHBondContact O-N 3.07Å
150	E	83.9	Confident	84.5	Confident	84 Å²	84	58.6 Å²	58.6	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-52.2	-35.2	178.2	-178.9	-178.6	157.5	0	0	112.8	S148 R154 Y178	S148-E150 PolarHBondContact O-N 3.12Å; E150-R154 WeakPolarHBondContact O-CB 3.36Å; E150-R154 PolarHBondContact O-N 3.11Å; E150-Y178 HydrophobicContact CB-CD1 4.45Å; E150-Y178 HydrophobicContact CB-CE1 3.76Å; E150-Y178 HydrophobicContact CG-CD1 3.77Å; E150-Y178 HydrophobicContact CG-CE1 3.54Å; E150-Y178 HydrophobicContact CG-CG 4.39Å
151	R	86	Confident	84.4	Confident	200 Å²	200	52.4 Å²	52.4	76%	0.755	27%	0.267	S	S	*	.	H	α-helix	trans	-67.4	-38.4	-178.9	-65.6	-177.3	179.7	177.9	0.6	112.2	N149 K155	N149-R151 PolarHBondContact O-N 2.75Å; N149-R151 VanDerWaalsContact O-N 3.09Å; N149-R151 PolarHBondContact OD1-N 2.88Å; R151-K155 WeakPolarHBondContact O-CG 3.5Å; R151-K155 PolarHBondContact O-N 3.39Å
152	E	83.9	Confident	84	Confident	74 Å²	74	52.6 Å²	52.6	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-70.1	-47.1	177.3	-76.5	174.8	-150.2	0	0	110.6	D146 N149 R154 K155 I156	D146-E152 PolarHBondContact N-OE2 3.22Å; N149-E152 HydrophobicContact CB-CB 4.29Å; N149-E152 HydrophobicContact CB-CG 4.34Å; N149-E152 PolarHBondContact ND2-OE1 3.32Å; N149-E152 PolarHBondContact O-N 3.15Å; E152-R154 VanDerWaalsContact C-N 3.29Å; E152-R154 PolarHBondContact O-N 2.72Å; E152-K155 WeakPolarHBondContact O-CB 3.5Å; E152-K155 PolarHBondContact O-N 3.4Å; E152-K155 VanDerWaalsContact O-N 3.13Å; E152-I156 WeakPolarHBondContact O-CD1 3.25Å; E152-I156 WeakPolarHBondContact O-CG1 3.48Å; E152-I156 PolarHBondContact O-N 2.91Å
153	V	85.7	Confident	83.6	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-43.3	176.6	-177.7	0	0	0	0	111	N149 K155 I156 V157 Y178 V402 V405	N149-V153 PolarHBondContact O-N 3.07Å; V153-K155 VanDerWaalsContact C-N 3.34Å; V153-K155 PolarHBondContact O-N 3.39Å; V153-I156 PolarHBondContact O-N 3.37Å; V153-V157 HydrophobicContact CG1-CG2 4.27Å; V153-V157 WeakPolarHBondContact O-CG2 3.26Å; V153-V157 PolarHBondContact O-N 3.3Å; V153-Y178 HydrophobicContact CB-CD2 4.13Å; V153-Y178 HydrophobicContact CB-CE2 4.17Å; V153-Y178 HydrophobicContact CG1-CD2 3.75Å; V153-Y178 HydrophobicContact CG1-CE2 4.18Å; V153-Y178 HydrophobicContact CG2-CE2 4.24Å; V153-V402 HydrophobicContact CG1-CG1 4.08Å; V153-V402 HydrophobicContact CG1-CG2 4.01Å; V153-V405 HydrophobicContact CG2-CG1 4.36Å
154	R	86.3	Confident	83.1	Confident	91 Å²	91	52.1 Å²	52.1	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-41.8	177.1	-179.2	172.1	176.4	166.1	-5.6	112.7	E150 E152 I156 V157 Q158 D171 C174	E150-R154 WeakPolarHBondContact O-CB 3.36Å; E150-R154 PolarHBondContact O-N 3.11Å; E152-R154 VanDerWaalsContact C-N 3.29Å; E152-R154 PolarHBondContact O-N 2.72Å; R154-I156 VanDerWaalsContact C-N 3.32Å; R154-I156 PolarHBondContact O-N 3.46Å; R154-V157 PolarHBondContact O-N 3.44Å; R154-Q158 VanDerWaalsContact O-CB 3.26Å; R154-Q158 WeakPolarHBondContact O-CB 3.17Å; R154-Q158 PolarHBondContact O-N 3.07Å; R154-D171 IonicContact CZ-OD1 3.01Å; R154-D171 IonicContact NE-OD1 2.75Å; R154-D171 IonicContact NH2-OD1 3.56Å; R154-D171 PolarHBondContact NH2-OD1 3.19Å; R154-D171 IonicContact NH2-OD2 2.9Å; R154-C174 HydrophobicContact CG-CB 4.03Å
155	K	84.9	Confident	82.5	Confident	91 Å²	91	50.8 Å²	50.8	40%	0.396	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-41.7	176.7	-72.2	179	177.7	-158.5	0	111.8	R151 E152 V153 Q158 S159 D501	R151-K155 WeakPolarHBondContact O-CG 3.5Å; R151-K155 PolarHBondContact O-N 3.39Å; E152-K155 WeakPolarHBondContact O-CB 3.5Å; E152-K155 PolarHBondContact O-N 3.4Å; E152-K155 VanDerWaalsContact O-N 3.13Å; V153-K155 VanDerWaalsContact C-N 3.34Å; V153-K155 PolarHBondContact O-N 3.39Å; K155-Q158 PolarHBondContact O-N 3.35Å; K155-S159 PolarHBondContact O-N 2.71Å; K155-D501 IonicContact NZ-OD1 2.74Å; K155-D501 IonicContact NZ-OD2 3.83Å; K155-D501 PolarHBondContact NZ-OD2 3.36Å
156	I	85.6	Confident	82.2	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-68.5	-40.9	179.3	-58.1	151.3	0	0	0	111.2	E152 V153 R154 Q158 S159 C160 V401 V405 L411 W503 P505	E152-I156 WeakPolarHBondContact O-CD1 3.25Å; E152-I156 WeakPolarHBondContact O-CG1 3.48Å; E152-I156 PolarHBondContact O-N 2.91Å; V153-I156 PolarHBondContact O-N 3.37Å; R154-I156 VanDerWaalsContact C-N 3.32Å; R154-I156 PolarHBondContact O-N 3.46Å; I156-Q158 VanDerWaalsContact C-N 3.29Å; I156-Q158 PolarHBondContact O-N 3.04Å; I156-S159 PolarHBondContact O-N 3.26Å; I156-S159 PolarHBondContact O-OG 2.9Å; I156-C160 PolarHBondContact O-N 3.42Å; I156-V401 HydrophobicContact CG2-CG1 4.02Å; I156-V405 HydrophobicContact CD1-CG1 4.14Å; I156-V405 HydrophobicContact CD1-CG2 4.16Å; I156-V405 HydrophobicContact CG2-CG2 4.02Å; I156-L411 HydrophobicContact CD1-CD1 3.64Å; I156-L411 HydrophobicContact CD1-CD2 3.52Å; I156-L411 HydrophobicContact CD1-CG 4.15Å; I156-L411 HydrophobicContact CG1-CD1 3.88Å; I156-L411 HydrophobicContact CG1-CD2 3.85Å; I156-L411 HydrophobicContact CG2-CD2 4.2Å; I156-W503 HydrophobicContact CG1-CB 4.37Å; I156-P505 HydrophobicContact CG2-CG 4.21Å
157	V	86.5	Confident	82	Confident	1 Å²	1	51 Å²	51	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-37.1	176.7	-177.6	0	0	0	0	110.2	V153 R154 S159 C160 V161 C174 A398 V401 V402	V153-V157 HydrophobicContact CG1-CG2 4.27Å; V153-V157 WeakPolarHBondContact O-CG2 3.26Å; V153-V157 PolarHBondContact O-N 3.3Å; R154-V157 PolarHBondContact O-N 3.44Å; V157-S159 PolarHBondContact O-N 2.94Å; V157-C160 PolarHBondContact O-N 2.97Å; V157-V161 HydrophobicContact CG1-CG2 3.88Å; V157-V161 WeakPolarHBondContact O-CB 3.36Å; V157-V161 VanDerWaalsContact O-CG2 3.26Å; V157-V161 WeakPolarHBondContact O-CG2 3.14Å; V157-V161 PolarHBondContact O-N 3.48Å; V157-C174 HydrophobicContact CB-CB 4.36Å; V157-C174 HydrophobicContact CG1-CB 4.19Å; V157-C174 VanDerWaalsContact CG1-SG 3.53Å; V157-A398 HydrophobicContact CG1-CB 3.74Å; V157-V401 HydrophobicContact CG2-CG1 4.39Å; V157-V402 HydrophobicContact CG2-CG2 3.27Å
158	Q	86.1	Confident	82.1	Confident	81 Å²	81	58.3 Å²	58.3	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-37.5	178.1	-170.3	171.7	21.2	0	0	112.4	R154 K155 I156 G162	R154-Q158 VanDerWaalsContact O-CB 3.26Å; R154-Q158 WeakPolarHBondContact O-CB 3.17Å; R154-Q158 PolarHBondContact O-N 3.07Å; K155-Q158 PolarHBondContact O-N 3.35Å; I156-Q158 VanDerWaalsContact C-N 3.29Å; I156-Q158 PolarHBondContact O-N 3.04Å; Q158-G162 PolarHBondContact O-N 3.29Å
159	S	83.5	Confident	82.3	Confident	25 Å²	25	57.1 Å²	57.1	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-43.4	174.8	54.6	0	0	0	0	112	K155 I156 V157 W503	K155-S159 PolarHBondContact O-N 2.71Å; I156-S159 PolarHBondContact O-N 3.26Å; I156-S159 PolarHBondContact O-OG 2.9Å; V157-S159 PolarHBondContact O-N 2.94Å; S159-W503 PolarHBondContact OG-O 3.38Å
160	C	81.3	Confident	82.2	Confident	7 Å²	7	54.9 Å²	54.9	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-47.4	177.4	-68.9	0	0	0	0	112.3	I156 V157 G162 T163 V401	I156-C160 PolarHBondContact O-N 3.42Å; V157-C160 PolarHBondContact O-N 2.97Å; C160-G162 VanDerWaalsContact C-N 3.3Å; C160-G162 PolarHBondContact O-N 2.79Å; C160-T163 PolarHBondContact O-OG1 2.63Å; C160-V401 HydrophobicContact CB-CG2 4.06Å
161	V	83.1	Confident	82.3	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-26.7	-178.3	175.7	0	0	0	0	112.1	V157 T163 K164 I166 A398	V157-V161 HydrophobicContact CG1-CG2 3.88Å; V157-V161 WeakPolarHBondContact O-CB 3.36Å; V157-V161 VanDerWaalsContact O-CG2 3.26Å; V157-V161 WeakPolarHBondContact O-CG2 3.14Å; V157-V161 PolarHBondContact O-N 3.48Å; V161-T163 PolarHBondContact O-N 3.35Å; V161-K164 PolarHBondContact O-N 3.06Å; V161-I166 HydrophobicContact CG1-CB 3.87Å; V161-I166 HydrophobicContact CG1-CG2 3.59Å; V161-A398 HydrophobicContact CG2-CB 3.78Å
162	G	77.7	Confident	82.3	Confident	17 Å²	17	47.1 Å²	47.1	18%	0.175	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.3	-179.9	0	0	0	0	0	114.3	Q158 C160	Q158-G162 PolarHBondContact O-N 3.29Å; C160-G162 VanDerWaalsContact C-N 3.3Å; C160-G162 PolarHBondContact O-N 2.79Å
163	T	77.4	Confident	82.4	Confident	43 Å²	43	44 Å²	44	26%	0.264	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.8	176.3	64.9	0	0	0	0	115.1	P43 N61 C160 V161	P43-T163 HydrophobicContact CB-CG2 4.19Å; N61-T163 PolarHBondContact ND2-O 3.14Å; C160-T163 PolarHBondContact O-OG1 2.63Å; V161-T163 PolarHBondContact O-N 3.35Å
164	K	78.8	Confident	82.5	Confident	23 Å²	23	44 Å²	44	10%	0.1	22%	0.22	C	C	.	.	S	Bend	trans	-120.5	167.8	-168.1	-56.9	179.1	-176.3	-176.2	0	111.8	V161 I166 N167 N394 D397	V161-K164 PolarHBondContact O-N 3.06Å; K164-I166 PolarHBondContact O-N 3.3Å; K164-I166 VanDerWaalsContact O-N 3.1Å; K164-N167 WeakPolarHBondContact O-CB 3.44Å; K164-N167 PolarHBondContact O-N 3.37Å; K164-N394 HydrophobicContact CB-CB 4.39Å; K164-N394 HydrophobicContact CD-CB 4.11Å; K164-N394 VanDerWaalsContact CD-OD1 3.28Å; K164-N394 WeakPolarHBondContact CD-OD1 3.4Å; K164-D397 IonicContact NZ-OD2 3.65Å; K164-D397 PolarHBondContact NZ-OD2 2.91Å
165	L	74.5	Confident	82.6	Confident	81 Å²	81	45 Å²	45	42%	0.424	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-56.5	-29.1	-179	-172.4	69	0	0	0	112.8	N167 E390	L165-N167 PolarHBondContact O-N 2.91Å; L165-N167 VanDerWaalsContact O-N 3.09Å; L165-E390 HydrophobicContact CB-CG 4.34Å; L165-E390 HydrophobicContact CD2-CG 4.04Å
166	I	78	Confident	82.9	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.8	-7.5	177.9	-66.8	-170.7	0	0	0	113.1	V161 K164 Q168 W169 S170 A173 V391 N394	V161-I166 HydrophobicContact CG1-CB 3.87Å; V161-I166 HydrophobicContact CG1-CG2 3.59Å; K164-I166 PolarHBondContact O-N 3.3Å; K164-I166 VanDerWaalsContact O-N 3.1Å; I166-Q168 PolarHBondContact O-N 3.37Å; I166-W169 CarbonylContact O-C 3.49Å; I166-W169 VanDerWaalsContact O-C 3.25Å; I166-W169 WeakPolarHBondContact O-CA 3.43Å; I166-W169 PolarHBondContact O-N 3.23Å; I166-S170 PolarHBondContact O-N 3.2Å; I166-A173 HydrophobicContact CD1-CB 4.44Å; I166-A173 HydrophobicContact CG2-CB 3.42Å; I166-A173 VanDerWaalsContact CG2-CB 3.42Å; I166-V391 HydrophobicContact CD1-CB 4.25Å; I166-V391 HydrophobicContact CD1-CG1 3.92Å; I166-V391 HydrophobicContact CD1-CG2 4.4Å; I166-V391 WeakPolarHBondContact CD1-O 3.45Å; I166-V391 HydrophobicContact CG1-CG2 4.19Å; I166-N394 HydrophobicContact CB-CB 4.45Å; I166-N394 HydrophobicContact CD1-CB 3.3Å; I166-N394 HydrophobicContact CG1-CB 3.72Å
167	N	78.2	Confident	83.1	Confident	88 Å²	88	41 Å²	41	47%	0.471	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-47.9	-36.2	-176.1	-167.8	18.4	0	0	0	114.1	K164 L165 W169 S170	K164-N167 WeakPolarHBondContact O-CB 3.44Å; K164-N167 PolarHBondContact O-N 3.37Å; L165-N167 PolarHBondContact O-N 2.91Å; L165-N167 VanDerWaalsContact O-N 3.09Å; N167-W169 VanDerWaalsContact C-N 3.31Å; N167-W169 PolarHBondContact O-N 3Å; N167-S170 WeakPolarHBondContact O-CB 3.46Å; N167-S170 PolarHBondContact O-N 3.03Å; N167-S170 PolarHBondContact O-OG 3.43Å
168	Q	80	Confident	83.3	Confident	160 Å²	160	41.7 Å²	41.7	75%	0.748	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-62.1	-32.2	175	-64.2	-176.9	-1.2	0	0	114.4	I166	I166-Q168 PolarHBondContact O-N 3.37Å
169	W	83	Confident	83.4	Confident	68 Å²	68	40.3 Å²	40.3	26%	0.258	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-115.1	26.9	177.9	-54.3	-74.8	0	0	0	111.9	I166 N167 D171 L172 A173 V213	I166-W169 CarbonylContact O-C 3.49Å; I166-W169 VanDerWaalsContact O-C 3.25Å; I166-W169 WeakPolarHBondContact O-CA 3.43Å; I166-W169 PolarHBondContact O-N 3.23Å; N167-W169 VanDerWaalsContact C-N 3.31Å; N167-W169 PolarHBondContact O-N 3Å; W169-D171 VanDerWaalsContact C-N 3.25Å; W169-D171 PolarHBondContact O-N 3.14Å; W169-L172 PolarHBondContact O-N 3.2Å; W169-L172 VanDerWaalsContact O-N 3.11Å; W169-A173 PolarHBondContact O-N 3.01Å; W169-V213 HydrophobicContact CB-CG1 4.45Å; W169-V213 HydrophobicContact CD2-CB 4.11Å; W169-V213 HydrophobicContact CD2-CG1 4.02Å; W169-V213 HydrophobicContact CE3-CG1 4.29Å; W169-V213 HydrophobicContact CG-CB 4.39Å; W169-V213 HydrophobicContact CG-CG1 4.09Å; W169-V213 HydrophobicContact CH2-CG2 4.44Å; W169-V213 HydrophobicContact CZ2-CB 4.47Å; W169-V213 HydrophobicContact CZ2-CG2 4.37Å
170	S	81.8	Confident	83.8	Confident	10 Å²	10	39.1 Å²	39.1	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-54.9	-42.6	-176.3	49.2	0	0	0	0	111.8	I166 N167 L172 A173 C174	I166-S170 PolarHBondContact O-N 3.2Å; N167-S170 WeakPolarHBondContact O-CB 3.46Å; N167-S170 PolarHBondContact O-N 3.03Å; N167-S170 PolarHBondContact O-OG 3.43Å; S170-L172 PolarHBondContact O-N 3.09Å; S170-A173 PolarHBondContact O-N 3.26Å; S170-C174 WeakPolarHBondContact O-CB 3.4Å; S170-C174 PolarHBondContact O-N 2.88Å; S170-C174 PolarHBondContact O-SG 2.83Å
171	D	85.7	Confident	84.2	Confident	80 Å²	80	38.8 Å²	38.8	43%	0.428	20%	0.197	S	C	.	.	H	α-helix	trans	-58.8	-43.8	177.8	-76.9	-30.9	0	0	0	113.4	R154 W169 K175	R154-D171 IonicContact CZ-OD1 3.01Å; R154-D171 IonicContact NE-OD1 2.75Å; R154-D171 IonicContact NH2-OD1 3.56Å; R154-D171 PolarHBondContact NH2-OD1 3.19Å; R154-D171 IonicContact NH2-OD2 2.9Å; W169-D171 VanDerWaalsContact C-N 3.25Å; W169-D171 PolarHBondContact O-N 3.14Å; D171-K175 PolarHBondContact O-N 2.84Å; D171-K175 VanDerWaalsContact O-N 3.15Å
172	L	86.3	Confident	84.4	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-46	177.8	177.6	63.4	0	0	0	110.8	W169 S170 C174 K175 I176 V213 E214	W169-L172 PolarHBondContact O-N 3.2Å; W169-L172 VanDerWaalsContact O-N 3.11Å; S170-L172 PolarHBondContact O-N 3.09Å; L172-C174 VanDerWaalsContact C-N 3.31Å; L172-C174 PolarHBondContact O-N 3.42Å; L172-K175 PolarHBondContact O-N 3.5Å; L172-I176 HydrophobicContact CD1-CD1 3.85Å; L172-I176 HydrophobicContact CD1-CG1 4.03Å; L172-I176 HydrophobicContact CD2-CD1 4.27Å; L172-I176 HydrophobicContact CG-CD1 3.71Å; L172-I176 HydrophobicContact CG-CG1 4.26Å; L172-I176 WeakPolarHBondContact O-CB 3.5Å; L172-I176 VanDerWaalsContact O-CG1 3.29Å; L172-I176 WeakPolarHBondContact O-CG1 3.2Å; L172-I176 PolarHBondContact O-N 3.21Å; L172-V213 VanDerWaalsContact CD2-O 3.3Å; L172-V213 WeakPolarHBondContact CD2-O 3.46Å; L172-E214 VanDerWaalsContact CD2-CA 3.49Å
173	A	85.9	Confident	84.9	Confident	8 Å²	8	45.6 Å²	45.6	7%	0.066	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-39.2	179.6	0	0	0	0	0	112	I166 W169 S170 I176 A177 L395	I166-A173 HydrophobicContact CD1-CB 4.44Å; I166-A173 HydrophobicContact CG2-CB 3.42Å; I166-A173 VanDerWaalsContact CG2-CB 3.42Å; W169-A173 PolarHBondContact O-N 3.01Å; S170-A173 PolarHBondContact O-N 3.26Å; A173-I176 PolarHBondContact O-N 3.1Å; A173-A177 VanDerWaalsContact O-CB 3.23Å; A173-A177 WeakPolarHBondContact O-CB 3.49Å; A173-A177 PolarHBondContact O-N 3.48Å; A173-L395 HydrophobicContact CB-CD1 4.41Å
174	C	87.1	Confident	85.4	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-45.2	174.8	-67.9	0	0	0	0	111.4	R154 V157 S170 L172 A177 Y178	R154-C174 HydrophobicContact CG-CB 4.03Å; V157-C174 HydrophobicContact CB-CB 4.36Å; V157-C174 HydrophobicContact CG1-CB 4.19Å; V157-C174 VanDerWaalsContact CG1-SG 3.53Å; S170-C174 WeakPolarHBondContact O-CB 3.4Å; S170-C174 PolarHBondContact O-N 2.88Å; S170-C174 PolarHBondContact O-SG 2.83Å; L172-C174 VanDerWaalsContact C-N 3.31Å; L172-C174 PolarHBondContact O-N 3.42Å; C174-A177 PolarHBondContact O-N 3.03Å; C174-Y178 WeakPolarHBondContact O-CB 3.4Å; C174-Y178 PolarHBondContact O-N 3.33Å
175	K	89.6	Confident	85.7	Confident	112 Å²	112	44.1 Å²	44.1	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-49.8	177.7	-174.9	-179.8	179	-175.3	0	111.4	D171 L172 A177 Y178 D179	D171-K175 PolarHBondContact O-N 2.84Å; D171-K175 VanDerWaalsContact O-N 3.15Å; L172-K175 PolarHBondContact O-N 3.5Å; K175-A177 VanDerWaalsContact C-N 3.34Å; K175-A177 PolarHBondContact O-N 3.02Å; K175-Y178 PolarHBondContact O-N 2.9Å; K175-D179 WeakPolarHBondContact O-CB 3.19Å; K175-D179 VanDerWaalsContact O-CG 3.28Å; K175-D179 PolarHBondContact O-N 3.47Å
176	I	90.4	Very high	86.1	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-46.5	178.3	-69.9	176.4	0	0	0	110.7	L172 A173 A180 V218 I378 L395	L172-I176 HydrophobicContact CD1-CD1 3.85Å; L172-I176 HydrophobicContact CD1-CG1 4.03Å; L172-I176 HydrophobicContact CD2-CD1 4.27Å; L172-I176 HydrophobicContact CG-CD1 3.71Å; L172-I176 HydrophobicContact CG-CG1 4.26Å; L172-I176 WeakPolarHBondContact O-CB 3.5Å; L172-I176 VanDerWaalsContact O-CG1 3.29Å; L172-I176 WeakPolarHBondContact O-CG1 3.2Å; L172-I176 PolarHBondContact O-N 3.21Å; A173-I176 PolarHBondContact O-N 3.1Å; I176-A180 WeakPolarHBondContact O-CB 3.49Å; I176-A180 PolarHBondContact O-N 3.05Å; I176-V218 HydrophobicContact CB-CG2 3.91Å; I176-V218 HydrophobicContact CG1-CG2 4.1Å; I176-V218 HydrophobicContact CG2-CG2 3.53Å; I176-V218 WeakPolarHBondContact O-CG2 3.42Å; I176-I378 HydrophobicContact CG2-CD1 4.24Å; I176-I378 HydrophobicContact CG2-CG1 4.45Å; I176-I378 HydrophobicContact CG2-CG2 3.54Å; I176-L395 HydrophobicContact CB-CD1 4.25Å; I176-L395 HydrophobicContact CG2-CD1 3.81Å; I176-L395 HydrophobicContact CG2-CD2 3.78Å; I176-L395 HydrophobicContact CG2-CG 4.43Å
177	A	90	Very high	86.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-44.8	-179.6	0	0	0	0	0	111.9	A173 C174 K175 V181 L395 A398 M399 V402	A173-A177 VanDerWaalsContact O-CB 3.23Å; A173-A177 WeakPolarHBondContact O-CB 3.49Å; A173-A177 PolarHBondContact O-N 3.48Å; C174-A177 PolarHBondContact O-N 3.03Å; K175-A177 VanDerWaalsContact C-N 3.34Å; K175-A177 PolarHBondContact O-N 3.02Å; A177-V181 WeakPolarHBondContact O-CB 3.46Å; A177-V181 VanDerWaalsContact O-CG2 3.28Å; A177-V181 WeakPolarHBondContact O-CG2 3.42Å; A177-V181 PolarHBondContact O-N 3.25Å; A177-L395 HydrophobicContact CB-CD1 4.1Å; A177-A398 HydrophobicContact CB-CB 3.89Å; A177-M399 HydrophobicContact CB-CG 3.89Å; A177-V402 HydrophobicContact CB-CG2 4.35Å
178	Y	90.3	Very high	86.3	Confident	16 Å²	16	46.8 Å²	46.8	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-49.1	178.2	-178.9	-106	0	0	0	112.1	E150 V153 C174 K175 A180 V181 K182 V402 M406	E150-Y178 HydrophobicContact CB-CD1 4.45Å; E150-Y178 HydrophobicContact CB-CE1 3.76Å; E150-Y178 HydrophobicContact CG-CD1 3.77Å; E150-Y178 HydrophobicContact CG-CE1 3.54Å; E150-Y178 HydrophobicContact CG-CG 4.39Å; V153-Y178 HydrophobicContact CB-CD2 4.13Å; V153-Y178 HydrophobicContact CB-CE2 4.17Å; V153-Y178 HydrophobicContact CG1-CD2 3.75Å; V153-Y178 HydrophobicContact CG1-CE2 4.18Å; V153-Y178 HydrophobicContact CG2-CE2 4.24Å; C174-Y178 WeakPolarHBondContact O-CB 3.4Å; C174-Y178 PolarHBondContact O-N 3.33Å; K175-Y178 PolarHBondContact O-N 2.9Å; Y178-A180 PolarHBondContact O-N 2.97Å; Y178-V181 PolarHBondContact O-N 2.94Å; Y178-K182 HydrophobicContact CE1-CD 4.28Å; Y178-K182 VanDerWaalsContact O-CB 3.26Å; Y178-K182 WeakPolarHBondContact O-CB 3.47Å; Y178-K182 PolarHBondContact O-N 3.19Å; Y178-V402 HydrophobicContact CD2-CG1 4.3Å; Y178-M406 HydrophobicContact CD2-CE 4.32Å; Y178-M406 HydrophobicContact CE2-CE 4.01Å
179	D	89.9	Confident	86.1	Confident	51 Å²	51	46.8 Å²	46.8	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-44.9	179.8	-71.2	-20.1	0	0	0	111	K175 K182 I183 V218	K175-D179 WeakPolarHBondContact O-CB 3.19Å; K175-D179 VanDerWaalsContact O-CG 3.28Å; K175-D179 PolarHBondContact O-N 3.47Å; D179-K182 PolarHBondContact O-N 2.7Å; D179-I183 WeakPolarHBondContact O-CD1 3.13Å; D179-I183 WeakPolarHBondContact O-CG1 3.21Å; D179-I183 PolarHBondContact O-N 3.26Å; D179-V218 HydrophobicContact CB-CB 4.45Å; D179-V218 HydrophobicContact CB-CG2 4.26Å
180	A	90.6	Very high	85.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-47.3	178.7	0	0	0	0	0	112.6	I176 Y178 I183 V184 V218 I378 M399	I176-A180 WeakPolarHBondContact O-CB 3.49Å; I176-A180 PolarHBondContact O-N 3.05Å; Y178-A180 PolarHBondContact O-N 2.97Å; A180-I183 PolarHBondContact O-N 2.87Å; A180-V184 WeakPolarHBondContact O-CG2 3.37Å; A180-V184 PolarHBondContact O-N 3.29Å; A180-V218 HydrophobicContact CB-CG1 4.36Å; A180-V218 HydrophobicContact CB-CG2 4.43Å; A180-I378 HydrophobicContact CB-CD1 3.68Å; A180-I378 HydrophobicContact CB-CG1 4.1Å; A180-M399 HydrophobicContact CB-SD 4.11Å
181	V	89.7	Confident	85.6	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-68.3	-37.9	-179.2	175.8	0	0	0	0	111.1	A177 Y178 I183 V184 T185 I194 I196 M399 V402 M406	A177-V181 WeakPolarHBondContact O-CB 3.46Å; A177-V181 VanDerWaalsContact O-CG2 3.28Å; A177-V181 WeakPolarHBondContact O-CG2 3.42Å; A177-V181 PolarHBondContact O-N 3.25Å; Y178-V181 PolarHBondContact O-N 2.94Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.49Å; V181-V184 PolarHBondContact O-N 3.11Å; V181-T185 PolarHBondContact O-N 3.22Å; V181-T185 PolarHBondContact O-OG1 2.9Å; V181-I194 HydrophobicContact CG1-CD1 4.27Å; V181-I194 HydrophobicContact CG1-CG2 3.94Å; V181-I196 HydrophobicContact CG2-CD1 4.24Å; V181-I196 HydrophobicContact CG2-CG1 4.41Å; V181-M399 HydrophobicContact CG2-CB 3.87Å; V181-M399 HydrophobicContact CG2-CG 4.15Å; V181-M399 WeakPolarHBondContact CG2-O 3.45Å; V181-V402 HydrophobicContact CB-CB 4.27Å; V181-V402 HydrophobicContact CB-CG1 3.77Å; V181-V402 HydrophobicContact CG1-CB 4.36Å; V181-V402 HydrophobicContact CG1-CG1 3.76Å; V181-V402 HydrophobicContact CG2-CB 4.1Å; V181-V402 HydrophobicContact CG2-CG1 4.16Å; V181-M406 HydrophobicContact CG1-CE 4.24Å; V181-M406 HydrophobicContact CG1-SD 3.72Å
182	K	88.7	Confident	85.3	Confident	126 Å²	126	56.5 Å²	56.5	55%	0.548	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-40.9	175	-173	179.2	-179.2	-178.9	0	112.1	Y178 D179 M406	Y178-K182 HydrophobicContact CE1-CD 4.28Å; Y178-K182 VanDerWaalsContact O-CB 3.26Å; Y178-K182 WeakPolarHBondContact O-CB 3.47Å; Y178-K182 PolarHBondContact O-N 3.19Å; D179-K182 PolarHBondContact O-N 2.7Å; K182-M406 HydrophobicContact CB-CE 4.43Å
183	I	87.2	Confident	85.2	Confident	36 Å²	36	60.3 Å²	60.3	19%	0.185	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-41.2	176.4	-69.9	164.8	0	0	0	111.3	D179 A180 V181 T185 V218 P373 C376	D179-I183 WeakPolarHBondContact O-CD1 3.13Å; D179-I183 WeakPolarHBondContact O-CG1 3.21Å; D179-I183 PolarHBondContact O-N 3.26Å; A180-I183 PolarHBondContact O-N 2.87Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.49Å; I183-T185 VanDerWaalsContact C-N 3.31Å; I183-T185 PolarHBondContact O-N 3.49Å; I183-V218 HydrophobicContact CD1-CG1 3.91Å; I183-P373 HydrophobicContact CG2-CB 3.72Å; I183-P373 HydrophobicContact CG2-CG 3.86Å; I183-P373 WeakPolarHBondContact CG2-O 3.37Å; I183-C376 HydrophobicContact CB-CB 4.28Å; I183-C376 HydrophobicContact CD1-CB 4.2Å; I183-C376 HydrophobicContact CG2-CB 3.79Å
184	V	87.1	Confident	85.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-77.8	-17.2	-177.4	172.8	0	0	0	0	113	A180 V181 V186 D195 Y199 A200	A180-V184 WeakPolarHBondContact O-CG2 3.37Å; A180-V184 PolarHBondContact O-N 3.29Å; V181-V184 PolarHBondContact O-N 3.11Å; V184-V186 PolarHBondContact O-N 3Å; V184-D195 WeakPolarHBondContact CG1-O 3.34Å; V184-Y199 HydrophobicContact CG1-CD2 4.39Å; V184-A200 HydrophobicContact CG2-CB 4.24Å
185	T	85	Confident	85	Confident	32 Å²	32	61.9 Å²	61.9	20%	0.196	32%	0.315	C	S	.	.			trans	-67.2	117.7	-178.4	-62.1	0	0	0	0	110.7	V181 I183 K192 I194	V181-T185 PolarHBondContact O-N 3.22Å; V181-T185 PolarHBondContact O-OG1 2.9Å; I183-T185 VanDerWaalsContact C-N 3.31Å; I183-T185 PolarHBondContact O-N 3.49Å; T185-K192 HydrophobicContact CG2-CG 4.5Å; T185-I194 HydrophobicContact CG2-CD1 4.33Å; T185-I194 HydrophobicContact CG2-CG1 4.13Å
186	V	83.9	Confident	84.7	Confident	24 Å²	24	57.3 Å²	57.3	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.1	173.7	-176.4	0	0	0	0	108.7	V184 E193 K374	V184-V186 PolarHBondContact O-N 3Å; V186-E193 PolarHBondContact N-O 3.42Å; V186-E193 VanDerWaalsContact N-O 3.08Å; V186-E193 PolarHBondContact O-N 3.45Å; V186-K374 HydrophobicContact CG2-CB 4.22Å; V186-K374 HydrophobicContact CG2-CD 3.91Å; V186-K374 HydrophobicContact CG2-CG 4Å
187	E	82.2	Confident	84.4	Confident	135 Å²	135	64.9 Å²	64.9	63%	0.631	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.5	170.4	-62	-169.8	164.8	0	0	108.7	K192	E187-K192 HydrophobicContact CG-CG 4.04Å; E187-K192 WeakPolarHBondContact OE1-CE 3.42Å; E187-K192 IonicContact OE1-NZ 3.38Å
188	T	78.9	Confident	83.9	Confident	70 Å²	70	72.8 Å²	72.8	43%	0.429	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.3	173.5	-48.6	0	0	0	0	107.8	G190 R191	T188-G190 VanDerWaalsContact C-N 3.26Å; T188-G190 PolarHBondContact O-N 3.3Å; T188-G190 VanDerWaalsContact O-N 3.16Å; T188-R191 PolarHBondContact N-O 3.42Å; T188-R191 PolarHBondContact O-N 3.13Å; T188-R191 VanDerWaalsContact O-O 3.11Å
189	D	74	Confident	83.4	Confident	160 Å²	160	73.9 Å²	73.9	86%	0.856	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.3	177	-54.9	-30.8	0	0	0	114.9	R191	D189-R191 PolarHBondContact O-N 3.03Å
190	G	75.5	Confident	82.8	Confident	83 Å²	83	71.9 Å²	71.9	86%	0.856	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	1.5	-179	0	0	0	0	0	114.8	T188	T188-G190 VanDerWaalsContact C-N 3.26Å; T188-G190 PolarHBondContact O-N 3.3Å; T188-G190 VanDerWaalsContact O-N 3.16Å
191	R	79.1	Confident	82.4	Confident	206 Å²	206	72.6 Å²	72.6	78%	0.777	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.9	170.5	-66.1	-177.6	178.3	177.4	0.8	109.7	T188 D189	T188-R191 PolarHBondContact N-O 3.42Å; T188-R191 PolarHBondContact O-N 3.13Å; T188-R191 VanDerWaalsContact O-O 3.11Å; D189-R191 PolarHBondContact O-N 3.03Å
192	K	80.9	Confident	81.8	Confident	74 Å²	74	73.8 Å²	73.8	32%	0.322	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.1	171.8	-70.3	178	177.2	-176.9	0	108.6	T185 E187 L407	T185-K192 HydrophobicContact CG2-CG 4.5Å; E187-K192 HydrophobicContact CG-CG 4.04Å; E187-K192 WeakPolarHBondContact OE1-CE 3.42Å; E187-K192 IonicContact OE1-NZ 3.38Å; K192-L407 HydrophobicContact CB-CD2 4.34Å; K192-L407 WeakPolarHBondContact O-CD2 3.47Å
193	E	83.2	Confident	81.2	Confident	119 Å²	119	69.2 Å²	69.2	56%	0.556	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	124	170.5	-168.2	-179.1	170.9	0	0	108.8	V186	V186-E193 PolarHBondContact N-O 3.42Å; V186-E193 VanDerWaalsContact N-O 3.08Å; V186-E193 PolarHBondContact O-N 3.45Å
194	I	83.9	Confident	80.4	Confident	9 Å²	9	70.8 Å²	70.8	5%	0.046	35%	0.35	C	S	.	.			trans	-129.5	103.1	-179.4	-52.7	177.6	0	0	0	107.8	V181 T185 I196 R403 M406 L407	V181-I194 HydrophobicContact CG1-CD1 4.27Å; V181-I194 HydrophobicContact CG1-CG2 3.94Å; T185-I194 HydrophobicContact CG2-CD1 4.33Å; T185-I194 HydrophobicContact CG2-CG1 4.13Å; I194-I196 HydrophobicContact CG2-CG1 4.08Å; I194-R403 HydrophobicContact CB-CG 4.09Å; I194-R403 HydrophobicContact CD1-CG 4.38Å; I194-R403 HydrophobicContact CG2-CB 4.12Å; I194-R403 HydrophobicContact CG2-CG 3.98Å; I194-R403 PolarHBondContact O-NE 2.85Å; I194-R403 VanDerWaalsContact O-NE 3.12Å; I194-M406 HydrophobicContact CD1-CB 3.72Å; I194-M406 HydrophobicContact CD1-SD 4.11Å; I194-L407 HydrophobicContact CD1-CG 4.47Å
195	D	84.1	Confident	78.9	Confident	36 Å²	36	71 Å²	71	19%	0.193	35%	0.351	C	S	.	.			trans	-111.8	90.2	174.6	-176	-10	0	0	0	110.4	V184 K197 R198 Y199	V184-D195 WeakPolarHBondContact CG1-O 3.34Å; D195-K197 VanDerWaalsContact C-N 3.34Å; D195-K197 PolarHBondContact OD1-N 3.41Å; D195-K197 VanDerWaalsContact OD1-N 3.13Å; D195-R198 PolarHBondContact OD1-N 3.27Å; D195-R198 WeakPolarHBondContact OD2-CB 3.31Å; D195-R198 WeakPolarHBondContact OD2-CD 3.31Å; D195-R198 WeakPolarHBondContact OD2-CG 3.29Å; D195-R198 IonicContact OD2-NE 2.89Å; D195-Y199 HydrophobicContact CB-CD2 3.87Å; D195-Y199 HydrophobicContact CB-CE2 3.96Å; D195-Y199 WeakPolarHBondContact O-CD2 3.3Å; D195-Y199 PolarHBondContact O-N 3.47Å
196	I	84.9	Confident	77.5	Confident	16 Å²	16	77.3 Å²	77.3	8%	0.082	37%	0.371	C	S	.	.	H	α-helix	trans	-64.5	-40.4	178.7	-59.6	164.5	0	0	0	110.2	V181 I194 R198 A200 M399 N400 R403	V181-I196 HydrophobicContact CG2-CD1 4.24Å; V181-I196 HydrophobicContact CG2-CG1 4.41Å; I194-I196 HydrophobicContact CG2-CG1 4.08Å; I196-R198 PolarHBondContact O-N 3.05Å; I196-A200 HydrophobicContact CG2-CB 3.84Å; I196-A200 WeakPolarHBondContact O-CA 3.16Å; I196-A200 VanDerWaalsContact O-CB 3.28Å; I196-A200 WeakPolarHBondContact O-CB 3.4Å; I196-A200 PolarHBondContact O-N 2.91Å; I196-M399 HydrophobicContact CD1-CB 3.9Å; I196-M399 WeakPolarHBondContact CD1-O 3.49Å; I196-M399 HydrophobicContact CG2-CB 4.23Å; I196-M399 HydrophobicContact CG2-CE 3.87Å; I196-M399 HydrophobicContact CG2-SD 3.95Å; I196-N400 WeakPolarHBondContact CD1-OD1 3.28Å; I196-R403 HydrophobicContact CD1-CB 3.76Å; I196-R403 HydrophobicContact CD1-CG 4.35Å
197	K	82.5	Confident	76.1	Confident	167 Å²	167	80.1 Å²	80.1	73%	0.726	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-39.8	-171.6	-174.3	174.6	-175.4	170.9	0	112.5	D195	D195-K197 VanDerWaalsContact C-N 3.34Å; D195-K197 PolarHBondContact OD1-N 3.41Å; D195-K197 VanDerWaalsContact OD1-N 3.13Å
198	R	80.1	Confident	74.6	Confident	166 Å²	166	76.7 Å²	76.7	63%	0.626	37%	0.367	S	S	*	.	H	α-helix	trans	-84.8	-41.7	-179.4	-64.9	-173	-172.6	174.1	-0.4	112.3	D195 I196 R326	D195-R198 PolarHBondContact OD1-N 3.27Å; D195-R198 WeakPolarHBondContact OD2-CB 3.31Å; D195-R198 WeakPolarHBondContact OD2-CD 3.31Å; D195-R198 WeakPolarHBondContact OD2-CG 3.29Å; D195-R198 IonicContact OD2-NE 2.89Å; I196-R198 PolarHBondContact O-N 3.05Å; R198-R326 PolarHBondContact O-NE 3.08Å; R198-R326 PolarHBondContact O-NH2 3.45Å
199	Y	79.1	Confident	73.2	Confident	38 Å²	38	79.4 Å²	79.4	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-107.6	-16.3	-165.2	-54.5	-59.3	0	0	0	115.4	V184 D195 R329 A375 C376	V184-Y199 HydrophobicContact CG1-CD2 4.39Å; D195-Y199 HydrophobicContact CB-CD2 3.87Å; D195-Y199 HydrophobicContact CB-CE2 3.96Å; D195-Y199 WeakPolarHBondContact O-CD2 3.3Å; D195-Y199 PolarHBondContact O-N 3.47Å; Y199-R329 HydrophobicContact CD1-CG 4.15Å; Y199-R329 HydrophobicContact CE1-CG 3.67Å; Y199-R329 PolarHBondContact OH-NE 3.11Å; Y199-R329 PolarHBondContact OH-NH2 2.94Å; Y199-A375 HydrophobicContact CD1-CB 4.5Å; Y199-A375 WeakPolarHBondContact O-CA 3.39Å; Y199-C376 PolarHBondContact O-N 2.81Å
200	A	78	Confident	72.3	Confident	10 Å²	10	74.9 Å²	74.9	8%	0.083	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	99.1	167.3	0	0	0	0	0	109.2	V184 I196 M399	V184-A200 HydrophobicContact CG2-CB 4.24Å; I196-A200 HydrophobicContact CG2-CB 3.84Å; I196-A200 WeakPolarHBondContact O-CA 3.16Å; I196-A200 VanDerWaalsContact O-CB 3.28Å; I196-A200 WeakPolarHBondContact O-CB 3.4Å; I196-A200 PolarHBondContact O-N 2.91Å; A200-M399 HydrophobicContact CB-SD 4.39Å
201	K	82.2	Confident	71.8	Confident	14 Å²	14	71.3 Å²	71.3	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.5	174.8	-170.9	-177.9	-174.3	-170.9	0	108.9	E203 M223 D323 C376 T377 I378	K201-E203 HydrophobicContact CD-CG 3.98Å; K201-E203 WeakPolarHBondContact CE-OE1 3.5Å; K201-E203 HydrophobicContact CG-CG 4.25Å; K201-E203 IonicContact NZ-OE1 2.91Å; K201-E203 PolarHBondContact NZ-OE1 3.37Å; K201-M223 PolarHBondContact NZ-O 3.45Å; K201-D323 WeakPolarHBondContact CD-OD1 3.38Å; K201-D323 WeakPolarHBondContact CE-OD1 3.41Å; K201-D323 IonicContact NZ-OD1 3.92Å; K201-D323 PolarHBondContact NZ-OD1 3.37Å; K201-D323 IonicContact NZ-OD2 2.59Å; K201-D323 PolarHBondContact NZ-OD2 2.98Å; K201-C376 PolarHBondContact N-O 3.34Å; K201-T377 HydrophobicContact CB-CG2 4.25Å; K201-T377 HydrophobicContact CD-CG2 4.36Å; K201-T377 HydrophobicContact CG-CG2 4.43Å; K201-T377 CarbonylContact O-C 3.59Å; K201-T377 VanDerWaalsContact O-CA 3.29Å; K201-T377 WeakPolarHBondContact O-CA 3.39Å; K201-I378 PolarHBondContact O-N 2.82Å
202	V	77.2	Confident	71.8	Confident	26 Å²	26	63.4 Å²	63.4	16%	0.158	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.2	166.8	-175.4	0	0	0	0	107.9	K204 I378 L380 E392	V202-K204 HydrophobicContact CG1-CG 4.45Å; V202-I378 HydrophobicContact CG2-CD1 4.49Å; V202-L380 HydrophobicContact CG1-CD1 3.49Å; V202-L380 VanDerWaalsContact CG1-CD1 3.49Å; V202-L380 HydrophobicContact CG1-CG 3.94Å; V202-E392 HydrophobicContact CB-CG 4.4Å; V202-E392 HydrophobicContact CG1-CB 4.43Å; V202-E392 HydrophobicContact CG1-CG 4.01Å; V202-E392 HydrophobicContact CG2-CG 4.45Å
203	E	76	Confident	71.9	Confident	30 Å²	30	60.7 Å²	60.7	14%	0.14	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.2	171	-84.6	-68.1	-178	0	0	109.2	K201 M223 T377 I378 L380	K201-E203 HydrophobicContact CD-CG 3.98Å; K201-E203 WeakPolarHBondContact CE-OE1 3.5Å; K201-E203 HydrophobicContact CG-CG 4.25Å; K201-E203 IonicContact NZ-OE1 2.91Å; K201-E203 PolarHBondContact NZ-OE1 3.37Å; E203-M223 HydrophobicContact CB-SD 4.32Å; E203-T377 HydrophobicContact CB-CG2 3.77Å; E203-T377 HydrophobicContact CG-CG2 3.6Å; E203-I378 PolarHBondContact N-O 3.3Å; E203-L380 PolarHBondContact O-N 3.04Å
204	K	69.7	Low	72	Confident	69 Å²	69	61.5 Å²	61.5	30%	0.3	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	107.8	178.4	-64.8	177	-174.6	170.4	0	108.4	V202 N389 E392	V202-K204 HydrophobicContact CG1-CG 4.45Å; K204-N389 PolarHBondContact NZ-OD1 3.08Å; K204-E392 VanDerWaalsContact CE-OE1 3.31Å; K204-E392 WeakPolarHBondContact CE-OE1 3.43Å; K204-E392 WeakPolarHBondContact CE-OE2 3.35Å; K204-E392 VanDerWaalsContact NZ-CD 3.35Å; K204-E392 IonicContact NZ-OE1 2.87Å; K204-E392 IonicContact NZ-OE2 2.6Å; K204-E392 PolarHBondContact NZ-OE2 3.47Å
205	V	56.8	Low	72.1	Confident	8 Å²	8	63.6 Å²	63.6	5%	0.048	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112.7	171.8	178.4	0	0	0	0	108.4	M223 I359 F364 L379 L380	V205-M223 HydrophobicContact CG2-CE 3.67Å; V205-I359 HydrophobicContact CG1-CG2 3.71Å; V205-F364 HydrophobicContact CG2-CE1 4.31Å; V205-F364 HydrophobicContact CG2-CE2 4.45Å; V205-F364 HydrophobicContact CG2-CZ 4Å; V205-L379 HydrophobicContact CB-CD1 3.79Å; V205-L379 HydrophobicContact CG2-CD1 3.28Å; V205-L380 PolarHBondContact N-O 2.83Å
206	R	56.1	Low	72.2	Confident	163 Å²	163	62.1 Å²	62.1	62%	0.615	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	143.5	174.3	-178.7	-178	175.9	179.4	0.4	108.8	I208	R206-I208 PolarHBondContact O-N 3.37Å
207	K	53.1	Low	72.4	Confident	84 Å²	84	64.3 Å²	64.3	37%	0.365	33%	0.328	S	S	.	.			trans	-53.4	106.4	170.4	-151.5	158.3	174.7	160.5	0	110.9	G211 G382 A383	K207-G211 VanDerWaalsContact CD-O 3.25Å; K207-G211 WeakPolarHBondContact CD-O 3.44Å; K207-G211 WeakPolarHBondContact CE-O 3.4Å; K207-G211 PolarHBondContact NZ-O 3.44Å; K207-G382 WeakPolarHBondContact CB-O 3.19Å; K207-A383 HydrophobicContact CD-CB 4.17Å
208	I	52.1	Low	72.8	Confident	63 Å²	63	58 Å²	58	32%	0.323	30%	0.303	S	S	.	.			trans	-70.2	137.4	135	-59.9	117.6	0	0	0	105.5	R206 G210 I359 G360	R206-I208 PolarHBondContact O-N 3.37Å; I208-G210 PolarHBondContact O-N 2.84Å; I208-I359 HydrophobicContact CD1-CG2 3.91Å; I208-I359 WeakPolarHBondContact CD1-O 3.39Å; I208-G360 VanDerWaalsContact CG1-CA 3.5Å
209	P	49.9	Very low	73.3	Confident	127 Å²	127	51.4 Å²	51.4	83%	0.825	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.8	120.4	-177.3	9.6	-24	0	0	0	111.3
210	G	53.9	Low	73.6	Confident	64 Å²	64	52.4 Å²	52.4	66%	0.66	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.4	-32.2	178.5	0	0	0	0	0	116.1	I208	I208-G210 PolarHBondContact O-N 2.84Å
211	G	65.9	Low	74.1	Confident	8 Å²	8	51.9 Å²	51.9	8%	0.082	28%	0.284	C	S	.	.			trans	-75.2	127.2	-175.3	0	0	0	0	0	114.7	K207 D215	K207-G211 VanDerWaalsContact CD-O 3.25Å; K207-G211 WeakPolarHBondContact CD-O 3.44Å; K207-G211 WeakPolarHBondContact CE-O 3.4Å; K207-G211 PolarHBondContact NZ-O 3.44Å; G211-D215 WeakPolarHBondContact CA-OD2 3.46Å
212	S	79.4	Confident	74.5	Confident	40 Å²	40	51.3 Å²	51.3	28%	0.28	28%	0.281	S	S	.	.			trans	-92.4	176.2	165.3	68.5	0	0	0	0	110.9	E214 D215 R381	S212-E214 VanDerWaalsContact C-N 3.27Å; S212-E214 WeakPolarHBondContact OG-CB 3.49Å; S212-E214 PolarHBondContact OG-N 3.47Å; S212-D215 PolarHBondContact N-OD2 3.05Å; S212-D215 VanDerWaalsContact N-OD2 3.16Å; S212-D215 WeakPolarHBondContact O-CB 3.43Å; S212-D215 PolarHBondContact OG-N 3.23Å; S212-R381 CarbonylContact O-C 3.58Å; S212-R381 VanDerWaalsContact O-CB 3.29Å; S212-R381 WeakPolarHBondContact O-CB 3.26Å
213	V	82	Confident	75.2	Confident	18 Å²	18	50 Å²	50	11%	0.109	27%	0.274	C	S	.	.	S	Bend	trans	-70.8	-30.8	169.7	178.4	0	0	0	0	110.6	W169 L172 D215 S216 R381	W169-V213 HydrophobicContact CB-CG1 4.45Å; W169-V213 HydrophobicContact CD2-CB 4.11Å; W169-V213 HydrophobicContact CD2-CG1 4.02Å; W169-V213 HydrophobicContact CE3-CG1 4.29Å; W169-V213 HydrophobicContact CG-CB 4.39Å; W169-V213 HydrophobicContact CG-CG1 4.09Å; W169-V213 HydrophobicContact CH2-CG2 4.44Å; W169-V213 HydrophobicContact CZ2-CB 4.47Å; W169-V213 HydrophobicContact CZ2-CG2 4.37Å; L172-V213 VanDerWaalsContact CD2-O 3.3Å; L172-V213 WeakPolarHBondContact CD2-O 3.46Å; V213-D215 PolarHBondContact O-N 3.01Å; V213-D215 VanDerWaalsContact O-N 3.13Å; V213-S216 VanDerWaalsContact O-CB 3.24Å; V213-S216 WeakPolarHBondContact O-CB 3.27Å; V213-S216 PolarHBondContact O-N 2.95Å; V213-S216 PolarHBondContact O-OG 3.29Å; V213-R381 WeakPolarHBondContact CA-O 3.39Å
214	E	84.6	Confident	76	Confident	136 Å²	136	48.6 Å²	48.6	64%	0.636	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.2	179.8	-60.5	172.4	167.2	0	0	113.4	L172 S212 S216	L172-E214 VanDerWaalsContact CD2-CA 3.49Å; S212-E214 VanDerWaalsContact C-N 3.27Å; S212-E214 WeakPolarHBondContact OG-CB 3.49Å; S212-E214 PolarHBondContact OG-N 3.47Å; E214-S216 PolarHBondContact O-N 2.98Å
215	D	85.8	Confident	77	Confident	53 Å²	53	48.9 Å²	48.9	28%	0.283	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.4	-178.9	-108.9	-13.3	0	0	0	112.5	G211 S212 V213 R381	G211-D215 WeakPolarHBondContact CA-OD2 3.46Å; S212-D215 PolarHBondContact N-OD2 3.05Å; S212-D215 VanDerWaalsContact N-OD2 3.16Å; S212-D215 WeakPolarHBondContact O-CB 3.43Å; S212-D215 PolarHBondContact OG-N 3.23Å; V213-D215 PolarHBondContact O-N 3.01Å; V213-D215 VanDerWaalsContact O-N 3.13Å; D215-R381 VanDerWaalsContact CA-NH2 3.33Å; D215-R381 HydrophobicContact CB-CB 4.29Å; D215-R381 PolarHBondContact O-NE 3.21Å; D215-R381 PolarHBondContact O-NH2 3.15Å; D215-R381 IonicContact OD1-CZ 2.99Å; D215-R381 IonicContact OD1-NH1 3.72Å; D215-R381 IonicContact OD1-NH2 2.58Å; D215-R381 PolarHBondContact OD1-NH2 3.06Å; D215-R381 IonicContact OD2-CZ 2.71Å; D215-R381 IonicContact OD2-NH1 3.67Å; D215-R381 PolarHBondContact OD2-NH1 3.2Å; D215-R381 IonicContact OD2-NH2 3.02Å
216	S	86.7	Confident	78.7	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.028	29%	0.285	C	S	.	.			trans	-74.8	138	177.8	-55	0	0	0	0	111.4	V213 E214 L379 R381	V213-S216 VanDerWaalsContact O-CB 3.24Å; V213-S216 WeakPolarHBondContact O-CB 3.27Å; V213-S216 PolarHBondContact O-N 2.95Å; V213-S216 PolarHBondContact O-OG 3.29Å; E214-S216 PolarHBondContact O-N 2.98Å; S216-L379 CarbonylContact C-O 3.58Å; S216-L379 WeakPolarHBondContact CA-O 3.37Å; S216-L379 VanDerWaalsContact CB-O 3.26Å; S216-L379 WeakPolarHBondContact CB-O 3.26Å; S216-R381 PolarHBondContact OG-N 2.76Å; S216-R381 PolarHBondContact OG-O 3.47Å
217	V	89.3	Confident	80.5	Confident	63 Å²	63	46.6 Å²	46.6	38%	0.382	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.6	-173.9	-66	0	0	0	0	111.8	L219 L379	V217-L219 HydrophobicContact CG2-CD2 4.12Å; V217-L219 HydrophobicContact CG2-CG 4.42Å; V217-L379 HydrophobicContact CG2-CB 4.06Å; V217-L379 HydrophobicContact CG2-CD2 4.08Å; V217-L379 HydrophobicContact CG2-CG 4.49Å; V217-L379 PolarHBondContact N-O 2.89Å; V217-L379 PolarHBondContact O-N 2.88Å
218	V	91.2	Very high	82.4	Confident	33 Å²	33	43.2 Å²	43.2	20%	0.2	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.9	166	-176.8	0	0	0	0	108.2	I176 D179 A180 I183 C376 I378	I176-V218 HydrophobicContact CB-CG2 3.91Å; I176-V218 HydrophobicContact CG1-CG2 4.1Å; I176-V218 HydrophobicContact CG2-CG2 3.53Å; I176-V218 WeakPolarHBondContact O-CG2 3.42Å; D179-V218 HydrophobicContact CB-CB 4.45Å; D179-V218 HydrophobicContact CB-CG2 4.26Å; A180-V218 HydrophobicContact CB-CG1 4.36Å; A180-V218 HydrophobicContact CB-CG2 4.43Å; I183-V218 HydrophobicContact CD1-CG1 3.91Å; V218-C376 HydrophobicContact CG1-CB 4.16Å; V218-I378 HydrophobicContact CG2-CG1 4.41Å
219	L	90.1	Very high	84.4	Confident	28 Å²	28	41.5 Å²	41.5	15%	0.147	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.4	173.6	-59.5	171.4	0	0	0	109.3	V217 G221 M223 F366 T368 C376 T377 L379	V217-L219 HydrophobicContact CG2-CD2 4.12Å; V217-L219 HydrophobicContact CG2-CG 4.42Å; L219-G221 PolarHBondContact O-N 3.34Å; L219-M223 HydrophobicContact CD1-CB 4.15Å; L219-M223 HydrophobicContact CD1-SD 4.19Å; L219-F366 HydrophobicContact CD1-CD1 3.81Å; L219-F366 HydrophobicContact CD1-CE1 3.79Å; L219-T368 HydrophobicContact CB-CG2 4.48Å; L219-T368 HydrophobicContact CD2-CG2 4.45Å; L219-C376 WeakPolarHBondContact O-CA 3.29Å; L219-C376 WeakPolarHBondContact O-CB 3.48Å; L219-T377 WeakPolarHBondContact CB-O 3.29Å; L219-T377 PolarHBondContact N-O 3.08Å; L219-T377 PolarHBondContact O-N 3.45Å; L219-T377 VanDerWaalsContact O-N 3.17Å; L219-L379 HydrophobicContact CD1-CB 4.45Å
220	D	86.8	Confident	86.4	Confident	59 Å²	59	37.9 Å²	37.9	32%	0.316	22%	0.218	S	C	.	.	S	Bend	trans	-76.8	50	176.1	62.4	-13.5	0	0	0	112.2	K369 C370 P373	D220-K369 PolarHBondContact OD1-N 3.42Å; D220-K369 VanDerWaalsContact OD2-CA 3.23Å; D220-K369 WeakPolarHBondContact OD2-CA 3.44Å; D220-K369 PolarHBondContact OD2-N 3.08Å; D220-C370 WeakPolarHBondContact O-CB 3.44Å; D220-C370 PolarHBondContact O-N 3.3Å; D220-P373 HydrophobicContact CB-CG 4.34Å
221	G	87.6	Confident	88	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	168.5	-145.9	178.7	0	0	0	0	0	112.7	L219 I367 C376 T377	L219-G221 PolarHBondContact O-N 3.34Å; G221-I367 CarbonylContact C-O 3.54Å; G221-I367 VanDerWaalsContact CA-O 3.26Å; G221-I367 WeakPolarHBondContact CA-O 3.28Å; G221-C376 CarbonylContact O-C 3.4Å; G221-C376 VanDerWaalsContact O-C 3.27Å; G221-C376 WeakPolarHBondContact O-CA 3.2Å; G221-T377 PolarHBondContact O-N 2.9Å; G221-T377 PolarHBondContact O-OG1 2.99Å
222	V	91.3	Very high	89.2	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	-170.4	-168.7	0	0	0	0	111.9	F224 R326 I327 A330 I367 T377	V222-F224 HydrophobicContact CG1-CD1 4.17Å; V222-R326 HydrophobicContact CG1-CB 4.43Å; V222-R326 HydrophobicContact CG2-CB 3.78Å; V222-I327 HydrophobicContact CB-CG1 3.79Å; V222-I327 HydrophobicContact CG1-CG1 3.87Å; V222-I327 HydrophobicContact CG2-CG1 3.89Å; V222-A330 HydrophobicContact CG2-CB 4.16Å; V222-I367 PolarHBondContact N-O 3.12Å; V222-I367 PolarHBondContact O-N 3.38Å; V222-T377 VanDerWaalsContact CA-OG1 3.3Å; V222-T377 WeakPolarHBondContact CA-OG1 3.36Å
223	M	91.5	Very high	89.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140	170.4	175.1	-172.2	172.5	0	0	110.2	K201 E203 V205 L219 I359 F364 T365 F366 T377 L379	K201-M223 PolarHBondContact NZ-O 3.45Å; E203-M223 HydrophobicContact CB-SD 4.32Å; V205-M223 HydrophobicContact CG2-CE 3.67Å; L219-M223 HydrophobicContact CD1-CB 4.15Å; L219-M223 HydrophobicContact CD1-SD 4.19Å; M223-I359 HydrophobicContact CE-CD1 3.99Å; M223-F364 HydrophobicContact CE-CB 3.83Å; M223-F364 HydrophobicContact CE-CD1 3.16Å; M223-F364 HydrophobicContact CE-CD2 4.06Å; M223-F364 HydrophobicContact CE-CE1 3.61Å; M223-F364 HydrophobicContact CE-CE2 4.43Å; M223-F364 HydrophobicContact CE-CG 3.41Å; M223-F364 VanDerWaalsContact CE-CG 3.41Å; M223-F364 HydrophobicContact CE-CZ 4.23Å; M223-F364 HydrophobicContact CG-CB 4.48Å; M223-F364 HydrophobicContact CG-CD1 4.29Å; M223-T365 WeakPolarHBondContact CA-O 3.4Å; M223-F366 HydrophobicContact CB-CD1 4.25Å; M223-F366 HydrophobicContact CB-CE1 4.24Å; M223-F366 HydrophobicContact CE-CE1 4.08Å; M223-F366 HydrophobicContact CE-CZ 3.79Å; M223-F366 HydrophobicContact CG-CD1 4.13Å; M223-F366 HydrophobicContact CG-CE1 3.71Å; M223-F366 HydrophobicContact CG-CZ 4.06Å; M223-F366 HydrophobicContact SD-CD1 4.36Å; M223-F366 HydrophobicContact SD-CE1 3.46Å; M223-F366 WeakPolarHBondContact SD-CE1 3.39Å; M223-F366 HydrophobicContact SD-CZ 3.82Å; M223-T377 HydrophobicContact CB-CG2 3.81Å; M223-T377 PolarHBondContact N-OG1 3.2Å; M223-L379 HydrophobicContact CE-CD1 4.02Å; M223-L379 HydrophobicContact SD-CD1 4Å
224	F	92	Very high	90.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	155.6	174.3	51.8	-94	0	0	0	112	V222 K226 I295 I316 L319 I327 F364 T365 I367	V222-F224 HydrophobicContact CG1-CD1 4.17Å; F224-K226 HydrophobicContact CD2-CB 3.85Å; F224-K226 HydrophobicContact CD2-CG 4.07Å; F224-K226 HydrophobicContact CE2-CB 4.07Å; F224-K226 PolarHBondContact O-N 3.47Å; F224-K226 VanDerWaalsContact O-N 3.13Å; F224-I295 HydrophobicContact CZ-CD1 4.42Å; F224-I316 HydrophobicContact CE2-CD1 3.75Å; F224-I316 HydrophobicContact CE2-CG1 4.47Å; F224-I316 HydrophobicContact CE2-CG2 3.8Å; F224-I316 HydrophobicContact CZ-CD1 3.71Å; F224-I316 HydrophobicContact CZ-CG2 4.42Å; F224-L319 HydrophobicContact CB-CD1 4Å; F224-L319 HydrophobicContact CD1-CD1 4.07Å; F224-L319 HydrophobicContact CD2-CD1 3.75Å; F224-L319 HydrophobicContact CE2-CD1 4.23Å; F224-L319 HydrophobicContact CG-CD1 3.65Å; F224-I327 HydrophobicContact CD1-CD1 4.05Å; F224-I327 HydrophobicContact CE1-CD1 3.55Å; F224-I327 HydrophobicContact CE1-CG1 4.48Å; F224-I327 HydrophobicContact CZ-CD1 4.35Å; F224-F364 WeakPolarHBondContact O-CA 3.41Å; F224-T365 HydrophobicContact CE1-CG2 4.14Å; F224-T365 HydrophobicContact CE2-CG2 3.73Å; F224-T365 HydrophobicContact CZ-CG2 3.42Å; F224-T365 VanDerWaalsContact CZ-CG2 3.42Å; F224-T365 PolarHBondContact N-O 3.49Å; F224-T365 VanDerWaalsContact N-O 3.13Å; F224-T365 PolarHBondContact O-N 2.97Å; F224-I367 HydrophobicContact CE1-CD1 3.91Å; F224-I367 HydrophobicContact CE1-CG1 4.43Å; F224-I367 HydrophobicContact CZ-CD1 4.35Å
225	N	90.7	Very high	90.6	Very high	75 Å²	75	49.1 Å²	49.1	40%	0.401	25%	0.249	S	C	.	.	S	Bend	trans	-88.4	64.1	-174.7	66.3	-24	0	0	0	112.7	Y363 F364	N225-Y363 CarbonylContact C-O 3.55Å; N225-F364 HydrophobicContact CB-CD1 3.94Å; N225-F364 HydrophobicContact CB-CE1 3.71Å
226	K	92.4	Very high	91.1	Very high	76 Å²	76	53.4 Å²	53.4	33%	0.33	26%	0.261	S	S	.	.			trans	-134.8	140.5	172.2	-59.6	-67.7	167.3	-166.7	0	109.9	F224 I316 T365	F224-K226 HydrophobicContact CD2-CB 3.85Å; F224-K226 HydrophobicContact CD2-CG 4.07Å; F224-K226 HydrophobicContact CE2-CB 4.07Å; F224-K226 PolarHBondContact O-N 3.47Å; F224-K226 VanDerWaalsContact O-N 3.13Å; K226-I316 HydrophobicContact CB-CG2 3.92Å; K226-I316 HydrophobicContact CG-CG2 4.39Å; K226-T365 PolarHBondContact O-OG1 2.97Å
227	D	93.4	Very high	91.4	Very high	47 Å²	47	54.1 Å²	54.1	25%	0.251	27%	0.265	S	S	.	.			trans	-92.3	166.8	168.6	-164.2	6.6	0	0	0	109.7	R235 V356 Y363	D227-R235 IonicContact OD1-NE 3.39Å; D227-R235 IonicContact OD1-NH2 2.86Å; D227-R235 IonicContact OD2-CZ 2.76Å; D227-R235 IonicContact OD2-NH2 3.5Å; D227-R235 PolarHBondContact OD2-NH2 2.93Å; D227-V356 WeakPolarHBondContact OD1-CG1 3.45Å; D227-Y363 HydrophobicContact CB-CD2 4.37Å; D227-Y363 HydrophobicContact CB-CG 4.03Å
228	V	93.8	Very high	91.6	Very high	13 Å²	13	57.1 Å²	57.1	8%	0.079	27%	0.274	C	S	.	.			trans	-63.3	143.5	166.8	-126.8	0	0	0	0	109.8	H230 M233 R235 V356	V228-H230 PolarHBondContact O-N 3.48Å; V228-M233 HydrophobicContact CB-CB 4.24Å; V228-M233 HydrophobicContact CG1-CB 3.62Å; V228-M233 HydrophobicContact CG1-CG 4.35Å; V228-M233 HydrophobicContact CG1-SD 3.83Å; V228-R235 HydrophobicContact CG2-CG 3.76Å; V228-V356 HydrophobicContact CG2-CG2 3.91Å
229	V	93.7	Very high	91.5	Very high	27 Å²	27	60.6 Å²	60.6	16%	0.164	29%	0.292	C	S	.	.	S	Bend	trans	-71.4	-29	-173.7	-63.7	0	0	0	0	114	M233 Q305 V315 R317	V229-M233 HydrophobicContact CG2-CE 3.66Å; V229-M233 HydrophobicContact CG2-SD 3.58Å; V229-M233 VanDerWaalsContact CG2-SD 3.58Å; V229-Q305 HydrophobicContact CB-CG 4.13Å; V229-Q305 HydrophobicContact CG2-CB 4.22Å; V229-Q305 HydrophobicContact CG2-CG 3.57Å; V229-Q305 PolarHBondContact O-OE1 3.42Å; V229-V315 HydrophobicContact CG2-CB 3.73Å; V229-V315 HydrophobicContact CG2-CG1 4.23Å; V229-V315 PolarHBondContact N-O 3.38Å; V229-R317 HydrophobicContact CG1-CB 4.01Å; V229-R317 HydrophobicContact CG1-CG 3.6Å
230	H	91.7	Very high	91.7	Very high	50 Å²	50	59.3 Å²	59.3	23%	0.231	29%	0.285	C	S	.	.	S	Bend	trans	-126.2	134.8	-175.4	-171.2	-95.2	0	0	0	111.7	V228 R232 M233	V228-H230 PolarHBondContact O-N 3.48Å; H230-R232 PolarHBondContact ND1-N 3.41Å; H230-R232 PolarHBondContact O-N 3.11Å; H230-R232 VanDerWaalsContact O-N 3.13Å; H230-M233 HydrophobicContact CB-CE 3.86Å; H230-M233 HydrophobicContact CB-CG 3.98Å; H230-M233 HydrophobicContact CB-SD 3.85Å; H230-M233 WeakPolarHBondContact O-CB 3.27Å; H230-M233 PolarHBondContact O-N 2.85Å
231	P	89.4	Confident	92.1	Very high	121 Å²	121	59.9 Å²	59.9	79%	0.786	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.4	-175	-25.6	33.9	0	0	0	115.6	M233	P231-M233 VanDerWaalsContact C-N 3.31Å
232	R	89.2	Confident	92.4	Very high	210 Å²	210	59.9 Å²	59.9	79%	0.792	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.3	177.2	-61.3	-173.7	-175.4	175.5	0.2	113.7	H230	H230-R232 PolarHBondContact ND1-N 3.41Å; H230-R232 PolarHBondContact O-N 3.11Å; H230-R232 VanDerWaalsContact O-N 3.13Å
233	M	92.1	Very high	92.6	Very high	11 Å²	11	59.8 Å²	59.8	5%	0.054	28%	0.283	C	S	.	.	S	Bend	trans	-73.8	146.6	178.4	-70.6	173.6	177	0	0	110.9	V228 V229 H230 P231 R235 Q305 V315	V228-M233 HydrophobicContact CB-CB 4.24Å; V228-M233 HydrophobicContact CG1-CB 3.62Å; V228-M233 HydrophobicContact CG1-CG 4.35Å; V228-M233 HydrophobicContact CG1-SD 3.83Å; V229-M233 HydrophobicContact CG2-CE 3.66Å; V229-M233 HydrophobicContact CG2-SD 3.58Å; V229-M233 VanDerWaalsContact CG2-SD 3.58Å; H230-M233 HydrophobicContact CB-CE 3.86Å; H230-M233 HydrophobicContact CB-CG 3.98Å; H230-M233 HydrophobicContact CB-SD 3.85Å; H230-M233 WeakPolarHBondContact O-CB 3.27Å; H230-M233 PolarHBondContact O-N 2.85Å; P231-M233 VanDerWaalsContact C-N 3.31Å; M233-R235 PolarHBondContact O-N 3.3Å; M233-Q305 HydrophobicContact CE-CB 4.33Å; M233-Q305 WeakPolarHBondContact CE-O 3.41Å; M233-V315 HydrophobicContact CE-CB 3.96Å; M233-V315 HydrophobicContact CE-CG2 3.66Å; M233-V315 HydrophobicContact SD-CB 4.08Å; M233-V315 HydrophobicContact SD-CG2 4.25Å; M233-V315 PolarHBondContact SD-N 2.59Å; M233-V315 VanDerWaalsContact SD-N 3.37Å
234	S	92	Very high	92.8	Very high	54 Å²	54	59.8 Å²	59.8	38%	0.378	28%	0.283	S	S	.	.			trans	-68.3	121.1	-177.8	-65.7	0	0	0	0	110.8	R236 S314	S234-R236 VanDerWaalsContact C-N 3.32Å; S234-S314 PolarHBondContact N-OG 3.24Å; S234-S314 PolarHBondContact O-OG 3.08Å
235	R	93	Very high	92.9	Very high	106 Å²	106	59.8 Å²	59.8	40%	0.4	28%	0.283	S	S	.	.	S	Bend	trans	-80.5	-11.9	175.5	-74.3	-176.5	165.9	-178.5	-6.1	113.7	D227 V228 M233 E355 V356	D227-R235 IonicContact OD1-NE 3.39Å; D227-R235 IonicContact OD1-NH2 2.86Å; D227-R235 IonicContact OD2-CZ 2.76Å; D227-R235 IonicContact OD2-NH2 3.5Å; D227-R235 PolarHBondContact OD2-NH2 2.93Å; V228-R235 HydrophobicContact CG2-CG 3.76Å; M233-R235 PolarHBondContact O-N 3.3Å; R235-E355 CarbonylContact O-C 3.56Å; R235-E355 VanDerWaalsContact O-CA 3.32Å; R235-E355 WeakPolarHBondContact O-CA 3.36Å; R235-V356 HydrophobicContact CB-CB 4.26Å; R235-V356 HydrophobicContact CG-CB 4.31Å; R235-V356 PolarHBondContact O-N 3Å
236	R	94.3	Very high	93	Very high	143 Å²	143	58 Å²	58	54%	0.54	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	126.7	177.4	-177.9	174	165.4	-176.4	-8.1	110.5	S234 E238 L353 F354 E355	S234-R236 VanDerWaalsContact C-N 3.32Å; R236-E238 IonicContact CZ-OE1 3Å; R236-E238 IonicContact NE-OE1 3.73Å; R236-E238 IonicContact NH2-OE1 3.62Å; R236-E238 PolarHBondContact NH2-OE1 2.97Å; R236-L353 HydrophobicContact CG-CD1 4.05Å; R236-F354 CarbonylContact C-O 3.25Å; R236-F354 VanDerWaalsContact CA-O 3.26Å; R236-F354 WeakPolarHBondContact CA-O 3.37Å; R236-E355 HydrophobicContact CG-CG 4.45Å
237	I	93.7	Very high	92.9	Very high	20 Å²	20	55 Å²	55	10%	0.103	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	126.3	178.3	-59.5	164.2	0	0	0	108	P240 N292 V293 F354	I237-P240 HydrophobicContact CB-CB 4.4Å; I237-P240 HydrophobicContact CG2-CB 3.97Å; I237-N292 HydrophobicContact CD1-CB 4.3Å; I237-N292 HydrophobicContact CG2-CB 4.14Å; I237-V293 HydrophobicContact CD1-CG2 3.66Å; I237-F354 HydrophobicContact CB-CB 4.26Å; I237-F354 HydrophobicContact CB-CD1 4.37Å; I237-F354 HydrophobicContact CD1-CD1 4.06Å; I237-F354 HydrophobicContact CG1-CD1 4.27Å; I237-F354 PolarHBondContact N-O 3.36Å; I237-F354 PolarHBondContact O-N 3.46Å
238	E	92.8	Very high	92.7	Very high	125 Å²	125	54.8 Å²	54.8	58%	0.584	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.3	173.8	-60.4	-169.8	168	0	0	109.6	R236 L353	R236-E238 IonicContact CZ-OE1 3Å; R236-E238 IonicContact NE-OE1 3.73Å; R236-E238 IonicContact NH2-OE1 3.62Å; R236-E238 PolarHBondContact NH2-OE1 2.97Å; E238-L353 HydrophobicContact CG-CD1 4.2Å
239	N	91	Very high	92.6	Very high	107 Å²	107	54.2 Å²	54.2	57%	0.572	26%	0.257	S	S	*	.	S	Bend	trans	48.1	59.3	-172.6	-57.2	-57.9	0	0	0	113.6	G352	N239-G352 PolarHBondContact N-O 3.47Å
240	P	93.6	Very high	92.5	Very high	1 Å²	1	56 Å²	56	1%	0.006	26%	0.263	C	S	.	.			trans	-65	135.4	-177.3	30.1	-38.9	0	0	0	112.1	I237 I242 V293 A351 F354	I237-P240 HydrophobicContact CB-CB 4.4Å; I237-P240 HydrophobicContact CG2-CB 3.97Å; P240-I242 HydrophobicContact CB-CD1 4.48Å; P240-I242 HydrophobicContact CB-CG1 4.04Å; P240-I242 HydrophobicContact CG-CD1 4.04Å; P240-I242 HydrophobicContact CG-CG1 4.14Å; P240-V293 HydrophobicContact CB-CG2 3.79Å; P240-A351 WeakPolarHBondContact CD-O 3.43Å; P240-A351 HydrophobicContact CG-CB 3.88Å; P240-F354 HydrophobicContact CB-CB 3.99Å; P240-F354 HydrophobicContact CG-CB 3.82Å
241	R	94.2	Very high	92.5	Very high	70 Å²	70	58.2 Å²	58.2	26%	0.264	27%	0.27	S	S	.	.			trans	-82.3	109.9	162.4	-62.4	-179.1	74.9	-160.1	5.6	109	F289 N290 N292 V293 I347	R241-F289 PolarHBondContact NH1-O 3.05Å; R241-F289 PolarHBondContact NH2-O 3.47Å; R241-N290 PolarHBondContact NH1-O 3.41Å; R241-N292 WeakPolarHBondContact CB-OD1 3.37Å; R241-N292 WeakPolarHBondContact CG-OD1 3.46Å; R241-N292 PolarHBondContact N-OD1 2.88Å; R241-N292 PolarHBondContact O-N 3.34Å; R241-V293 PolarHBondContact O-N 3.09Å; R241-I347 HydrophobicContact CB-CG2 3.83Å
242	I	94.5	Very high	92.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.9	-171.9	-59.4	169.5	0	0	0	109.7	P240 L244 V293 I295 I327 C331 G348 A351 I367	P240-I242 HydrophobicContact CB-CD1 4.48Å; P240-I242 HydrophobicContact CB-CG1 4.04Å; P240-I242 HydrophobicContact CG-CD1 4.04Å; P240-I242 HydrophobicContact CG-CG1 4.14Å; I242-L244 HydrophobicContact CG2-CD2 3.67Å; I242-L244 HydrophobicContact CG2-CG 4.31Å; I242-V293 WeakPolarHBondContact CA-O 3.26Å; I242-V293 HydrophobicContact CG1-CB 4.17Å; I242-I295 HydrophobicContact CG2-CD1 4.04Å; I242-I295 HydrophobicContact CG2-CG1 4.43Å; I242-I327 HydrophobicContact CG2-CG2 4.37Å; I242-C331 HydrophobicContact CD1-CB 4.22Å; I242-C331 WeakPolarHBondContact CD1-SG 3.36Å; I242-G348 PolarHBondContact N-O 3.42Å; I242-G348 PolarHBondContact O-N 3.2Å; I242-A351 HydrophobicContact CD1-CB 3.52Å; I242-I367 HydrophobicContact CD1-CD1 4.27Å; I242-I367 HydrophobicContact CD1-CG2 3.92Å
243	L	95.2	Very high	92.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.5	170.2	179.7	64.1	0	0	0	109.7	M245 I286 P291 V293 L294 I295 I342	L243-M245 HydrophobicContact CD2-CG 4.38Å; L243-M245 HydrophobicContact CD2-SD 4.22Å; L243-M245 HydrophobicContact CG-CG 4.15Å; L243-I286 HydrophobicContact CD2-CG2 3.97Å; L243-P291 HydrophobicContact CB-CB 3.92Å; L243-P291 HydrophobicContact CB-CG 4.39Å; L243-P291 HydrophobicContact CD2-CG 4.3Å; L243-V293 PolarHBondContact N-O 2.97Å; L243-L294 HydrophobicContact CB-CD1 4.1Å; L243-L294 HydrophobicContact CD2-CD1 3.87Å; L243-L294 HydrophobicContact CG-CD1 3.98Å; L243-I295 PolarHBondContact O-N 2.83Å; L243-I342 HydrophobicContact CD1-CG2 4.12Å; L243-I342 HydrophobicContact CD2-CD1 3.74Å; L243-I342 HydrophobicContact CD2-CG1 4.48Å
244	L	95.5	Very high	91.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.1	-179.9	-56.7	-177.6	0	0	0	110.2	I242 I295 N324 I327 A328 A333 I335 V336	I242-L244 HydrophobicContact CG2-CD2 3.67Å; I242-L244 HydrophobicContact CG2-CG 4.31Å; L244-I295 HydrophobicContact CD2-CB 3.74Å; L244-I295 HydrophobicContact CD2-CD1 3.94Å; L244-I295 HydrophobicContact CD2-CG1 4.17Å; L244-I295 HydrophobicContact CD2-CG2 4.3Å; L244-N324 WeakPolarHBondContact CD2-OD1 3.41Å; L244-I327 HydrophobicContact CD1-CB 4.27Å; L244-I327 HydrophobicContact CD1-CG2 4.12Å; L244-I327 HydrophobicContact CD2-CB 4.39Å; L244-I327 HydrophobicContact CD2-CG2 3.81Å; L244-A328 VanDerWaalsContact CD1-CA 3.48Å; L244-A328 HydrophobicContact CD1-CB 3.65Å; L244-A333 HydrophobicContact CD1-CB 3.79Å; L244-A333 HydrophobicContact CG-CB 3.91Å; L244-I335 HydrophobicContact CB-CG1 4.12Å; L244-I335 HydrophobicContact CD1-CG1 4.16Å; L244-V336 PolarHBondContact O-N 3.27Å
245	M	93.6	Very high	91.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.8	-178.9	-57.3	-172.1	81.7	0	0	113.4	L243 C247 I286 L294 I295 T296 E297 V336 P339 I342	L243-M245 HydrophobicContact CD2-CG 4.38Å; L243-M245 HydrophobicContact CD2-SD 4.22Å; L243-M245 HydrophobicContact CG-CG 4.15Å; M245-C247 WeakPolarHBondContact CE-SG 2.91Å; M245-I286 HydrophobicContact SD-CD1 3.85Å; M245-I286 HydrophobicContact SD-CG1 4.23Å; M245-L294 HydrophobicContact CG-CD1 3.92Å; M245-L294 HydrophobicContact SD-CD1 3.74Å; M245-I295 PolarHBondContact N-O 3.05Å; M245-T296 HydrophobicContact CB-CG2 4.33Å; M245-T296 WeakPolarHBondContact O-CA 3.47Å; M245-E297 PolarHBondContact O-N 3.49Å; M245-V336 VanDerWaalsContact CA-O 3.25Å; M245-V336 WeakPolarHBondContact CA-O 3.45Å; M245-P339 HydrophobicContact CE-CB 3.82Å; M245-P339 HydrophobicContact CE-CG 4.47Å; M245-I342 HydrophobicContact CE-CD1 4.21Å
246	D	93.1	Very high	91.7	Very high	38 Å²	38	64 Å²	64	20%	0.203	31%	0.313	C	S	.	.			trans	-89.2	-24.9	169.6	-165.3	-2.6	0	0	0	111.8	K298 I335 V336	D246-K298 WeakPolarHBondContact O-CG 3.49Å; D246-I335 HydrophobicContact CB-CG2 4.44Å; D246-V336 PolarHBondContact N-O 3.01Å
247	C	90	Very high	91.4	Very high	11 Å²	11	66.7 Å²	66.7	7%	0.074	33%	0.332	C	S	.	.	S	Bend	trans	-67.6	154.4	-178.6	60.1	0	0	0	0	114.3	M245 N337	M245-C247 WeakPolarHBondContact CE-SG 2.91Å; C247-N337 WeakPolarHBondContact CB-O 3.24Å
248	N	90.8	Very high	90.9	Very high	43 Å²	43	70.7 Å²	70.7	23%	0.23	36%	0.358	C	S	.	.			trans	-73.7	141.2	160.4	59.3	-26.8	0	0	0	110.9	E250 K252 K298	N248-E250 VanDerWaalsContact C-N 3.31Å; N248-E250 HydrophobicContact CB-CB 4.38Å; N248-E250 HydrophobicContact CB-CG 4.46Å; N248-E250 PolarHBondContact O-N 3.19Å; N248-K252 WeakPolarHBondContact OD1-CE 3.45Å; N248-K298 HydrophobicContact CB-CB 3.8Å
249	L	91.6	Very high	90.5	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.005	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-99.5	61.3	170.4	-58.8	176.3	0	0	0	108.7	I286 L294 T296 G299 V300 S301 A304 L308	L249-I286 HydrophobicContact CD1-CD1 4.22Å; L249-I286 HydrophobicContact CD2-CD1 3.73Å; L249-L294 HydrophobicContact CD1-CD2 3.48Å; L249-L294 VanDerWaalsContact CD1-CD2 3.48Å; L249-T296 HydrophobicContact CD1-CG2 3.83Å; L249-T296 HydrophobicContact CG-CG2 4.17Å; L249-G299 PolarHBondContact N-O 3.46Å; L249-V300 HydrophobicContact CB-CB 4.41Å; L249-V300 HydrophobicContact CB-CG1 4.11Å; L249-V300 HydrophobicContact CB-CG2 4.26Å; L249-V300 HydrophobicContact CD1-CG1 4.23Å; L249-V300 HydrophobicContact CD1-CG2 4.06Å; L249-V300 HydrophobicContact CG-CG2 4.43Å; L249-S301 WeakPolarHBondContact O-CB 3.45Å; L249-S301 PolarHBondContact O-N 2.96Å; L249-A304 HydrophobicContact CB-CB 4.24Å; L249-L308 HydrophobicContact CD1-CD1 4.12Å
250	E	91.5	Very high	90.1	Very high	65 Å²	65	71.5 Å²	71.5	30%	0.304	37%	0.368	S	S	.	.	S	Bend	trans	-138	157.1	-176.8	-65.3	171.8	-179	0	0	108	N248 K252 G299	N248-E250 VanDerWaalsContact C-N 3.31Å; N248-E250 HydrophobicContact CB-CB 4.38Å; N248-E250 HydrophobicContact CB-CG 4.46Å; N248-E250 PolarHBondContact O-N 3.19Å; E250-K252 PolarHBondContact O-N 2.74Å; E250-G299 VanDerWaalsContact OE1-CA 3.27Å; E250-G299 WeakPolarHBondContact OE1-CA 3.46Å
251	Y	90.5	Very high	89.8	Confident	96 Å²	96	79.6 Å²	79.6	38%	0.376	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-60.1	125.1	175.1	-177.2	-103.7	0	0	0	110.6	I274 E275 F278	Y251-I274 HydrophobicContact CE2-CG2 4.24Å; Y251-E275 HydrophobicContact CD2-CB 4.22Å; Y251-E275 HydrophobicContact CD2-CG 4.17Å; Y251-E275 HydrophobicContact CG-CB 4.44Å; Y251-E275 HydrophobicContact CG-CG 4.04Å; Y251-F278 HydrophobicContact CD2-CB 3.98Å; Y251-F278 AromaticContact CD2-CD1 3.73Å; Y251-F278 HydrophobicContact CD2-CD1 3.73Å; Y251-F278 HydrophobicContact CD2-CG 4.01Å; Y251-F278 HydrophobicContact CE2-CB 4.14Å; Y251-F278 HydrophobicContact CE2-CD1 4.36Å; Y251-F278 HydrophobicContact CE2-CG 4.24Å
252	K	86.4	Confident	89.5	Confident	87 Å²	87	80.2 Å²	80.2	38%	0.378	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-95.1	132.3	180	-69.1	-178.2	-180	172.5	0	109.5	N248 E250 F278	N248-K252 WeakPolarHBondContact OD1-CE 3.45Å; E250-K252 PolarHBondContact O-N 2.74Å; K252-F278 HydrophobicContact CB-CE1 4.36Å; K252-F278 HydrophobicContact CB-CZ 4.37Å
253	K	86	Confident	89.2	Confident	185 Å²	185	85.2 Å²	85.2	80%	0.804	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-79	149.1	167.1	-62.4	-177.3	179.6	-176.6	0	109
254	G	85.1	Confident	88.9	Confident	47 Å²	47	90.2 Å²	90.2	49%	0.485	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-57	142.9	172.5	0	0	0	0	0	111.1	S256	G254-S256 PolarHBondContact O-N 3.09Å
255	E	90.1	Very high	88.5	Confident	208 Å²	208	97.7 Å²	97.7	97%	0.972	52%	0.516	S	S	*	.	S	Bend	trans	-68	-25.3	176.2	-65.2	-177.7	172.1	0	0	111.8
256	S	91.8	Very high	88.3	Confident	97 Å²	97	104.8 Å²	104.8	68%	0.678	55%	0.547	S	S	*	.	S	Bend	trans	-79.7	160.7	171.3	-61.7	0	0	0	0	112	G254 T258	G254-S256 PolarHBondContact O-N 3.09Å; S256-T258 PolarHBondContact O-N 3.03Å; S256-T258 PolarHBondContact O-OG1 3.1Å
257	Q	87.4	Confident	88.1	Confident	199 Å²	199	104.6 Å²	104.6	93%	0.93	55%	0.546	S	S	*	.			trans	-57.6	100.1	174	-68.7	-176.8	-5.3	0	0	110
258	T	83.9	Confident	88	Confident	105 Å²	105	110 Å²	110	64%	0.644	57%	0.568	S	S	*	*			trans	-106.7	102.4	-178.1	-51.3	0	0	0	0	107.9	S256	S256-T258 PolarHBondContact O-N 3.03Å; S256-T258 PolarHBondContact O-OG1 3.1Å
259	T	85.6	Confident	88.1	Confident	124 Å²	124	111.5 Å²	111.5	76%	0.761	58%	0.579	S	S	*	*			trans	-101.1	130.7	174.2	49.9	0	0	0	0	109.3
260	M	81.6	Confident	88	Confident	125 Å²	125	117.9 Å²	117.9	62%	0.616	60%	0.603	S	S	*	*			trans	-110.8	113.2	175.5	-169.4	175.6	69.8	0	0	108.3	L262 A271	M260-L262 HydrophobicContact CE-CD1 3.97Å; M260-L262 HydrophobicContact CE-CD2 3.72Å; M260-L262 HydrophobicContact CE-CG 3.97Å; M260-L262 HydrophobicContact CG-CD2 4.16Å; M260-L262 HydrophobicContact SD-CD2 4.14Å; M260-A271 HydrophobicContact CE-CB 3.82Å; M260-A271 HydrophobicContact SD-CB 3.87Å
261	E	86.5	Confident	87.8	Confident	170 Å²	170	115.8 Å²	115.8	79%	0.794	60%	0.596	S	S	*	*			trans	-93.8	116.3	173.2	-67.4	-176.2	172.5	0	0	108.5
262	L	88.8	Confident	87.8	Confident	83 Å²	83	114.9 Å²	114.9	44%	0.435	60%	0.598	S	S	.	*			trans	-98	113	178.4	-63.1	173	0	0	0	108.1	M260 D267 F268	M260-L262 HydrophobicContact CE-CD1 3.97Å; M260-L262 HydrophobicContact CE-CD2 3.72Å; M260-L262 HydrophobicContact CE-CG 3.97Å; M260-L262 HydrophobicContact CG-CD2 4.16Å; M260-L262 HydrophobicContact SD-CD2 4.14Å; L262-D267 HydrophobicContact CD2-CB 3.57Å; L262-F268 HydrophobicContact CD1-CD2 4.16Å
263	S	88.3	Confident	88	Confident	106 Å²	106	116.3 Å²	116.3	74%	0.741	61%	0.606	S	S	*	*			trans	-107.1	-40.7	179.7	-61.3	0	0	0	0	112.1	D267	S263-D267 PolarHBondContact N-OD2 3.41Å
264	D	89	Confident	88.3	Confident	104 Å²	104	111.9 Å²	111.9	56%	0.556	59%	0.59	S	S	*	*	S	Bend	trans	-99.9	149.3	179.1	-72.9	-22.6	0	0	0	111.6	K266 D267	D264-K266 PolarHBondContact O-N 2.88Å; D264-K266 VanDerWaalsContact O-N 3.08Å; D264-D267 PolarHBondContact N-OD2 3.12Å; D264-D267 WeakPolarHBondContact O-CB 3.5Å; D264-D267 PolarHBondContact O-N 2.74Å
265	D	87.1	Confident	88.5	Confident	157 Å²	157	113 Å²	113	84%	0.84	58%	0.582	S	S	*	*	H	α-helix	trans	-55.4	-29.2	173.5	-69.9	-20.6	0	0	0	112.6	D267	D265-D267 VanDerWaalsContact C-N 3.32Å; D265-D267 PolarHBondContact O-N 2.99Å
266	K	89.2	Confident	88.6	Confident	150 Å²	150	107.3 Å²	107.3	65%	0.652	56%	0.556	S	S	*	*	H	α-helix	trans	-72.2	-23.6	178.9	-65.2	-178.6	-177.7	175.6	0	113.2	D264 F268 T269 R270	D264-K266 PolarHBondContact O-N 2.88Å; D264-K266 VanDerWaalsContact O-N 3.08Å; K266-F268 VanDerWaalsContact C-N 3.26Å; K266-F268 PolarHBondContact O-N 3.38Å; K266-T269 PolarHBondContact O-N 3Å; K266-R270 WeakPolarHBondContact O-CG 3.03Å; K266-R270 PolarHBondContact O-N 3.28Å; K266-R270 VanDerWaalsContact O-N 3.1Å
267	D	89.4	Confident	88.7	Confident	34 Å²	34	105.1 Å²	105.1	18%	0.182	54%	0.54	C	S	.	.	H	α-helix	trans	-68.9	-30.8	-177.1	-64.5	-29.5	0	0	0	111.4	L262 S263 D264 D265 R270 A271	L262-D267 HydrophobicContact CD2-CB 3.57Å; S263-D267 PolarHBondContact N-OD2 3.41Å; D264-D267 PolarHBondContact N-OD2 3.12Å; D264-D267 WeakPolarHBondContact O-CB 3.5Å; D264-D267 PolarHBondContact O-N 2.74Å; D265-D267 VanDerWaalsContact C-N 3.32Å; D265-D267 PolarHBondContact O-N 2.99Å; D267-R270 PolarHBondContact O-N 3.46Å; D267-R270 IonicContact OD1-CZ 3.79Å; D267-R270 IonicContact OD1-NH1 2.76Å; D267-R270 PolarHBondContact OD1-NH1 3.2Å; D267-A271 PolarHBondContact O-N 3.43Å
268	F	87.8	Confident	88.9	Confident	125 Å²	125	98.8 Å²	98.8	55%	0.548	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-44.4	174.5	-169.8	-99.5	0	0	0	111.8	L262 K266 A271 L272	L262-F268 HydrophobicContact CD1-CD2 4.16Å; K266-F268 VanDerWaalsContact C-N 3.26Å; K266-F268 PolarHBondContact O-N 3.38Å; F268-A271 PolarHBondContact O-N 2.94Å; F268-L272 HydrophobicContact CD1-CD1 4.05Å; F268-L272 HydrophobicContact CE1-CD1 3.71Å; F268-L272 HydrophobicContact CE1-CG 4.32Å; F268-L272 HydrophobicContact CZ-CD1 4.48Å; F268-L272 PolarHBondContact O-N 2.86Å
269	T	91.4	Very high	89.4	Confident	73 Å²	73	93.8 Å²	93.8	45%	0.448	48%	0.479	S	S	.	.	H	α-helix	trans	-63	-42.5	175.7	-50.2	0	0	0	0	111.4	K266 A271 L272 E273	K266-T269 PolarHBondContact O-N 3Å; T269-A271 VanDerWaalsContact C-N 3.32Å; T269-A271 PolarHBondContact O-N 2.97Å; T269-L272 PolarHBondContact O-N 2.94Å; T269-E273 WeakPolarHBondContact O-CG 3.42Å; T269-E273 PolarHBondContact O-N 3.44Å
270	R	89.7	Confident	89.7	Confident	135 Å²	135	92.5 Å²	92.5	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-59.7	-41.3	175.5	-71	172.7	178.8	159.7	-6.8	112.3	K266 D267 L272 E273 I274	K266-R270 WeakPolarHBondContact O-CG 3.03Å; K266-R270 PolarHBondContact O-N 3.28Å; K266-R270 VanDerWaalsContact O-N 3.1Å; D267-R270 PolarHBondContact O-N 3.46Å; D267-R270 IonicContact OD1-CZ 3.79Å; D267-R270 IonicContact OD1-NH1 2.76Å; D267-R270 PolarHBondContact OD1-NH1 3.2Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 3.4Å; R270-E273 PolarHBondContact O-N 2.9Å; R270-I274 VanDerWaalsContact O-CG1 3.24Å; R270-I274 WeakPolarHBondContact O-CG1 3.33Å; R270-I274 PolarHBondContact O-N 2.61Å
271	A	88.4	Confident	90.3	Very high	21 Å²	21	92.1 Å²	92.1	17%	0.174	46%	0.46	C	S	.	.	H	α-helix	trans	-62.1	-40.5	177.9	0	0	0	0	0	112.1	M260 D267 F268 T269 I274 E275	M260-A271 HydrophobicContact CE-CB 3.82Å; M260-A271 HydrophobicContact SD-CB 3.87Å; D267-A271 PolarHBondContact O-N 3.43Å; F268-A271 PolarHBondContact O-N 2.94Å; T269-A271 VanDerWaalsContact C-N 3.32Å; T269-A271 PolarHBondContact O-N 2.97Å; A271-I274 PolarHBondContact O-N 2.91Å; A271-E275 PolarHBondContact O-N 3.34Å
272	L	89.6	Confident	90.6	Very high	78 Å²	78	84.7 Å²	84.7	41%	0.408	43%	0.425	S	S	.	.	H	α-helix	trans	-66.1	-42	174.4	-65.7	175	0	0	0	111.9	F268 T269 R270 I274 E275 E276	F268-L272 HydrophobicContact CD1-CD1 4.05Å; F268-L272 HydrophobicContact CE1-CD1 3.71Å; F268-L272 HydrophobicContact CE1-CG 4.32Å; F268-L272 HydrophobicContact CZ-CD1 4.48Å; F268-L272 PolarHBondContact O-N 2.86Å; T269-L272 PolarHBondContact O-N 2.94Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 3.4Å; L272-I274 VanDerWaalsContact C-N 3.31Å; L272-I274 PolarHBondContact O-N 3.39Å; L272-E275 PolarHBondContact O-N 2.91Å; L272-E276 WeakPolarHBondContact O-CG 3.44Å; L272-E276 PolarHBondContact O-N 3.31Å
273	E	92.1	Very high	90.8	Very high	117 Å²	117	80.8 Å²	80.8	55%	0.547	41%	0.405	S	S	.	.	H	α-helix	trans	-62.6	-37.3	175.5	-71.8	172.7	-179.9	0	0	112.1	T269 R270 E276 S277	T269-E273 WeakPolarHBondContact O-CG 3.42Å; T269-E273 PolarHBondContact O-N 3.44Å; R270-E273 PolarHBondContact O-N 2.9Å; E273-E276 PolarHBondContact O-N 3.06Å; E273-S277 VanDerWaalsContact O-CB 3.27Å; E273-S277 WeakPolarHBondContact O-CB 3.3Å; E273-S277 PolarHBondContact O-N 3.17Å; E273-S277 PolarHBondContact O-OG 3.49Å
274	I	91	Very high	91	Very high	91 Å²	91	78.9 Å²	78.9	47%	0.467	39%	0.387	S	S	.	.	H	α-helix	trans	-65.1	-43.5	174.4	-69.3	163.9	0	0	0	110.6	Y251 R270 A271 L272 S277 F278	Y251-I274 HydrophobicContact CE2-CG2 4.24Å; R270-I274 VanDerWaalsContact O-CG1 3.24Å; R270-I274 WeakPolarHBondContact O-CG1 3.33Å; R270-I274 PolarHBondContact O-N 2.61Å; A271-I274 PolarHBondContact O-N 2.91Å; L272-I274 VanDerWaalsContact C-N 3.31Å; L272-I274 PolarHBondContact O-N 3.39Å; I274-S277 VanDerWaalsContact CA-OG 3.31Å; I274-S277 WeakPolarHBondContact CA-OG 3.23Å; I274-S277 PolarHBondContact O-OG 2.88Å; I274-F278 VanDerWaalsContact O-CB 3.29Å; I274-F278 WeakPolarHBondContact O-CB 3.49Å; I274-F278 PolarHBondContact O-N 3.3Å
275	E	90.5	Very high	91.2	Very high	70 Å²	70	76 Å²	76	33%	0.327	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-47.3	176	178.6	169.3	-167.7	0	0	111.6	Y251 A271 L272 I279	Y251-E275 HydrophobicContact CD2-CB 4.22Å; Y251-E275 HydrophobicContact CD2-CG 4.17Å; Y251-E275 HydrophobicContact CG-CB 4.44Å; Y251-E275 HydrophobicContact CG-CG 4.04Å; A271-E275 PolarHBondContact O-N 3.34Å; L272-E275 PolarHBondContact O-N 2.91Å; E275-I279 HydrophobicContact CG-CD1 4.02Å; E275-I279 WeakPolarHBondContact O-CG1 3.11Å; E275-I279 PolarHBondContact O-N 3.01Å; E275-I279 VanDerWaalsContact O-N 3.11Å
276	E	92.2	Very high	91.5	Very high	90 Å²	90	68.6 Å²	68.6	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-64.5	-44	178.7	-74.3	-171.4	175.8	0	0	112.4	L272 E273 I279 K280 L303	L272-E276 WeakPolarHBondContact O-CG 3.44Å; L272-E276 PolarHBondContact O-N 3.31Å; E273-E276 PolarHBondContact O-N 3.06Å; E276-I279 PolarHBondContact O-N 3.49Å; E276-K280 WeakPolarHBondContact O-CB 3.47Å; E276-K280 PolarHBondContact O-N 3.19Å; E276-L303 HydrophobicContact CG-CD1 3.96Å
277	S	93.2	Very high	91.7	Very high	50 Å²	50	63.5 Å²	63.5	35%	0.35	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-43.5	178.9	53.5	0	0	0	0	112	E273 I274 I279 K280 E281	E273-S277 VanDerWaalsContact O-CB 3.27Å; E273-S277 WeakPolarHBondContact O-CB 3.3Å; E273-S277 PolarHBondContact O-N 3.17Å; E273-S277 PolarHBondContact O-OG 3.49Å; I274-S277 VanDerWaalsContact CA-OG 3.31Å; I274-S277 WeakPolarHBondContact CA-OG 3.23Å; I274-S277 PolarHBondContact O-OG 2.88Å; S277-I279 PolarHBondContact O-N 3.03Å; S277-K280 WeakPolarHBondContact O-CB 3.42Å; S277-K280 PolarHBondContact O-N 3.44Å; S277-E281 WeakPolarHBondContact O-CG 3.47Å; S277-E281 PolarHBondContact O-N 3.47Å
278	F	92.3	Very high	91.9	Very high	67 Å²	67	68.5 Å²	68.5	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-45.2	176.3	-177.2	-97.3	0	0	0	112.1	Y251 K252 I274 K280 E281 M282	Y251-F278 HydrophobicContact CD2-CB 3.98Å; Y251-F278 AromaticContact CD2-CD1 3.73Å; Y251-F278 HydrophobicContact CD2-CD1 3.73Å; Y251-F278 HydrophobicContact CD2-CG 4.01Å; Y251-F278 HydrophobicContact CE2-CB 4.14Å; Y251-F278 HydrophobicContact CE2-CD1 4.36Å; Y251-F278 HydrophobicContact CE2-CG 4.24Å; K252-F278 HydrophobicContact CB-CE1 4.36Å; K252-F278 HydrophobicContact CB-CZ 4.37Å; I274-F278 VanDerWaalsContact O-CB 3.29Å; I274-F278 WeakPolarHBondContact O-CB 3.49Å; I274-F278 PolarHBondContact O-N 3.3Å; F278-K280 VanDerWaalsContact C-N 3.32Å; F278-K280 PolarHBondContact O-N 3.47Å; F278-E281 PolarHBondContact O-N 2.94Å; F278-M282 HydrophobicContact CD1-CE 3.51Å; F278-M282 HydrophobicContact CD1-SD 4.24Å; F278-M282 HydrophobicContact CE1-CE 3.34Å; F278-M282 HydrophobicContact CE1-CG 4.36Å; F278-M282 HydrophobicContact CE1-SD 3.56Å; F278-M282 VanDerWaalsContact CE1-SD 3.56Å; F278-M282 HydrophobicContact CZ-CE 4.31Å; F278-M282 HydrophobicContact CZ-SD 3.98Å; F278-M282 WeakPolarHBondContact O-CG 3.31Å; F278-M282 PolarHBondContact O-N 3.46Å; F278-M282 VanDerWaalsContact O-N 3.15Å
279	I	93	Very high	92.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-39.8	176.8	-68.4	170.4	0	0	0	110.8	E275 E276 S277 M282 C283 L303 A304 Y307	E275-I279 HydrophobicContact CG-CD1 4.02Å; E275-I279 WeakPolarHBondContact O-CG1 3.11Å; E275-I279 PolarHBondContact O-N 3.01Å; E275-I279 VanDerWaalsContact O-N 3.11Å; E276-I279 PolarHBondContact O-N 3.49Å; S277-I279 PolarHBondContact O-N 3.03Å; I279-M282 HydrophobicContact CG1-CE 4.19Å; I279-M282 PolarHBondContact O-N 2.96Å; I279-C283 PolarHBondContact O-N 3.05Å; I279-C283 PolarHBondContact O-SG 3.05Å; I279-L303 HydrophobicContact CD1-CB 4.14Å; I279-L303 HydrophobicContact CD1-CD1 3.87Å; I279-L303 HydrophobicContact CG2-CB 4.08Å; I279-A304 HydrophobicContact CG2-CB 3.78Å; I279-Y307 HydrophobicContact CG2-CD2 4.38Å
280	K	93.4	Very high	92	Very high	97 Å²	97	66.1 Å²	66.1	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-45.7	177.9	-175.1	-177.7	173.8	-170.2	0	111.7	E276 S277 F278 M282 C283 D284 Y307	E276-K280 WeakPolarHBondContact O-CB 3.47Å; E276-K280 PolarHBondContact O-N 3.19Å; S277-K280 WeakPolarHBondContact O-CB 3.42Å; S277-K280 PolarHBondContact O-N 3.44Å; F278-K280 VanDerWaalsContact C-N 3.32Å; F278-K280 PolarHBondContact O-N 3.47Å; K280-M282 PolarHBondContact O-N 3.49Å; K280-C283 CarbonylContact O-C 3.58Å; K280-C283 PolarHBondContact O-N 3.28Å; K280-C283 VanDerWaalsContact O-N 3.11Å; K280-D284 WeakPolarHBondContact O-CB 3.43Å; K280-D284 VanDerWaalsContact O-CG 3.23Å; K280-D284 PolarHBondContact O-N 3.28Å; K280-Y307 HydrophobicContact CB-CE2 4.09Å; K280-Y307 HydrophobicContact CD-CE1 4.42Å; K280-Y307 HydrophobicContact CG-CE1 4.31Å
281	E	93.1	Very high	92.2	Very high	117 Å²	117	59.9 Å²	59.9	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-45.8	176.4	-75.5	176.3	-176.1	0	0	111.8	S277 F278 C283 D284 Q285	S277-E281 WeakPolarHBondContact O-CG 3.47Å; S277-E281 PolarHBondContact O-N 3.47Å; F278-E281 PolarHBondContact O-N 2.94Å; E281-C283 VanDerWaalsContact C-N 3.33Å; E281-C283 PolarHBondContact O-N 2.92Å; E281-D284 PolarHBondContact O-N 2.89Å; E281-Q285 WeakPolarHBondContact O-CG 3.3Å; E281-Q285 PolarHBondContact O-N 3.49Å
282	M	92.3	Very high	92.4	Very high	13 Å²	13	61.7 Å²	61.7	6%	0.064	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-40.5	174.4	-71.5	-170.6	-64.5	0	0	112.4	F278 I279 K280 I286 P339	F278-M282 HydrophobicContact CD1-CE 3.51Å; F278-M282 HydrophobicContact CD1-SD 4.24Å; F278-M282 HydrophobicContact CE1-CE 3.34Å; F278-M282 HydrophobicContact CE1-CG 4.36Å; F278-M282 HydrophobicContact CE1-SD 3.56Å; F278-M282 VanDerWaalsContact CE1-SD 3.56Å; F278-M282 HydrophobicContact CZ-CE 4.31Å; F278-M282 HydrophobicContact CZ-SD 3.98Å; F278-M282 WeakPolarHBondContact O-CG 3.31Å; F278-M282 PolarHBondContact O-N 3.46Å; F278-M282 VanDerWaalsContact O-N 3.15Å; I279-M282 HydrophobicContact CG1-CE 4.19Å; I279-M282 PolarHBondContact O-N 2.96Å; K280-M282 PolarHBondContact O-N 3.49Å; M282-I286 WeakPolarHBondContact O-CG1 3.48Å; M282-I286 PolarHBondContact O-N 2.93Å; M282-P339 HydrophobicContact CB-CG 4.47Å; M282-P339 HydrophobicContact CG-CG 4.22Å
283	C	93.4	Very high	92.7	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-68.6	-41	177.2	-67.1	0	0	0	0	111.4	I279 K280 E281 Q285 I286 I287 L308	I279-C283 PolarHBondContact O-N 3.05Å; I279-C283 PolarHBondContact O-SG 3.05Å; K280-C283 CarbonylContact O-C 3.58Å; K280-C283 PolarHBondContact O-N 3.28Å; K280-C283 VanDerWaalsContact O-N 3.11Å; E281-C283 VanDerWaalsContact C-N 3.33Å; E281-C283 PolarHBondContact O-N 2.92Å; C283-Q285 VanDerWaalsContact C-N 3.32Å; C283-Q285 PolarHBondContact O-N 3.35Å; C283-I286 WeakPolarHBondContact O-CB 3.41Å; C283-I286 PolarHBondContact O-N 3.42Å; C283-I286 VanDerWaalsContact O-N 3.1Å; C283-I287 HydrophobicContact CB-CD1 4.38Å; C283-I287 WeakPolarHBondContact O-CB 3.32Å; C283-I287 WeakPolarHBondContact O-CD1 3.27Å; C283-I287 WeakPolarHBondContact O-CG1 3.2Å; C283-I287 PolarHBondContact O-N 3.17Å; C283-L308 HydrophobicContact CB-CD2 4.42Å
284	D	93.7	Very high	92.9	Very high	67 Å²	67	52.4 Å²	52.4	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-39.9	179.7	-73	-18	0	0	0	110.6	K280 E281 I286 I287 Q288	K280-D284 WeakPolarHBondContact O-CB 3.43Å; K280-D284 VanDerWaalsContact O-CG 3.23Å; K280-D284 PolarHBondContact O-N 3.28Å; E281-D284 PolarHBondContact O-N 2.89Å; D284-I286 VanDerWaalsContact C-N 3.32Å; D284-I286 PolarHBondContact O-N 3.28Å; D284-I287 PolarHBondContact O-N 3.08Å; D284-Q288 VanDerWaalsContact O-CG 3.3Å; D284-Q288 WeakPolarHBondContact O-CG 3.48Å; D284-Q288 PolarHBondContact O-N 2.9Å
285	Q	92.4	Very high	93.1	Very high	44 Å²	44	48.1 Å²	48.1	21%	0.206	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-42.2	171.7	-72.2	172.2	-0.3	0	0	112.2	E281 C283 F289 P339	E281-Q285 WeakPolarHBondContact O-CG 3.3Å; E281-Q285 PolarHBondContact O-N 3.49Å; C283-Q285 VanDerWaalsContact C-N 3.32Å; C283-Q285 PolarHBondContact O-N 3.35Å; Q285-F289 WeakPolarHBondContact O-CD2 3.46Å; Q285-F289 WeakPolarHBondContact O-CE2 3.49Å; Q285-P339 HydrophobicContact CB-CB 4.32Å
286	I	93.8	Very high	93.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.2	-41.1	177.5	-65.1	165.7	0	0	0	111	L243 M245 L249 M282 C283 D284 Q288 F289 P291 L294 L308 P339 I342	L243-I286 HydrophobicContact CD2-CG2 3.97Å; M245-I286 HydrophobicContact SD-CD1 3.85Å; M245-I286 HydrophobicContact SD-CG1 4.23Å; L249-I286 HydrophobicContact CD1-CD1 4.22Å; L249-I286 HydrophobicContact CD2-CD1 3.73Å; M282-I286 WeakPolarHBondContact O-CG1 3.48Å; M282-I286 PolarHBondContact O-N 2.93Å; C283-I286 WeakPolarHBondContact O-CB 3.41Å; C283-I286 PolarHBondContact O-N 3.42Å; C283-I286 VanDerWaalsContact O-N 3.1Å; D284-I286 VanDerWaalsContact C-N 3.32Å; D284-I286 PolarHBondContact O-N 3.28Å; I286-Q288 VanDerWaalsContact C-N 3.3Å; I286-Q288 PolarHBondContact O-N 2.92Å; I286-F289 PolarHBondContact O-N 3.09Å; I286-P291 HydrophobicContact CG2-CG 3.79Å; I286-P291 WeakPolarHBondContact O-CD 3.2Å; I286-L294 HydrophobicContact CD1-CD2 4.06Å; I286-L294 HydrophobicContact CG2-CD2 4.25Å; I286-L308 HydrophobicContact CG2-CD2 4.29Å; I286-P339 HydrophobicContact CG1-CB 4.29Å; I286-I342 HydrophobicContact CG1-CD1 4Å
287	I	93.6	Very high	93.4	Very high	43 Å²	43	41.4 Å²	41.4	22%	0.221	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-34.1	-178.2	-69	162.6	0	0	0	111.2	C283 D284 F289 N290 L308 A311 I313	C283-I287 HydrophobicContact CB-CD1 4.38Å; C283-I287 WeakPolarHBondContact O-CB 3.32Å; C283-I287 WeakPolarHBondContact O-CD1 3.27Å; C283-I287 WeakPolarHBondContact O-CG1 3.2Å; C283-I287 PolarHBondContact O-N 3.17Å; D284-I287 PolarHBondContact O-N 3.08Å; I287-F289 PolarHBondContact O-N 3.03Å; I287-F289 VanDerWaalsContact O-N 3.12Å; I287-N290 PolarHBondContact O-N 3.47Å; I287-N290 PolarHBondContact O-OD1 3.27Å; I287-L308 HydrophobicContact CG1-CD2 4.32Å; I287-A311 HydrophobicContact CD1-CB 3.9Å; I287-A311 HydrophobicContact CG1-CB 3.82Å; I287-A311 HydrophobicContact CG2-CB 4.34Å; I287-I313 HydrophobicContact CG1-CD1 3.92Å
288	Q	92.9	Very high	93.5	Very high	140 Å²	140	43.9 Å²	43.9	65%	0.654	21%	0.21	S	C	*	.	H	α-helix	trans	-52.3	-35.8	177	-77.1	169.9	17.4	0	0	113.1	D284 I286 N290	D284-Q288 VanDerWaalsContact O-CG 3.3Å; D284-Q288 WeakPolarHBondContact O-CG 3.48Å; D284-Q288 PolarHBondContact O-N 2.9Å; I286-Q288 VanDerWaalsContact C-N 3.3Å; I286-Q288 PolarHBondContact O-N 2.92Å; Q288-N290 VanDerWaalsContact C-N 3.34Å; Q288-N290 PolarHBondContact O-ND2 3.43Å
289	F	91.5	Very high	93.5	Very high	41 Å²	41	40.9 Å²	40.9	18%	0.18	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.3	-179.7	-66.8	-77.6	0	0	0	114.2	R241 Q285 I286 I287 I342 E344 I347	R241-F289 PolarHBondContact NH1-O 3.05Å; R241-F289 PolarHBondContact NH2-O 3.47Å; Q285-F289 WeakPolarHBondContact O-CD2 3.46Å; Q285-F289 WeakPolarHBondContact O-CE2 3.49Å; I286-F289 PolarHBondContact O-N 3.09Å; I287-F289 PolarHBondContact O-N 3.03Å; I287-F289 VanDerWaalsContact O-N 3.12Å; F289-I342 HydrophobicContact CD1-CG2 4.01Å; F289-I342 HydrophobicContact CD2-CB 3.92Å; F289-I342 HydrophobicContact CD2-CD1 4.37Å; F289-I342 HydrophobicContact CD2-CG2 3.49Å; F289-I342 VanDerWaalsContact CD2-CG2 3.49Å; F289-I342 HydrophobicContact CE1-CG2 4.1Å; F289-I342 HydrophobicContact CE2-CB 3.58Å; F289-I342 HydrophobicContact CE2-CG2 3.6Å; F289-I342 HydrophobicContact CG-CG2 3.72Å; F289-I342 HydrophobicContact CZ-CB 3.97Å; F289-I342 HydrophobicContact CZ-CG2 3.91Å; F289-I342 WeakPolarHBondContact CZ-O 3.19Å; F289-E344 HydrophobicContact CD1-CG 4.1Å; F289-E344 HydrophobicContact CE1-CG 4.25Å; F289-I347 HydrophobicContact CB-CD1 3.87Å; F289-I347 HydrophobicContact CD1-CD1 4.42Å
290	N	90.8	Very high	93.5	Very high	107 Å²	107	41 Å²	41	57%	0.572	20%	0.198	S	C	*	.			trans	50.8	52.9	-177.2	-62.6	-68.6	0	0	0	114.8	R241 I287 Q288	R241-N290 PolarHBondContact NH1-O 3.41Å; I287-N290 PolarHBondContact O-N 3.47Å; I287-N290 PolarHBondContact O-OD1 3.27Å; Q288-N290 VanDerWaalsContact C-N 3.34Å; Q288-N290 PolarHBondContact O-ND2 3.43Å
291	P	92.9	Very high	93.6	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.019	19%	0.187	C	C	.	.			trans	-73.6	143.8	171.1	31.6	-32.4	0	0	0	110.7	L243 I286 I313	L243-P291 HydrophobicContact CB-CB 3.92Å; L243-P291 HydrophobicContact CB-CG 4.39Å; L243-P291 HydrophobicContact CD2-CG 4.3Å; I286-P291 HydrophobicContact CG2-CG 3.79Å; I286-P291 WeakPolarHBondContact O-CD 3.2Å; P291-I313 HydrophobicContact CG-CD1 4.17Å; P291-I313 VanDerWaalsContact O-CG1 3.28Å; P291-I313 WeakPolarHBondContact O-CG1 3.49Å
292	N	93.8	Very high	93.6	Very high	60 Å²	60	37.5 Å²	37.5	32%	0.321	19%	0.19	S	C	.	.	S	Bend	trans	-87.9	-29.5	175.4	-64.2	91.3	0	0	0	112.1	I237 R241 S314	I237-N292 HydrophobicContact CD1-CB 4.3Å; I237-N292 HydrophobicContact CG2-CB 4.14Å; R241-N292 WeakPolarHBondContact CB-OD1 3.37Å; R241-N292 WeakPolarHBondContact CG-OD1 3.46Å; R241-N292 PolarHBondContact N-OD1 2.88Å; R241-N292 PolarHBondContact O-N 3.34Å; N292-S314 PolarHBondContact O-N 2.93Å
293	V	95.1	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128	-179.1	-179.7	0	0	0	0	108.9	I237 P240 R241 I242 L243 I295 S314 F354	I237-V293 HydrophobicContact CD1-CG2 3.66Å; P240-V293 HydrophobicContact CB-CG2 3.79Å; R241-V293 PolarHBondContact O-N 3.09Å; I242-V293 WeakPolarHBondContact CA-O 3.26Å; I242-V293 HydrophobicContact CG1-CB 4.17Å; L243-V293 PolarHBondContact N-O 2.97Å; V293-I295 HydrophobicContact CG1-CD1 4.31Å; V293-I295 HydrophobicContact CG1-CG1 3.96Å; V293-S314 CarbonylContact C-O 3.55Å; V293-S314 VanDerWaalsContact CA-O 3.31Å; V293-S314 WeakPolarHBondContact CA-O 3.18Å; V293-F354 HydrophobicContact CG1-CD2 4.02Å; V293-F354 HydrophobicContact CG1-CE2 3.79Å; V293-F354 HydrophobicContact CG1-CZ 4.29Å; V293-F354 HydrophobicContact CG2-CB 4.22Å; V293-F354 HydrophobicContact CG2-CD1 4.04Å; V293-F354 HydrophobicContact CG2-CD2 3.97Å; V293-F354 HydrophobicContact CG2-CE1 4.39Å; V293-F354 HydrophobicContact CG2-CE2 4.3Å; V293-F354 HydrophobicContact CG2-CG 3.82Å
294	L	95.3	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125	175.4	176.9	64.1	0	0	0	109.6	L243 M245 L249 I286 T296 L308 I313 S314 V315 I316	L243-L294 HydrophobicContact CB-CD1 4.1Å; L243-L294 HydrophobicContact CD2-CD1 3.87Å; L243-L294 HydrophobicContact CG-CD1 3.98Å; M245-L294 HydrophobicContact CG-CD1 3.92Å; M245-L294 HydrophobicContact SD-CD1 3.74Å; L249-L294 HydrophobicContact CD1-CD2 3.48Å; L249-L294 VanDerWaalsContact CD1-CD2 3.48Å; I286-L294 HydrophobicContact CD1-CD2 4.06Å; I286-L294 HydrophobicContact CG2-CD2 4.25Å; L294-T296 HydrophobicContact CD1-CG2 4.43Å; L294-T296 HydrophobicContact CD2-CG2 4.49Å; L294-T296 HydrophobicContact CG-CG2 4.16Å; L294-L308 HydrophobicContact CD2-CD1 3.69Å; L294-L308 HydrophobicContact CD2-CD2 4.5Å; L294-I313 HydrophobicContact CB-CG2 3.94Å; L294-S314 PolarHBondContact N-O 3.23Å; L294-V315 HydrophobicContact CB-CG2 4.3Å; L294-V315 HydrophobicContact CD2-CG1 4.41Å; L294-V315 HydrophobicContact CD2-CG2 4.34Å; L294-V315 CarbonylContact O-C 3.27Å; L294-V315 WeakPolarHBondContact O-CA 3.39Å; L294-I316 PolarHBondContact O-N 3.48Å
295	I	95.8	Very high	93.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.1	179.6	-55.2	-177.5	0	0	0	108.5	F224 I242 L243 L244 M245 V293 I316 L319 I327 I367	F224-I295 HydrophobicContact CZ-CD1 4.42Å; I242-I295 HydrophobicContact CG2-CD1 4.04Å; I242-I295 HydrophobicContact CG2-CG1 4.43Å; L243-I295 PolarHBondContact O-N 2.83Å; L244-I295 HydrophobicContact CD2-CB 3.74Å; L244-I295 HydrophobicContact CD2-CD1 3.94Å; L244-I295 HydrophobicContact CD2-CG1 4.17Å; L244-I295 HydrophobicContact CD2-CG2 4.3Å; M245-I295 PolarHBondContact N-O 3.05Å; V293-I295 HydrophobicContact CG1-CD1 4.31Å; V293-I295 HydrophobicContact CG1-CG1 3.96Å; I295-I316 HydrophobicContact CG1-CB 4.4Å; I295-I316 HydrophobicContact CG1-CD1 4.42Å; I295-I316 HydrophobicContact CG2-CG2 4.44Å; I295-L319 HydrophobicContact CG2-CB 4.05Å; I295-L319 HydrophobicContact CG2-CD2 3.44Å; I295-L319 VanDerWaalsContact CG2-CD2 3.44Å; I295-L319 HydrophobicContact CG2-CG 4.33Å; I295-I327 HydrophobicContact CD1-CD1 3.85Å; I295-I327 HydrophobicContact CD1-CG2 4.27Å; I295-I367 HydrophobicContact CD1-CD1 3.82Å
296	T	95.2	Very high	93.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.2	179.3	67	0	0	0	0	111.7	M245 L249 L294 K298 V300 I316 R318 L319	M245-T296 HydrophobicContact CB-CG2 4.33Å; M245-T296 WeakPolarHBondContact O-CA 3.47Å; L249-T296 HydrophobicContact CD1-CG2 3.83Å; L249-T296 HydrophobicContact CG-CG2 4.17Å; L294-T296 HydrophobicContact CD1-CG2 4.43Å; L294-T296 HydrophobicContact CD2-CG2 4.49Å; L294-T296 HydrophobicContact CG-CG2 4.16Å; T296-K298 PolarHBondContact O-N 2.9Å; T296-K298 PolarHBondContact OG1-O 3.27Å; T296-V300 HydrophobicContact CG2-CG2 4.15Å; T296-V300 WeakPolarHBondContact OG1-CG2 3.21Å; T296-I316 PolarHBondContact N-O 3.17Å; T296-I316 PolarHBondContact OG1-O 3.37Å; T296-R318 PolarHBondContact O-N 3.35Å; T296-R318 VanDerWaalsContact O-N 3.13Å; T296-L319 PolarHBondContact O-N 3.46Å; T296-L319 VanDerWaalsContact O-N 3.08Å
297	E	94.5	Very high	93.6	Very high	20 Å²	20	41 Å²	41	9%	0.093	20%	0.203	C	C	.	.	S	Bend	trans	-69.8	-24.3	172.3	-64.1	-162.1	-175.6	0	0	112.2	M245 R318 L319 K321 N324	M245-E297 PolarHBondContact O-N 3.49Å; E297-R318 WeakPolarHBondContact O-CA 3.28Å; E297-L319 WeakPolarHBondContact CA-O 3.48Å; E297-K321 WeakPolarHBondContact OE2-CB 3.44Å; E297-N324 HydrophobicContact CG-CB 4.2Å; E297-N324 VanDerWaalsContact CG-ND2 3.32Å; E297-N324 WeakPolarHBondContact CG-ND2 3.36Å; E297-N324 WeakPolarHBondContact OE1-CB 3.19Å; E297-N324 PolarHBondContact OE1-ND2 3.13Å
298	K	94.1	Very high	93.7	Very high	102 Å²	102	38.9 Å²	38.9	44%	0.443	19%	0.193	S	C	.	.	S	Bend	trans	-110.6	-166	-174.3	-53.6	-62.8	179.2	-165.8	0	111.8	D246 N248 T296 R318	D246-K298 WeakPolarHBondContact O-CG 3.49Å; N248-K298 HydrophobicContact CB-CB 3.8Å; T296-K298 PolarHBondContact O-N 2.9Å; T296-K298 PolarHBondContact OG1-O 3.27Å; K298-R318 PolarHBondContact O-N 3.46Å
299	G	92.9	Very high	93.7	Very high	4 Å²	4	33 Å²	33	4%	0.041	17%	0.167	C	C	.	.			trans	-75	164.4	178.1	0	0	0	0	0	113.1	L249 E250	L249-G299 PolarHBondContact N-O 3.46Å; E250-G299 VanDerWaalsContact OE1-CA 3.27Å; E250-G299 WeakPolarHBondContact OE1-CA 3.46Å
300	V	94.2	Very high	93.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-136	120.9	176.3	179.9	0	0	0	0	106.6	L249 T296 A304 Q305 V315 R317	L249-V300 HydrophobicContact CB-CB 4.41Å; L249-V300 HydrophobicContact CB-CG1 4.11Å; L249-V300 HydrophobicContact CB-CG2 4.26Å; L249-V300 HydrophobicContact CD1-CG1 4.23Å; L249-V300 HydrophobicContact CD1-CG2 4.06Å; L249-V300 HydrophobicContact CG-CG2 4.43Å; T296-V300 HydrophobicContact CG2-CG2 4.15Å; T296-V300 WeakPolarHBondContact OG1-CG2 3.21Å; V300-A304 HydrophobicContact CG1-CB 3.9Å; V300-Q305 HydrophobicContact CG1-CG 3.82Å; V300-Q305 PolarHBondContact O-NE2 3.34Å; V300-Q305 VanDerWaalsContact O-NE2 3.16Å; V300-V315 HydrophobicContact CB-CG1 4.45Å; V300-V315 HydrophobicContact CG1-CG1 4.16Å; V300-V315 HydrophobicContact CG2-CG1 3.87Å; V300-R317 HydrophobicContact CB-CB 4.25Å; V300-R317 HydrophobicContact CG2-CB 3.75Å
301	S	93.7	Very high	93.8	Very high	26 Å²	26	34.6 Å²	34.6	18%	0.182	18%	0.176	C	C	.	.			trans	-64.2	147.7	177.9	175.5	0	0	0	0	111.2	L249 L303 A304 Q305	L249-S301 WeakPolarHBondContact O-CB 3.45Å; L249-S301 PolarHBondContact O-N 2.96Å; S301-L303 PolarHBondContact O-N 3.43Å; S301-A304 WeakPolarHBondContact O-CB 3.48Å; S301-A304 PolarHBondContact O-N 2.86Å; S301-Q305 WeakPolarHBondContact O-CG 3.41Å; S301-Q305 PolarHBondContact O-N 3.48Å
302	D	93.1	Very high	93.8	Very high	114 Å²	114	40.3 Å²	40.3	61%	0.61	21%	0.206	S	C	*	.	H	α-helix	trans	-61.9	-30.9	179.9	-61.5	-29.6	0	0	0	112.2	Q305 H306	D302-Q305 WeakPolarHBondContact O-CB 3.47Å; D302-Q305 PolarHBondContact O-N 3.26Å; D302-Q305 PolarHBondContact OD1-NE2 3.47Å; D302-H306 PolarHBondContact O-N 3.26Å
303	L	92.7	Very high	93.8	Very high	52 Å²	52	37.6 Å²	37.6	27%	0.272	19%	0.192	S	C	.	.	H	α-helix	trans	-61.8	-46.1	171.1	-71.1	173.1	0	0	0	111.5	E276 I279 S301 Q305 H306 Y307	E276-L303 HydrophobicContact CG-CD1 3.96Å; I279-L303 HydrophobicContact CD1-CB 4.14Å; I279-L303 HydrophobicContact CD1-CD1 3.87Å; I279-L303 HydrophobicContact CG2-CB 4.08Å; S301-L303 PolarHBondContact O-N 3.43Å; L303-Q305 VanDerWaalsContact C-N 3.31Å; L303-Q305 PolarHBondContact O-N 2.88Å; L303-H306 PolarHBondContact O-N 3.11Å; L303-Y307 WeakPolarHBondContact O-CD2 3.46Å; L303-Y307 PolarHBondContact O-N 3.09Å; L303-Y307 VanDerWaalsContact O-N 3.1Å
304	A	93.7	Very high	93.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-39.9	176.6	0	0	0	0	0	111.1	L249 I279 V300 S301 H306 Y307 L308	L249-A304 HydrophobicContact CB-CB 4.24Å; I279-A304 HydrophobicContact CG2-CB 3.78Å; V300-A304 HydrophobicContact CG1-CB 3.9Å; S301-A304 WeakPolarHBondContact O-CB 3.48Å; S301-A304 PolarHBondContact O-N 2.86Å; A304-H306 VanDerWaalsContact C-N 3.29Å; A304-H306 PolarHBondContact O-N 3.46Å; A304-Y307 PolarHBondContact O-N 3.39Å; A304-L308 VanDerWaalsContact O-CB 3.32Å; A304-L308 WeakPolarHBondContact O-CB 3.46Å; A304-L308 VanDerWaalsContact O-CG 3.22Å; A304-L308 WeakPolarHBondContact O-CG 3.22Å; A304-L308 PolarHBondContact O-N 3.48Å
305	Q	94	Very high	93.8	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-40.2	176	-61.1	173.1	38.5	0	0	111.7	V229 M233 V300 S301 D302 L303 S309	V229-Q305 HydrophobicContact CB-CG 4.13Å; V229-Q305 HydrophobicContact CG2-CB 4.22Å; V229-Q305 HydrophobicContact CG2-CG 3.57Å; V229-Q305 PolarHBondContact O-OE1 3.42Å; M233-Q305 HydrophobicContact CE-CB 4.33Å; M233-Q305 WeakPolarHBondContact CE-O 3.41Å; V300-Q305 HydrophobicContact CG1-CG 3.82Å; V300-Q305 PolarHBondContact O-NE2 3.34Å; V300-Q305 VanDerWaalsContact O-NE2 3.16Å; S301-Q305 WeakPolarHBondContact O-CG 3.41Å; S301-Q305 PolarHBondContact O-N 3.48Å; D302-Q305 WeakPolarHBondContact O-CB 3.47Å; D302-Q305 PolarHBondContact O-N 3.26Å; D302-Q305 PolarHBondContact OD1-NE2 3.47Å; L303-Q305 VanDerWaalsContact C-N 3.31Å; L303-Q305 PolarHBondContact O-N 2.88Å; Q305-S309 WeakPolarHBondContact O-CB 3.16Å; Q305-S309 PolarHBondContact O-N 3.38Å
306	H	93.2	Very high	93.8	Very high	85 Å²	85	37.6 Å²	37.6	39%	0.394	19%	0.192	S	C	.	.	H	α-helix	trans	-67.7	-45.2	178.2	175.9	-111.2	0	0	0	112.5	D302 L303 A304 S309 K310	D302-H306 PolarHBondContact O-N 3.26Å; L303-H306 PolarHBondContact O-N 3.11Å; A304-H306 VanDerWaalsContact C-N 3.29Å; A304-H306 PolarHBondContact O-N 3.46Å; H306-S309 PolarHBondContact O-N 3.37Å; H306-K310 WeakPolarHBondContact CE1-CE 3.46Å; H306-K310 PolarHBondContact CE1-NZ 2.87Å; H306-K310 VanDerWaalsContact NE2-CE 3.31Å; H306-K310 WeakPolarHBondContact NE2-CE 3.42Å; H306-K310 WeakPolarHBondContact O-CG 3.31Å; H306-K310 PolarHBondContact O-N 2.98Å
307	Y	93.4	Very high	93.7	Very high	51 Å²	51	42.3 Å²	42.3	20%	0.2	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-46.4	176.2	-69.8	-59.6	0	0	0	112.1	I279 K280 L303 A304 K310 A311	I279-Y307 HydrophobicContact CG2-CD2 4.38Å; K280-Y307 HydrophobicContact CB-CE2 4.09Å; K280-Y307 HydrophobicContact CD-CE1 4.42Å; K280-Y307 HydrophobicContact CG-CE1 4.31Å; L303-Y307 WeakPolarHBondContact O-CD2 3.46Å; L303-Y307 PolarHBondContact O-N 3.09Å; L303-Y307 VanDerWaalsContact O-N 3.1Å; A304-Y307 PolarHBondContact O-N 3.39Å; Y307-K310 PolarHBondContact O-N 3.11Å; Y307-A311 PolarHBondContact O-N 3.34Å
308	L	94.3	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-35.3	178.7	-65.7	170.8	0	0	0	112.2	L249 C283 I286 I287 L294 A304 K310 A311 N312 I313 V315	L249-L308 HydrophobicContact CD1-CD1 4.12Å; C283-L308 HydrophobicContact CB-CD2 4.42Å; I286-L308 HydrophobicContact CG2-CD2 4.29Å; I287-L308 HydrophobicContact CG1-CD2 4.32Å; L294-L308 HydrophobicContact CD2-CD1 3.69Å; L294-L308 HydrophobicContact CD2-CD2 4.5Å; A304-L308 VanDerWaalsContact O-CB 3.32Å; A304-L308 WeakPolarHBondContact O-CB 3.46Å; A304-L308 VanDerWaalsContact O-CG 3.22Å; A304-L308 WeakPolarHBondContact O-CG 3.22Å; A304-L308 PolarHBondContact O-N 3.48Å; L308-K310 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 2.87Å; L308-A311 CarbonylContact O-C 3.53Å; L308-A311 PolarHBondContact O-N 3.47Å; L308-N312 PolarHBondContact O-N 3.47Å; L308-I313 HydrophobicContact CB-CB 4.33Å; L308-I313 HydrophobicContact CD2-CD1 3.9Å; L308-I313 PolarHBondContact O-N 3.47Å; L308-V315 HydrophobicContact CB-CG2 3.84Å; L308-V315 HydrophobicContact CD1-CG2 3.57Å; L308-V315 HydrophobicContact CG-CG2 4.32Å
309	S	93	Very high	93.7	Very high	16 Å²	16	44.3 Å²	44.3	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-34.7	174.1	-176.5	0	0	0	0	112.2	Q305 H306 A311 N312	Q305-S309 WeakPolarHBondContact O-CB 3.16Å; Q305-S309 PolarHBondContact O-N 3.38Å; H306-S309 PolarHBondContact O-N 3.37Å; S309-A311 VanDerWaalsContact C-N 3.29Å; S309-N312 PolarHBondContact O-N 3.21Å
310	K	92.6	Very high	93.7	Very high	143 Å²	143	52.6 Å²	52.6	62%	0.622	24%	0.244	S	C	*	.	H	α-helix	trans	-66.5	-32.6	173.8	-78.1	179.7	173.7	177.5	0	112.2	H306 Y307 L308 N312	H306-K310 WeakPolarHBondContact CE1-CE 3.46Å; H306-K310 PolarHBondContact CE1-NZ 2.87Å; H306-K310 VanDerWaalsContact NE2-CE 3.31Å; H306-K310 WeakPolarHBondContact NE2-CE 3.42Å; H306-K310 WeakPolarHBondContact O-CG 3.31Å; H306-K310 PolarHBondContact O-N 2.98Å; Y307-K310 PolarHBondContact O-N 3.11Å; L308-K310 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 2.87Å; K310-N312 PolarHBondContact O-N 2.87Å
311	A	92.3	Very high	93.6	Very high	39 Å²	39	58.4 Å²	58.4	32%	0.322	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	6.7	174.5	0	0	0	0	0	113.7	I287 Y307 L308 S309 I313	I287-A311 HydrophobicContact CD1-CB 3.9Å; I287-A311 HydrophobicContact CG1-CB 3.82Å; I287-A311 HydrophobicContact CG2-CB 4.34Å; Y307-A311 PolarHBondContact O-N 3.34Å; L308-A311 CarbonylContact O-C 3.53Å; L308-A311 PolarHBondContact O-N 3.47Å; S309-A311 VanDerWaalsContact C-N 3.29Å; A311-I313 VanDerWaalsContact C-N 3.26Å; A311-I313 HydrophobicContact CB-CD1 3.97Å; A311-I313 HydrophobicContact CB-CG1 3.91Å; A311-I313 PolarHBondContact O-N 2.87Å
312	N	92.3	Very high	93.4	Very high	122 Å²	122	60.8 Å²	60.8	65%	0.652	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	32	-176.2	-64.6	-41.9	0	0	0	114.5	L308 S309 K310	L308-N312 PolarHBondContact O-N 3.47Å; S309-N312 PolarHBondContact O-N 3.21Å; K310-N312 PolarHBondContact O-N 2.87Å
313	I	95	Very high	93.3	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	26%	0.255	C	S	.	.			trans	-96.2	120.9	177.2	-49.7	-177.7	0	0	0	108.8	I287 P291 L294 L308 A311	I287-I313 HydrophobicContact CG1-CD1 3.92Å; P291-I313 HydrophobicContact CG-CD1 4.17Å; P291-I313 VanDerWaalsContact O-CG1 3.28Å; P291-I313 WeakPolarHBondContact O-CG1 3.49Å; L294-I313 HydrophobicContact CB-CG2 3.94Å; L308-I313 HydrophobicContact CB-CB 4.33Å; L308-I313 HydrophobicContact CD2-CD1 3.9Å; L308-I313 PolarHBondContact O-N 3.47Å; A311-I313 VanDerWaalsContact C-N 3.26Å; A311-I313 HydrophobicContact CB-CD1 3.97Å; A311-I313 HydrophobicContact CB-CG1 3.91Å; A311-I313 PolarHBondContact O-N 2.87Å
314	S	95.2	Very high	93.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.2	175	-71.9	0	0	0	0	110.4	S234 N292 V293 L294	S234-S314 PolarHBondContact N-OG 3.24Å; S234-S314 PolarHBondContact O-OG 3.08Å; N292-S314 PolarHBondContact O-N 2.93Å; V293-S314 CarbonylContact C-O 3.55Å; V293-S314 VanDerWaalsContact CA-O 3.31Å; V293-S314 WeakPolarHBondContact CA-O 3.18Å; L294-S314 PolarHBondContact N-O 3.23Å
315	V	95.9	Very high	93.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134	-173.3	-174.6	0	0	0	0	111.3	V229 M233 L294 V300 L308	V229-V315 HydrophobicContact CG2-CB 3.73Å; V229-V315 HydrophobicContact CG2-CG1 4.23Å; V229-V315 PolarHBondContact N-O 3.38Å; M233-V315 HydrophobicContact CE-CB 3.96Å; M233-V315 HydrophobicContact CE-CG2 3.66Å; M233-V315 HydrophobicContact SD-CB 4.08Å; M233-V315 HydrophobicContact SD-CG2 4.25Å; M233-V315 PolarHBondContact SD-N 2.59Å; M233-V315 VanDerWaalsContact SD-N 3.37Å; L294-V315 HydrophobicContact CB-CG2 4.3Å; L294-V315 HydrophobicContact CD2-CG1 4.41Å; L294-V315 HydrophobicContact CD2-CG2 4.34Å; L294-V315 CarbonylContact O-C 3.27Å; L294-V315 WeakPolarHBondContact O-CA 3.39Å; V300-V315 HydrophobicContact CB-CG1 4.45Å; V300-V315 HydrophobicContact CG1-CG1 4.16Å; V300-V315 HydrophobicContact CG2-CG1 3.87Å; L308-V315 HydrophobicContact CB-CG2 3.84Å; L308-V315 HydrophobicContact CD1-CG2 3.57Å; L308-V315 HydrophobicContact CG-CG2 4.32Å
316	I	95.1	Very high	93.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.5	171.8	-69.6	158.9	0	0	0	108.5	F224 K226 L294 I295 T296 F354 T365	F224-I316 HydrophobicContact CE2-CD1 3.75Å; F224-I316 HydrophobicContact CE2-CG1 4.47Å; F224-I316 HydrophobicContact CE2-CG2 3.8Å; F224-I316 HydrophobicContact CZ-CD1 3.71Å; F224-I316 HydrophobicContact CZ-CG2 4.42Å; K226-I316 HydrophobicContact CB-CG2 3.92Å; K226-I316 HydrophobicContact CG-CG2 4.39Å; L294-I316 PolarHBondContact O-N 3.48Å; I295-I316 HydrophobicContact CG1-CB 4.4Å; I295-I316 HydrophobicContact CG1-CD1 4.42Å; I295-I316 HydrophobicContact CG2-CG2 4.44Å; T296-I316 PolarHBondContact N-O 3.17Å; T296-I316 PolarHBondContact OG1-O 3.37Å; I316-F354 HydrophobicContact CD1-CE2 3.47Å; I316-F354 VanDerWaalsContact CD1-CE2 3.47Å; I316-F354 HydrophobicContact CD1-CZ 3.7Å; I316-T365 HydrophobicContact CD1-CG2 3.82Å
317	R	93.7	Very high	93	Very high	99 Å²	99	54.1 Å²	54.1	37%	0.374	25%	0.248	S	C	.	.			trans	-111.2	157.3	-178.5	71.5	-176.7	176.8	-177.9	-1.5	112.3	V229 V300 L319	V229-R317 HydrophobicContact CG1-CB 4.01Å; V229-R317 HydrophobicContact CG1-CG 3.6Å; V300-R317 HydrophobicContact CB-CB 4.25Å; V300-R317 HydrophobicContact CG2-CB 3.75Å; R317-L319 PolarHBondContact O-N 3.01Å
318	R	93.5	Very high	92.9	Very high	155 Å²	155	52.4 Å²	52.4	59%	0.585	24%	0.244	S	C	*	.	S	Bend	trans	58.2	45.3	172.2	-57.9	179.7	-178.3	-95.3	-2.6	112.8	T296 E297 K298	T296-R318 PolarHBondContact O-N 3.35Å; T296-R318 VanDerWaalsContact O-N 3.13Å; E297-R318 WeakPolarHBondContact O-CA 3.28Å; K298-R318 PolarHBondContact O-N 3.46Å
319	L	94.1	Very high	92.7	Very high	8 Å²	8	58 Å²	58	4%	0.042	27%	0.265	C	S	.	.			trans	-76.1	145.9	172.3	-168	67	0	0	0	110.8	F224 I295 T296 E297 R317 D323 N324 I327	F224-L319 HydrophobicContact CB-CD1 4Å; F224-L319 HydrophobicContact CD1-CD1 4.07Å; F224-L319 HydrophobicContact CD2-CD1 3.75Å; F224-L319 HydrophobicContact CE2-CD1 4.23Å; F224-L319 HydrophobicContact CG-CD1 3.65Å; I295-L319 HydrophobicContact CG2-CB 4.05Å; I295-L319 HydrophobicContact CG2-CD2 3.44Å; I295-L319 VanDerWaalsContact CG2-CD2 3.44Å; I295-L319 HydrophobicContact CG2-CG 4.33Å; T296-L319 PolarHBondContact O-N 3.46Å; T296-L319 VanDerWaalsContact O-N 3.08Å; E297-L319 WeakPolarHBondContact CA-O 3.48Å; R317-L319 PolarHBondContact O-N 3.01Å; L319-D323 HydrophobicContact CD1-CB 3.91Å; L319-D323 HydrophobicContact CD2-CB 4.07Å; L319-D323 HydrophobicContact CG-CB 3.94Å; L319-N324 HydrophobicContact CD2-CB 4.17Å; L319-I327 HydrophobicContact CD2-CD1 3.4Å; L319-I327 VanDerWaalsContact CD2-CD1 3.4Å
320	R	92.8	Very high	92.5	Very high	178 Å²	178	57.3 Å²	57.3	67%	0.672	26%	0.26	S	S	*	.			trans	-68.7	138.9	172.4	-67.1	178.9	176.1	178.2	-0.5	109.8	T322 D323 N324	R320-T322 PolarHBondContact O-N 3.4Å; R320-D323 HydrophobicContact CB-CB 4.48Å; R320-D323 WeakPolarHBondContact O-CA 3.22Å; R320-D323 WeakPolarHBondContact O-CB 3.4Å; R320-D323 PolarHBondContact O-N 3.48Å; R320-N324 PolarHBondContact O-N 3.46Å
321	K	91.9	Very high	92.2	Very high	124 Å²	124	50.5 Å²	50.5	54%	0.539	23%	0.23	S	C	.	.	H	α-helix	trans	-52.7	-39	176.2	-173.6	163.4	-172.1	160.9	0	114	E297 D323 N324 L325	E297-K321 WeakPolarHBondContact OE2-CB 3.44Å; K321-D323 VanDerWaalsContact C-N 3.32Å; K321-D323 PolarHBondContact O-N 3.36Å; K321-N324 PolarHBondContact O-N 2.97Å; K321-L325 HydrophobicContact CG-CD1 4.49Å; K321-L325 WeakPolarHBondContact O-CG 3.23Å; K321-L325 PolarHBondContact O-N 3.12Å
322	T	90.4	Very high	92	Very high	77 Å²	77	50.4 Å²	50.4	47%	0.472	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-35.1	176.9	48.3	0	0	0	0	112.8	R320 R326	R320-T322 PolarHBondContact O-N 3.4Å; T322-R326 WeakPolarHBondContact O-CG 3.5Å; T322-R326 PolarHBondContact O-N 3.3Å
323	D	91.3	Very high	92	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.032	21%	0.205	C	C	.	.	H	α-helix	trans	-75	-38.6	174.8	-69.5	-20.8	0	0	0	111	K201 L319 R320 K321 L325 R326 I327	K201-D323 WeakPolarHBondContact CD-OD1 3.38Å; K201-D323 WeakPolarHBondContact CE-OD1 3.41Å; K201-D323 IonicContact NZ-OD1 3.92Å; K201-D323 PolarHBondContact NZ-OD1 3.37Å; K201-D323 IonicContact NZ-OD2 2.59Å; K201-D323 PolarHBondContact NZ-OD2 2.98Å; L319-D323 HydrophobicContact CD1-CB 3.91Å; L319-D323 HydrophobicContact CD2-CB 4.07Å; L319-D323 HydrophobicContact CG-CB 3.94Å; R320-D323 HydrophobicContact CB-CB 4.48Å; R320-D323 WeakPolarHBondContact O-CA 3.22Å; R320-D323 WeakPolarHBondContact O-CB 3.4Å; R320-D323 PolarHBondContact O-N 3.48Å; K321-D323 VanDerWaalsContact C-N 3.32Å; K321-D323 PolarHBondContact O-N 3.36Å; D323-L325 VanDerWaalsContact C-N 3.32Å; D323-L325 PolarHBondContact O-N 2.76Å; D323-R326 WeakPolarHBondContact O-CB 3.48Å; D323-R326 PolarHBondContact O-N 2.86Å; D323-R326 VanDerWaalsContact O-N 3.08Å; D323-R326 IonicContact OD1-CZ 3.51Å; D323-R326 IonicContact OD1-NH1 3.87Å; D323-R326 PolarHBondContact OD1-NH1 3.04Å; D323-I327 VanDerWaalsContact O-CG1 3.31Å; D323-I327 WeakPolarHBondContact O-CG1 3.37Å; D323-I327 PolarHBondContact O-N 3.13Å
324	N	92.4	Very high	91.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-44.4	175.8	-159.5	23.3	0	0	0	111.7	L244 E297 L319 R320 K321 R326 I327 A328 I335	L244-N324 WeakPolarHBondContact CD2-OD1 3.41Å; E297-N324 HydrophobicContact CG-CB 4.2Å; E297-N324 VanDerWaalsContact CG-ND2 3.32Å; E297-N324 WeakPolarHBondContact CG-ND2 3.36Å; E297-N324 WeakPolarHBondContact OE1-CB 3.19Å; E297-N324 PolarHBondContact OE1-ND2 3.13Å; L319-N324 HydrophobicContact CD2-CB 4.17Å; R320-N324 PolarHBondContact O-N 3.46Å; K321-N324 PolarHBondContact O-N 2.97Å; N324-R326 VanDerWaalsContact C-N 3.31Å; N324-R326 PolarHBondContact O-N 3.35Å; N324-I327 PolarHBondContact O-N 3.48Å; N324-A328 WeakPolarHBondContact O-CB 3.06Å; N324-A328 PolarHBondContact O-N 2.77Å; N324-I335 HydrophobicContact CB-CD1 4.28Å
325	L	91.6	Very high	91.8	Very high	86 Å²	86	50 Å²	50	45%	0.45	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-35.4	174.5	-72.3	169.4	0	0	0	113.3	K321 D323 R329 I335	K321-L325 HydrophobicContact CG-CD1 4.49Å; K321-L325 WeakPolarHBondContact O-CG 3.23Å; K321-L325 PolarHBondContact O-N 3.12Å; D323-L325 VanDerWaalsContact C-N 3.32Å; D323-L325 PolarHBondContact O-N 2.76Å; L325-R329 WeakPolarHBondContact O-CG 3.33Å; L325-R329 PolarHBondContact O-N 3.04Å; L325-I335 HydrophobicContact CD2-CD1 3.77Å; L325-I335 HydrophobicContact CG-CD1 4.23Å
326	R	90.6	Very high	91.8	Very high	29 Å²	29	50.3 Å²	50.3	11%	0.109	24%	0.236	C	C	.	.	H	α-helix	trans	-70.2	-41.5	176	-69.2	168.4	-174.9	128.5	0.8	111.3	R198 V222 T322 D323 N324 A328 R329 A330 A375	R198-R326 PolarHBondContact O-NE 3.08Å; R198-R326 PolarHBondContact O-NH2 3.45Å; V222-R326 HydrophobicContact CG1-CB 4.43Å; V222-R326 HydrophobicContact CG2-CB 3.78Å; T322-R326 WeakPolarHBondContact O-CG 3.5Å; T322-R326 PolarHBondContact O-N 3.3Å; D323-R326 WeakPolarHBondContact O-CB 3.48Å; D323-R326 PolarHBondContact O-N 2.86Å; D323-R326 VanDerWaalsContact O-N 3.08Å; D323-R326 IonicContact OD1-CZ 3.51Å; D323-R326 IonicContact OD1-NH1 3.87Å; D323-R326 PolarHBondContact OD1-NH1 3.04Å; N324-R326 VanDerWaalsContact C-N 3.31Å; N324-R326 PolarHBondContact O-N 3.35Å; R326-A328 VanDerWaalsContact C-N 3.33Å; R326-R329 PolarHBondContact O-N 2.87Å; R326-A330 WeakPolarHBondContact O-CB 3.49Å; R326-A330 PolarHBondContact O-N 2.76Å; R326-A375 HydrophobicContact CB-CB 4.22Å
327	I	91.9	Very high	91.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-42.6	177.5	-61.8	168.8	0	0	0	109.9	V222 F224 I242 L244 I295 L319 D323 N324 R329 A330 C331 I367	V222-I327 HydrophobicContact CB-CG1 3.79Å; V222-I327 HydrophobicContact CG1-CG1 3.87Å; V222-I327 HydrophobicContact CG2-CG1 3.89Å; F224-I327 HydrophobicContact CD1-CD1 4.05Å; F224-I327 HydrophobicContact CE1-CD1 3.55Å; F224-I327 HydrophobicContact CE1-CG1 4.48Å; F224-I327 HydrophobicContact CZ-CD1 4.35Å; I242-I327 HydrophobicContact CG2-CG2 4.37Å; L244-I327 HydrophobicContact CD1-CB 4.27Å; L244-I327 HydrophobicContact CD1-CG2 4.12Å; L244-I327 HydrophobicContact CD2-CB 4.39Å; L244-I327 HydrophobicContact CD2-CG2 3.81Å; I295-I327 HydrophobicContact CD1-CD1 3.85Å; I295-I327 HydrophobicContact CD1-CG2 4.27Å; L319-I327 HydrophobicContact CD2-CD1 3.4Å; L319-I327 VanDerWaalsContact CD2-CD1 3.4Å; D323-I327 VanDerWaalsContact O-CG1 3.31Å; D323-I327 WeakPolarHBondContact O-CG1 3.37Å; D323-I327 PolarHBondContact O-N 3.13Å; N324-I327 PolarHBondContact O-N 3.48Å; I327-R329 VanDerWaalsContact C-N 3.3Å; I327-R329 PolarHBondContact O-N 3.15Å; I327-A330 PolarHBondContact O-N 3.38Å; I327-A330 VanDerWaalsContact O-N 3.17Å; I327-C331 WeakPolarHBondContact O-CB 3.4Å; I327-C331 PolarHBondContact O-N 3.16Å; I327-C331 PolarHBondContact O-SG 3.15Å; I327-I367 HydrophobicContact CD1-CD1 3.93Å; I327-I367 HydrophobicContact CG1-CD1 4.06Å; I327-I367 HydrophobicContact CG2-CD1 3.78Å
328	A	91.9	Very high	91.4	Very high	14 Å²	14	56.9 Å²	56.9	12%	0.116	27%	0.268	C	S	.	.	H	α-helix	trans	-53.1	-48.7	174.5	0	0	0	0	0	111.3	L244 N324 R326 G332 A333 I335	L244-A328 VanDerWaalsContact CD1-CA 3.48Å; L244-A328 HydrophobicContact CD1-CB 3.65Å; N324-A328 WeakPolarHBondContact O-CB 3.06Å; N324-A328 PolarHBondContact O-N 2.77Å; R326-A328 VanDerWaalsContact C-N 3.33Å; A328-G332 CarbonylContact O-C 3.58Å; A328-G332 VanDerWaalsContact O-CA 3.28Å; A328-G332 WeakPolarHBondContact O-CA 3.29Å; A328-G332 PolarHBondContact O-N 3.16Å; A328-A333 WeakPolarHBondContact CA-O 3.4Å; A328-A333 VanDerWaalsContact CB-O 3.26Å; A328-A333 WeakPolarHBondContact CB-O 3.38Å; A328-A333 PolarHBondContact O-N 3.26Å; A328-I335 HydrophobicContact CB-CD1 4.33Å; A328-I335 HydrophobicContact CB-CG1 4.15Å
329	R	88.5	Confident	91.2	Very high	119 Å²	119	50 Å²	50	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-68	-37	177.1	-72.3	-68	-163.7	172.4	4.7	114.1	Y199 L325 R326 I327 K374 A375	Y199-R329 HydrophobicContact CD1-CG 4.15Å; Y199-R329 HydrophobicContact CE1-CG 3.67Å; Y199-R329 PolarHBondContact OH-NE 3.11Å; Y199-R329 PolarHBondContact OH-NH2 2.94Å; L325-R329 WeakPolarHBondContact O-CG 3.33Å; L325-R329 PolarHBondContact O-N 3.04Å; R326-R329 PolarHBondContact O-N 2.87Å; I327-R329 VanDerWaalsContact C-N 3.3Å; I327-R329 PolarHBondContact O-N 3.15Å; R329-K374 HydrophobicContact CB-CB 4.33Å; R329-A375 HydrophobicContact CB-CB 4.4Å
330	A	88.8	Confident	91	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-75.3	-34.4	-178.8	0	0	0	0	0	112.9	V222 R326 I327 C370 A375	V222-A330 HydrophobicContact CG2-CB 4.16Å; R326-A330 WeakPolarHBondContact O-CB 3.49Å; R326-A330 PolarHBondContact O-N 2.76Å; I327-A330 PolarHBondContact O-N 3.38Å; I327-A330 VanDerWaalsContact O-N 3.17Å; A330-C370 WeakPolarHBondContact O-CB 3.22Å; A330-A375 HydrophobicContact CB-CB 4.48Å
331	C	88	Confident	90.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-100.1	-13.9	-175	-51.4	0	0	0	0	113.2	I242 I327 A333 G348 Q350 A351	I242-C331 HydrophobicContact CD1-CB 4.22Å; I242-C331 WeakPolarHBondContact CD1-SG 3.36Å; I327-C331 WeakPolarHBondContact O-CB 3.4Å; I327-C331 PolarHBondContact O-N 3.16Å; I327-C331 PolarHBondContact O-SG 3.15Å; C331-A333 VanDerWaalsContact C-N 3.28Å; C331-G348 WeakPolarHBondContact O-CA 3.44Å; C331-Q350 VanDerWaalsContact O-CB 3.23Å; C331-Q350 WeakPolarHBondContact O-CB 3.29Å; C331-Q350 VanDerWaalsContact O-CG 3.3Å; C331-Q350 WeakPolarHBondContact O-CG 3.41Å; C331-Q350 PolarHBondContact O-N 3.19Å; C331-A351 HydrophobicContact CB-CB 4.48Å
332	G	87.4	Confident	90.9	Very high	37 Å²	37	47.4 Å²	47.4	38%	0.381	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	16.5	-171.2	0	0	0	0	0	114	A328	A328-G332 CarbonylContact O-C 3.58Å; A328-G332 VanDerWaalsContact O-CA 3.28Å; A328-G332 WeakPolarHBondContact O-CA 3.29Å; A328-G332 PolarHBondContact O-N 3.16Å
333	A	91.8	Very high	90.9	Very high	7 Å²	7	50 Å²	50	6%	0.058	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-79.5	148.9	176.2	0	0	0	0	0	110.7	L244 A328 C331 D346	L244-A333 HydrophobicContact CD1-CB 3.79Å; L244-A333 HydrophobicContact CG-CB 3.91Å; A328-A333 WeakPolarHBondContact CA-O 3.4Å; A328-A333 VanDerWaalsContact CB-O 3.26Å; A328-A333 WeakPolarHBondContact CB-O 3.38Å; A328-A333 PolarHBondContact O-N 3.26Å; C331-A333 VanDerWaalsContact C-N 3.28Å; A333-D346 WeakPolarHBondContact CA-O 3.45Å; A333-D346 WeakPolarHBondContact CB-O 3.19Å
334	T	93.1	Very high	90.9	Very high	61 Å²	61	56.8 Å²	56.8	37%	0.374	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-95.9	151.6	166.8	66.4	0	0	0	0	108.9	D346	T334-D346 PolarHBondContact N-O 3.12Å; T334-D346 VanDerWaalsContact N-O 3.15Å; T334-D346 WeakPolarHBondContact OG1-CA 3.37Å; T334-D346 WeakPolarHBondContact OG1-CB 3.29Å; T334-D346 PolarHBondContact OG1-OD1 2.9Å
335	I	93.9	Very high	90.8	Very high	49 Å²	49	64.7 Å²	64.7	25%	0.251	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.6	177.6	-59.6	169.1	0	0	0	107.4	L244 D246 N324 L325 A328	L244-I335 HydrophobicContact CB-CG1 4.12Å; L244-I335 HydrophobicContact CD1-CG1 4.16Å; D246-I335 HydrophobicContact CB-CG2 4.44Å; N324-I335 HydrophobicContact CB-CD1 4.28Å; L325-I335 HydrophobicContact CD2-CD1 3.77Å; L325-I335 HydrophobicContact CG-CD1 4.23Å; A328-I335 HydrophobicContact CB-CD1 4.33Å; A328-I335 HydrophobicContact CB-CG1 4.15Å
336	V	94.2	Very high	90.9	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138	-179.3	-176	0	0	0	0	110.2	L244 M245 D246 R338 E341 I342 D346	L244-V336 PolarHBondContact O-N 3.27Å; M245-V336 VanDerWaalsContact CA-O 3.25Å; M245-V336 WeakPolarHBondContact CA-O 3.45Å; D246-V336 PolarHBondContact N-O 3.01Å; V336-R338 WeakPolarHBondContact CG1-O 3.3Å; V336-E341 HydrophobicContact CG1-CB 4.32Å; V336-I342 HydrophobicContact CG1-CG1 4.02Å; V336-D346 HydrophobicContact CG2-CB 3.74Å; V336-D346 WeakPolarHBondContact CG2-OD2 3.47Å
337	N	92.2	Very high	90.9	Very high	94 Å²	94	60.6 Å²	60.6	50%	0.503	29%	0.294	S	S	.	.	S	Bend	trans	-86.9	-38.1	-179.2	-70.8	-29.7	0	0	0	113	C247	C247-N337 WeakPolarHBondContact CB-O 3.24Å
338	R	89.7	Confident	90.7	Very high	142 Å²	142	60.6 Å²	60.6	54%	0.536	29%	0.294	S	S	.	.	S	Bend	trans	-122.8	139.7	-176	-65.2	-179.8	177	-170.9	-1.3	110.6	V336 E340 E341	V336-R338 WeakPolarHBondContact CG1-O 3.3Å; R338-E340 PolarHBondContact O-N 2.94Å; R338-E341 HydrophobicContact CB-CG 4.26Å; R338-E341 PolarHBondContact O-N 3.21Å; R338-E341 VanDerWaalsContact O-N 3.15Å
339	P	89.6	Confident	90.6	Very high	10 Å²	10	64.9 Å²	64.9	7%	0.065	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62.4	-27.8	179.1	25	-32.9	0	0	0	113.3	M245 M282 Q285 I286 E341 I342	M245-P339 HydrophobicContact CE-CB 3.82Å; M245-P339 HydrophobicContact CE-CG 4.47Å; M282-P339 HydrophobicContact CB-CG 4.47Å; M282-P339 HydrophobicContact CG-CG 4.22Å; Q285-P339 HydrophobicContact CB-CB 4.32Å; I286-P339 HydrophobicContact CG1-CB 4.29Å; P339-E341 VanDerWaalsContact C-N 3.28Å; P339-E341 PolarHBondContact O-N 3.08Å; P339-I342 HydrophobicContact CB-CD1 4.3Å; P339-I342 VanDerWaalsContact O-CD1 3.23Å; P339-I342 WeakPolarHBondContact O-CD1 3.46Å; P339-I342 VanDerWaalsContact O-CG1 3.23Å; P339-I342 WeakPolarHBondContact O-CG1 3.39Å
340	E	89.3	Confident	90.6	Very high	142 Å²	142	62.4 Å²	62.4	66%	0.664	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-67.5	-24.7	176.9	-66.3	168.1	-166.9	0	0	114.1	R338	R338-E340 PolarHBondContact O-N 2.94Å
341	E	90.5	Very high	90.6	Very high	105 Å²	105	62.5 Å²	62.5	49%	0.491	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-95.1	2.5	-174.3	-67.7	175	-174.6	0	0	112.8	V336 R338 P339 K343	V336-E341 HydrophobicContact CG1-CB 4.32Å; R338-E341 HydrophobicContact CB-CG 4.26Å; R338-E341 PolarHBondContact O-N 3.21Å; R338-E341 VanDerWaalsContact O-N 3.15Å; P339-E341 VanDerWaalsContact C-N 3.28Å; P339-E341 PolarHBondContact O-N 3.08Å; E341-K343 PolarHBondContact O-N 2.92Å
342	I	91.1	Very high	90.7	Very high	10 Å²	10	63.1 Å²	63.1	5%	0.051	32%	0.315	C	S	.	.			trans	-61.6	131.8	-179.2	-60.9	165.8	0	0	0	109.2	L243 M245 I286 F289 V336 P339	L243-I342 HydrophobicContact CD1-CG2 4.12Å; L243-I342 HydrophobicContact CD2-CD1 3.74Å; L243-I342 HydrophobicContact CD2-CG1 4.48Å; M245-I342 HydrophobicContact CE-CD1 4.21Å; I286-I342 HydrophobicContact CG1-CD1 4Å; F289-I342 HydrophobicContact CD1-CG2 4.01Å; F289-I342 HydrophobicContact CD2-CB 3.92Å; F289-I342 HydrophobicContact CD2-CD1 4.37Å; F289-I342 HydrophobicContact CD2-CG2 3.49Å; F289-I342 VanDerWaalsContact CD2-CG2 3.49Å; F289-I342 HydrophobicContact CE1-CG2 4.1Å; F289-I342 HydrophobicContact CE2-CB 3.58Å; F289-I342 HydrophobicContact CE2-CG2 3.6Å; F289-I342 HydrophobicContact CG-CG2 3.72Å; F289-I342 HydrophobicContact CZ-CB 3.97Å; F289-I342 HydrophobicContact CZ-CG2 3.91Å; F289-I342 WeakPolarHBondContact CZ-O 3.19Å; V336-I342 HydrophobicContact CG1-CG1 4.02Å; P339-I342 HydrophobicContact CB-CD1 4.3Å; P339-I342 VanDerWaalsContact O-CD1 3.23Å; P339-I342 WeakPolarHBondContact O-CD1 3.46Å; P339-I342 VanDerWaalsContact O-CG1 3.23Å; P339-I342 WeakPolarHBondContact O-CG1 3.39Å
343	K	91.8	Very high	91	Very high	130 Å²	130	62.1 Å²	62.1	57%	0.565	30%	0.3	S	S	*	.			trans	-115.4	159.8	169.9	-60.5	177	-175.1	175.6	0	110.2	E341 E345 D346	E341-K343 PolarHBondContact O-N 2.92Å; K343-E345 PolarHBondContact O-N 3.26Å; K343-D346 WeakPolarHBondContact CB-OD2 3.21Å; K343-D346 PolarHBondContact N-OD2 3.48Å; K343-D346 WeakPolarHBondContact O-CB 3.25Å; K343-D346 PolarHBondContact O-N 3.44Å; K343-D346 VanDerWaalsContact O-N 3.09Å
344	E	90.2	Very high	91.1	Very high	150 Å²	150	61.8 Å²	61.8	70%	0.701	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62.2	-28.7	175	-66.6	-169.1	163	0	0	112.8	F289 D346 I347	F289-E344 HydrophobicContact CD1-CG 4.1Å; F289-E344 HydrophobicContact CE1-CG 4.25Å; E344-D346 PolarHBondContact O-N 2.69Å; E344-I347 PolarHBondContact O-N 2.96Å
345	E	91.6	Very high	91.2	Very high	165 Å²	165	60.5 Å²	60.5	77%	0.771	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-66.2	-22.3	176.2	-62	178.9	-177.9	0	0	113.2	K343 I347	K343-E345 PolarHBondContact O-N 3.26Å; E345-I347 VanDerWaalsContact C-N 3.28Å; E345-I347 PolarHBondContact O-N 3.05Å
346	D	92	Very high	91.1	Very high	22 Å²	22	58.9 Å²	58.9	12%	0.118	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-78.8	-15.8	-176.2	-61.3	-32.6	0	0	0	112.4	A333 T334 V336 K343 E344 G348	A333-D346 WeakPolarHBondContact CA-O 3.45Å; A333-D346 WeakPolarHBondContact CB-O 3.19Å; T334-D346 PolarHBondContact N-O 3.12Å; T334-D346 VanDerWaalsContact N-O 3.15Å; T334-D346 WeakPolarHBondContact OG1-CA 3.37Å; T334-D346 WeakPolarHBondContact OG1-CB 3.29Å; T334-D346 PolarHBondContact OG1-OD1 2.9Å; V336-D346 HydrophobicContact CG2-CB 3.74Å; V336-D346 WeakPolarHBondContact CG2-OD2 3.47Å; K343-D346 WeakPolarHBondContact CB-OD2 3.21Å; K343-D346 PolarHBondContact N-OD2 3.48Å; K343-D346 WeakPolarHBondContact O-CB 3.25Å; K343-D346 PolarHBondContact O-N 3.44Å; K343-D346 VanDerWaalsContact O-N 3.09Å; E344-D346 PolarHBondContact O-N 2.69Å; D346-G348 PolarHBondContact O-N 3.4Å
347	I	91	Very high	91	Very high	8 Å²	8	63 Å²	63	4%	0.041	30%	0.297	C	S	.	.	S	Bend	trans	-81	120.5	-174.9	-55.8	169.5	0	0	0	110.1	R241 F289 E344 E345 I349	R241-I347 HydrophobicContact CB-CG2 3.83Å; F289-I347 HydrophobicContact CB-CD1 3.87Å; F289-I347 HydrophobicContact CD1-CD1 4.42Å; E344-I347 PolarHBondContact O-N 2.96Å; E345-I347 VanDerWaalsContact C-N 3.28Å; E345-I347 PolarHBondContact O-N 3.05Å; I347-I349 PolarHBondContact O-N 3.36Å
348	G	88.3	Confident	90.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-74.9	119	175.3	0	0	0	0	0	111.9	I242 C331 D346	I242-G348 PolarHBondContact N-O 3.42Å; I242-G348 PolarHBondContact O-N 3.2Å; C331-G348 WeakPolarHBondContact O-CA 3.44Å; D346-G348 PolarHBondContact O-N 3.4Å
349	I	90.4	Very high	90.5	Very high	104 Å²	104	57.6 Å²	57.6	53%	0.533	28%	0.282	S	S	.	.			trans	-110	-2.7	178.8	-50.9	166.3	0	0	0	111	I347 A351	I347-I349 PolarHBondContact O-N 3.36Å; I349-A351 PolarHBondContact O-N 3.32Å
350	Q	88.2	Confident	89.9	Confident	67 Å²	67	58.7 Å²	58.7	31%	0.313	30%	0.295	S	S	.	.			trans	-83.8	-11.1	-170.9	-54.9	-178.2	0.5	0	0	114.1	C331 C370 K371	C331-Q350 VanDerWaalsContact O-CB 3.23Å; C331-Q350 WeakPolarHBondContact O-CB 3.29Å; C331-Q350 VanDerWaalsContact O-CG 3.3Å; C331-Q350 WeakPolarHBondContact O-CG 3.41Å; C331-Q350 PolarHBondContact O-N 3.19Å; Q350-C370 CarbonylContact O-C 3.54Å; Q350-C370 VanDerWaalsContact O-CA 3.26Å; Q350-C370 WeakPolarHBondContact O-CA 3.46Å; Q350-K371 PolarHBondContact O-N 2.82Å
351	A	88.8	Confident	89.6	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.008	30%	0.304	C	S	.	.			trans	-77.1	136.1	177.4	0	0	0	0	0	111.3	P240 I242 C331 I349 I367	P240-A351 WeakPolarHBondContact CD-O 3.43Å; P240-A351 HydrophobicContact CG-CB 3.88Å; I242-A351 HydrophobicContact CD1-CB 3.52Å; C331-A351 HydrophobicContact CB-CB 4.48Å; I349-A351 PolarHBondContact O-N 3.32Å; A351-I367 HydrophobicContact CB-CG2 3.77Å
352	G	89.4	Confident	89.4	Confident	13 Å²	13	59.9 Å²	59.9	13%	0.134	31%	0.305	C	S	.	.			trans	-95.3	-31	-178.1	0	0	0	0	0	113.9	N239 T368 K369	N239-G352 PolarHBondContact N-O 3.47Å; G352-T368 PolarHBondContact N-O 3.09Å; G352-K369 VanDerWaalsContact CA-O 3.31Å; G352-K369 WeakPolarHBondContact CA-O 3.32Å; G352-K369 PolarHBondContact N-O 3.26Å
353	L	93.1	Very high	89.4	Confident	16 Å²	16	64 Å²	64	8%	0.084	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	124.2	-178.1	-177.5	67.8	0	0	0	111.2	R236 E238 E355 I367 T368 K369	R236-L353 HydrophobicContact CG-CD1 4.05Å; E238-L353 HydrophobicContact CG-CD1 4.2Å; L353-E355 HydrophobicContact CD2-CB 4.4Å; L353-E355 HydrophobicContact CG-CB 4.23Å; L353-I367 WeakPolarHBondContact O-CA 3.43Å; L353-T368 PolarHBondContact N-O 3.28Å; L353-T368 PolarHBondContact O-N 3.34Å; L353-K369 HydrophobicContact CB-CD 4.3Å
354	F	94.5	Very high	89.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.2	162.9	172.8	-95.9	0	0	0	108.2	R236 I237 P240 V293 I316 V356 T365 F366 I367	R236-F354 CarbonylContact C-O 3.25Å; R236-F354 VanDerWaalsContact CA-O 3.26Å; R236-F354 WeakPolarHBondContact CA-O 3.37Å; I237-F354 HydrophobicContact CB-CB 4.26Å; I237-F354 HydrophobicContact CB-CD1 4.37Å; I237-F354 HydrophobicContact CD1-CD1 4.06Å; I237-F354 HydrophobicContact CG1-CD1 4.27Å; I237-F354 PolarHBondContact N-O 3.36Å; I237-F354 PolarHBondContact O-N 3.46Å; P240-F354 HydrophobicContact CB-CB 3.99Å; P240-F354 HydrophobicContact CG-CB 3.82Å; V293-F354 HydrophobicContact CG1-CD2 4.02Å; V293-F354 HydrophobicContact CG1-CE2 3.79Å; V293-F354 HydrophobicContact CG1-CZ 4.29Å; V293-F354 HydrophobicContact CG2-CB 4.22Å; V293-F354 HydrophobicContact CG2-CD1 4.04Å; V293-F354 HydrophobicContact CG2-CD2 3.97Å; V293-F354 HydrophobicContact CG2-CE1 4.39Å; V293-F354 HydrophobicContact CG2-CE2 4.3Å; V293-F354 HydrophobicContact CG2-CG 3.82Å; I316-F354 HydrophobicContact CD1-CE2 3.47Å; I316-F354 VanDerWaalsContact CD1-CE2 3.47Å; I316-F354 HydrophobicContact CD1-CZ 3.7Å; F354-V356 HydrophobicContact CE1-CG2 4.1Å; F354-V356 HydrophobicContact CZ-CG2 3.98Å; F354-T365 HydrophobicContact CD2-CG2 3.92Å; F354-T365 HydrophobicContact CE2-CG2 3.34Å; F354-T365 HydrophobicContact CZ-CG2 3.97Å; F354-F366 WeakPolarHBondContact CA-O 3.44Å; F354-I367 HydrophobicContact CD2-CG1 4.22Å
355	E	94.5	Very high	89.6	Confident	35 Å²	35	51.1 Å²	51.1	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	131.6	-179.6	-167.8	175.7	-166.4	0	0	111.1	R235 R236 L353 K357 F366	R235-E355 CarbonylContact O-C 3.56Å; R235-E355 VanDerWaalsContact O-CA 3.32Å; R235-E355 WeakPolarHBondContact O-CA 3.36Å; R236-E355 HydrophobicContact CG-CG 4.45Å; L353-E355 HydrophobicContact CD2-CB 4.4Å; L353-E355 HydrophobicContact CG-CB 4.23Å; E355-K357 HydrophobicContact CG-CG 4.1Å; E355-K357 WeakPolarHBondContact OE1-CE 3.19Å; E355-K357 IonicContact OE1-NZ 2.63Å; E355-K357 WeakPolarHBondContact OE2-CE 3.43Å; E355-K357 IonicContact OE2-NZ 3.93Å; E355-K357 PolarHBondContact OE2-NZ 3.14Å; E355-F366 PolarHBondContact N-O 3.04Å; E355-F366 WeakPolarHBondContact O-CB 3.38Å; E355-F366 PolarHBondContact O-N 3.34Å
356	V	93.7	Very high	89.7	Confident	14 Å²	14	44 Å²	44	9%	0.085	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.9	171.9	-176	0	0	0	0	108.8	D227 V228 R235 F354 Y363 F364 T365	D227-V356 WeakPolarHBondContact OD1-CG1 3.45Å; V228-V356 HydrophobicContact CG2-CG2 3.91Å; R235-V356 HydrophobicContact CB-CB 4.26Å; R235-V356 HydrophobicContact CG-CB 4.31Å; R235-V356 PolarHBondContact O-N 3Å; F354-V356 HydrophobicContact CE1-CG2 4.1Å; F354-V356 HydrophobicContact CZ-CG2 3.98Å; V356-Y363 HydrophobicContact CG1-CD1 4.26Å; V356-F364 CarbonylContact C-O 3.53Å; V356-F364 WeakPolarHBondContact CA-O 3.05Å; V356-T365 HydrophobicContact CG2-CG2 4.33Å; V356-T365 WeakPolarHBondContact CG2-OG1 3.45Å
357	K	91	Very high	89.7	Confident	94 Å²	94	43 Å²	43	41%	0.409	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.5	175.6	-62.4	-174.6	-178.8	164.6	0	111	E355 F364 F366	E355-K357 HydrophobicContact CG-CG 4.1Å; E355-K357 WeakPolarHBondContact OE1-CE 3.19Å; E355-K357 IonicContact OE1-NZ 2.63Å; E355-K357 WeakPolarHBondContact OE2-CE 3.43Å; E355-K357 IonicContact OE2-NZ 3.93Å; E355-K357 PolarHBondContact OE2-NZ 3.14Å; K357-F364 PolarHBondContact N-O 3.42Å; K357-F364 PolarHBondContact O-N 3.06Å; K357-F364 VanDerWaalsContact O-O 3.11Å; K357-F366 HydrophobicContact CB-CD2 4.29Å; K357-F366 HydrophobicContact CB-CE2 3.87Å; K357-F366 HydrophobicContact CD-CE2 4.48Å; K357-F366 HydrophobicContact CG-CD2 4.32Å; K357-F366 HydrophobicContact CG-CE2 4.3Å
358	T	87.4	Confident	89.7	Confident	82 Å²	82	43.4 Å²	43.4	50%	0.503	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.7	162.2	47.4	0	0	0	0	108.8	E362 Y363	T358-E362 WeakPolarHBondContact CA-O 3.21Å; T358-Y363 HydrophobicContact CG2-CD1 3.33Å; T358-Y363 HydrophobicContact CG2-CE1 3.11Å; T358-Y363 HydrophobicContact CG2-CE2 4.39Å; T358-Y363 HydrophobicContact CG2-CG 4.08Å
359	I	83.3	Confident	89.7	Confident	42 Å²	42	49.8 Å²	49.8	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	100.4	162.1	-59.2	177.2	0	0	0	105.2	V205 I208 M223 D361 E362 F364 F366	V205-I359 HydrophobicContact CG1-CG2 3.71Å; I208-I359 HydrophobicContact CD1-CG2 3.91Å; I208-I359 WeakPolarHBondContact CD1-O 3.39Å; M223-I359 HydrophobicContact CE-CD1 3.99Å; I359-D361 PolarHBondContact O-N 3.36Å; I359-E362 PolarHBondContact N-O 2.98Å; I359-E362 PolarHBondContact O-N 3.05Å; I359-F364 HydrophobicContact CB-CD2 3.77Å; I359-F364 HydrophobicContact CB-CE2 3.91Å; I359-F364 HydrophobicContact CD1-CD2 4.19Å; I359-F364 HydrophobicContact CG1-CD2 4.05Å; I359-F366 HydrophobicContact CD1-CE2 4.39Å; I359-F366 HydrophobicContact CD1-CZ 3.66Å
360	G	78.6	Confident	89.5	Confident	33 Å²	33	45.2 Å²	45.2	34%	0.34	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-121.8	-169.7	0	0	0	0	0	113.2	I208	I208-G360 VanDerWaalsContact CG1-CA 3.5Å
361	D	82.8	Confident	89.2	Confident	161 Å²	161	49.5 Å²	49.5	86%	0.861	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-4.1	-174.7	-57.1	-25.7	0	0	0	113	I359	I359-D361 PolarHBondContact O-N 3.36Å
362	E	86.7	Confident	88.9	Confident	110 Å²	110	54.1 Å²	54.1	51%	0.514	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.1	-178.3	-68	-174	-173.6	0	0	112.2	T358 I359 F364	T358-E362 WeakPolarHBondContact CA-O 3.21Å; I359-E362 PolarHBondContact N-O 2.98Å; I359-E362 PolarHBondContact O-N 3.05Å; E362-F364 HydrophobicContact CB-CD2 4.41Å; E362-F364 HydrophobicContact CB-CE2 3.71Å; E362-F364 HydrophobicContact CB-CZ 4.15Å
363	Y	90.6	Very high	88.5	Confident	97 Å²	97	54.8 Å²	54.8	38%	0.38	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.1	172.8	-69.3	-84	0	0	0	110.7	N225 D227 V356 T358	N225-Y363 CarbonylContact C-O 3.55Å; D227-Y363 HydrophobicContact CB-CD2 4.37Å; D227-Y363 HydrophobicContact CB-CG 4.03Å; V356-Y363 HydrophobicContact CG1-CD1 4.26Å; T358-Y363 HydrophobicContact CG2-CD1 3.33Å; T358-Y363 HydrophobicContact CG2-CE1 3.11Å; T358-Y363 HydrophobicContact CG2-CE2 4.39Å; T358-Y363 HydrophobicContact CG2-CG 4.08Å
364	F	92.2	Very high	88.1	Confident	9 Å²	9	57.7 Å²	57.7	4%	0.039	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.1	174.9	-67.7	-84.9	0	0	0	110.1	V205 M223 F224 N225 V356 K357 I359 E362 F366	V205-F364 HydrophobicContact CG2-CE1 4.31Å; V205-F364 HydrophobicContact CG2-CE2 4.45Å; V205-F364 HydrophobicContact CG2-CZ 4Å; M223-F364 HydrophobicContact CE-CB 3.83Å; M223-F364 HydrophobicContact CE-CD1 3.16Å; M223-F364 HydrophobicContact CE-CD2 4.06Å; M223-F364 HydrophobicContact CE-CE1 3.61Å; M223-F364 HydrophobicContact CE-CE2 4.43Å; M223-F364 HydrophobicContact CE-CG 3.41Å; M223-F364 VanDerWaalsContact CE-CG 3.41Å; M223-F364 HydrophobicContact CE-CZ 4.23Å; M223-F364 HydrophobicContact CG-CB 4.48Å; M223-F364 HydrophobicContact CG-CD1 4.29Å; F224-F364 WeakPolarHBondContact O-CA 3.41Å; N225-F364 HydrophobicContact CB-CD1 3.94Å; N225-F364 HydrophobicContact CB-CE1 3.71Å; V356-F364 CarbonylContact C-O 3.53Å; V356-F364 WeakPolarHBondContact CA-O 3.05Å; K357-F364 PolarHBondContact N-O 3.42Å; K357-F364 PolarHBondContact O-N 3.06Å; K357-F364 VanDerWaalsContact O-O 3.11Å; I359-F364 HydrophobicContact CB-CD2 3.77Å; I359-F364 HydrophobicContact CB-CE2 3.91Å; I359-F364 HydrophobicContact CD1-CD2 4.19Å; I359-F364 HydrophobicContact CG1-CD2 4.05Å; E362-F364 HydrophobicContact CB-CD2 4.41Å; E362-F364 HydrophobicContact CB-CE2 3.71Å; E362-F364 HydrophobicContact CB-CZ 4.15Å; F364-F366 HydrophobicContact CB-CD2 4.46Å; F364-F366 HydrophobicContact CB-CE2 3.59Å; F364-F366 HydrophobicContact CB-CZ 3.88Å
365	T	93.8	Very high	87.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.2	169.8	-66.2	0	0	0	0	109.3	M223 F224 K226 I316 F354 V356	M223-T365 WeakPolarHBondContact CA-O 3.4Å; F224-T365 HydrophobicContact CE1-CG2 4.14Å; F224-T365 HydrophobicContact CE2-CG2 3.73Å; F224-T365 HydrophobicContact CZ-CG2 3.42Å; F224-T365 VanDerWaalsContact CZ-CG2 3.42Å; F224-T365 PolarHBondContact N-O 3.49Å; F224-T365 VanDerWaalsContact N-O 3.13Å; F224-T365 PolarHBondContact O-N 2.97Å; K226-T365 PolarHBondContact O-OG1 2.97Å; I316-T365 HydrophobicContact CD1-CG2 3.82Å; F354-T365 HydrophobicContact CD2-CG2 3.92Å; F354-T365 HydrophobicContact CE2-CG2 3.34Å; F354-T365 HydrophobicContact CZ-CG2 3.97Å; V356-T365 HydrophobicContact CG2-CG2 4.33Å; V356-T365 WeakPolarHBondContact CG2-OG1 3.45Å
366	F	93.5	Very high	87.6	Confident	17 Å²	17	56 Å²	56	8%	0.075	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125	178	-63.8	-91.3	0	0	0	109.1	L219 M223 F354 E355 K357 I359 F364 T368	L219-F366 HydrophobicContact CD1-CD1 3.81Å; L219-F366 HydrophobicContact CD1-CE1 3.79Å; M223-F366 HydrophobicContact CB-CD1 4.25Å; M223-F366 HydrophobicContact CB-CE1 4.24Å; M223-F366 HydrophobicContact CE-CE1 4.08Å; M223-F366 HydrophobicContact CE-CZ 3.79Å; M223-F366 HydrophobicContact CG-CD1 4.13Å; M223-F366 HydrophobicContact CG-CE1 3.71Å; M223-F366 HydrophobicContact CG-CZ 4.06Å; M223-F366 HydrophobicContact SD-CD1 4.36Å; M223-F366 HydrophobicContact SD-CE1 3.46Å; M223-F366 WeakPolarHBondContact SD-CE1 3.39Å; M223-F366 HydrophobicContact SD-CZ 3.82Å; F354-F366 WeakPolarHBondContact CA-O 3.44Å; E355-F366 PolarHBondContact N-O 3.04Å; E355-F366 WeakPolarHBondContact O-CB 3.38Å; E355-F366 PolarHBondContact O-N 3.34Å; K357-F366 HydrophobicContact CB-CD2 4.29Å; K357-F366 HydrophobicContact CB-CE2 3.87Å; K357-F366 HydrophobicContact CD-CE2 4.48Å; K357-F366 HydrophobicContact CG-CD2 4.32Å; K357-F366 HydrophobicContact CG-CE2 4.3Å; I359-F366 HydrophobicContact CD1-CE2 4.39Å; I359-F366 HydrophobicContact CD1-CZ 3.66Å; F364-F366 HydrophobicContact CB-CD2 4.46Å; F364-F366 HydrophobicContact CB-CE2 3.59Å; F364-F366 HydrophobicContact CB-CZ 3.88Å; F366-T368 HydrophobicContact CB-CG2 4.12Å
367	I	92.6	Very high	87.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	105	164.9	-59.9	172.3	0	0	0	105.5	G221 V222 F224 I242 I295 I327 A351 L353 F354	G221-I367 CarbonylContact C-O 3.54Å; G221-I367 VanDerWaalsContact CA-O 3.26Å; G221-I367 WeakPolarHBondContact CA-O 3.28Å; V222-I367 PolarHBondContact N-O 3.12Å; V222-I367 PolarHBondContact O-N 3.38Å; F224-I367 HydrophobicContact CE1-CD1 3.91Å; F224-I367 HydrophobicContact CE1-CG1 4.43Å; F224-I367 HydrophobicContact CZ-CD1 4.35Å; I242-I367 HydrophobicContact CD1-CD1 4.27Å; I242-I367 HydrophobicContact CD1-CG2 3.92Å; I295-I367 HydrophobicContact CD1-CD1 3.82Å; I327-I367 HydrophobicContact CD1-CD1 3.93Å; I327-I367 HydrophobicContact CG1-CD1 4.06Å; I327-I367 HydrophobicContact CG2-CD1 3.78Å; A351-I367 HydrophobicContact CB-CG2 3.77Å; L353-I367 WeakPolarHBondContact O-CA 3.43Å; F354-I367 HydrophobicContact CD2-CG1 4.22Å
368	T	90	Very high	87.5	Confident	16 Å²	16	50.9 Å²	50.9	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	174.8	-170.2	54.2	0	0	0	0	111.3	L219 G352 L353 F366 C370	L219-T368 HydrophobicContact CB-CG2 4.48Å; L219-T368 HydrophobicContact CD2-CG2 4.45Å; G352-T368 PolarHBondContact N-O 3.09Å; L353-T368 PolarHBondContact N-O 3.28Å; L353-T368 PolarHBondContact O-N 3.34Å; F366-T368 HydrophobicContact CB-CG2 4.12Å; T368-C370 VanDerWaalsContact C-N 3.29Å; T368-C370 PolarHBondContact O-N 3.43Å
369	K	88.3	Confident	87.7	Confident	134 Å²	134	47.5 Å²	47.5	58%	0.583	23%	0.234	S	C	*	.			trans	59.4	39.2	-178	-58.6	-178.2	178	179.8	0	112.5	D220 G352 L353	D220-K369 PolarHBondContact OD1-N 3.42Å; D220-K369 VanDerWaalsContact OD2-CA 3.23Å; D220-K369 WeakPolarHBondContact OD2-CA 3.44Å; D220-K369 PolarHBondContact OD2-N 3.08Å; G352-K369 VanDerWaalsContact CA-O 3.31Å; G352-K369 WeakPolarHBondContact CA-O 3.32Å; G352-K369 PolarHBondContact N-O 3.26Å; L353-K369 HydrophobicContact CB-CD 4.3Å
370	C	85.7	Confident	87.9	Confident	9 Å²	9	45.7 Å²	45.7	6%	0.061	23%	0.225	C	C	.	.			trans	-70.2	138.2	176.5	-65.4	0	0	0	0	110.1	D220 A330 Q350 T368 P373	D220-C370 WeakPolarHBondContact O-CB 3.44Å; D220-C370 PolarHBondContact O-N 3.3Å; A330-C370 WeakPolarHBondContact O-CB 3.22Å; Q350-C370 CarbonylContact O-C 3.54Å; Q350-C370 VanDerWaalsContact O-CA 3.26Å; Q350-C370 WeakPolarHBondContact O-CA 3.46Å; T368-C370 VanDerWaalsContact C-N 3.29Å; T368-C370 PolarHBondContact O-N 3.43Å; C370-P373 HydrophobicContact CB-CB 4.07Å; C370-P373 WeakPolarHBondContact O-CD 3.47Å
371	K	82	Confident	88.2	Confident	156 Å²	156	47.6 Å²	47.6	68%	0.678	22%	0.222	S	C	*	.	S	Bend	trans	-65	-41.2	-178	-67.9	179.4	-179.5	174	0	112.8	Q350	Q350-K371 PolarHBondContact O-N 2.82Å
372	I	84.1	Confident	88.2	Confident	99 Å²	99	40 Å²	40	51%	0.508	18%	0.181	S	C	.	.	S	Bend	trans	-134.5	74.4	179.5	-51.8	174.2	0	0	0	107.4	K374	I372-K374 PolarHBondContact O-N 3.27Å; I372-K374 VanDerWaalsContact O-N 3.12Å
373	P	79.2	Confident	87.9	Confident	27 Å²	27	38 Å²	38	18%	0.175	18%	0.183	C	C	.	.			trans	-68.1	116.3	179.4	27.4	-27.7	0	0	0	107.7	I183 D220 C370 A375	I183-P373 HydrophobicContact CG2-CB 3.72Å; I183-P373 HydrophobicContact CG2-CG 3.86Å; I183-P373 WeakPolarHBondContact CG2-O 3.37Å; D220-P373 HydrophobicContact CB-CG 4.34Å; C370-P373 HydrophobicContact CB-CB 4.07Å; C370-P373 WeakPolarHBondContact O-CD 3.47Å; P373-A375 VanDerWaalsContact C-N 3.35Å
374	K	84.7	Confident	87.4	Confident	76 Å²	76	35.5 Å²	35.5	33%	0.33	18%	0.18	S	C	.	.	S	Bend	trans	-96.1	3	167.2	-64.8	-177.4	176.8	-176.9	0	112.2	V186 R329 I372	V186-K374 HydrophobicContact CG2-CB 4.22Å; V186-K374 HydrophobicContact CG2-CD 3.91Å; V186-K374 HydrophobicContact CG2-CG 4Å; R329-K374 HydrophobicContact CB-CB 4.33Å; I372-K374 PolarHBondContact O-N 3.27Å; I372-K374 VanDerWaalsContact O-N 3.12Å
375	A	88.3	Confident	86.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.			trans	-144.1	144.1	178.3	0	0	0	0	0	108.7	Y199 R326 R329 A330 P373	Y199-A375 HydrophobicContact CD1-CB 4.5Å; Y199-A375 WeakPolarHBondContact O-CA 3.39Å; R326-A375 HydrophobicContact CB-CB 4.22Å; R329-A375 HydrophobicContact CB-CB 4.4Å; A330-A375 HydrophobicContact CB-CB 4.48Å; P373-A375 VanDerWaalsContact C-N 3.35Å
376	C	90.6	Very high	86.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.7	-180	63.5	0	0	0	0	110.7	I183 Y199 K201 V218 L219 G221	I183-C376 HydrophobicContact CB-CB 4.28Å; I183-C376 HydrophobicContact CD1-CB 4.2Å; I183-C376 HydrophobicContact CG2-CB 3.79Å; Y199-C376 PolarHBondContact O-N 2.81Å; K201-C376 PolarHBondContact N-O 3.34Å; V218-C376 HydrophobicContact CG1-CB 4.16Å; L219-C376 WeakPolarHBondContact O-CA 3.29Å; L219-C376 WeakPolarHBondContact O-CB 3.48Å; G221-C376 CarbonylContact O-C 3.4Å; G221-C376 VanDerWaalsContact O-C 3.27Å; G221-C376 WeakPolarHBondContact O-CA 3.2Å
377	T	91.6	Very high	85.7	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.2	169.7	-55.8	0	0	0	0	109.4	K201 E203 L219 G221 V222 M223	K201-T377 HydrophobicContact CB-CG2 4.25Å; K201-T377 HydrophobicContact CD-CG2 4.36Å; K201-T377 HydrophobicContact CG-CG2 4.43Å; K201-T377 CarbonylContact O-C 3.59Å; K201-T377 VanDerWaalsContact O-CA 3.29Å; K201-T377 WeakPolarHBondContact O-CA 3.39Å; E203-T377 HydrophobicContact CB-CG2 3.77Å; E203-T377 HydrophobicContact CG-CG2 3.6Å; L219-T377 WeakPolarHBondContact CB-O 3.29Å; L219-T377 PolarHBondContact N-O 3.08Å; L219-T377 PolarHBondContact O-N 3.45Å; L219-T377 VanDerWaalsContact O-N 3.17Å; G221-T377 PolarHBondContact O-N 2.9Å; G221-T377 PolarHBondContact O-OG1 2.99Å; V222-T377 VanDerWaalsContact CA-OG1 3.3Å; V222-T377 WeakPolarHBondContact CA-OG1 3.36Å; M223-T377 HydrophobicContact CB-CG2 3.81Å; M223-T377 PolarHBondContact N-OG1 3.2Å
378	I	91.7	Very high	85.3	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.7	174	-53	176.9	0	0	0	107.1	I176 A180 K201 V202 E203 V218 L380 L395 M399	I176-I378 HydrophobicContact CG2-CD1 4.24Å; I176-I378 HydrophobicContact CG2-CG1 4.45Å; I176-I378 HydrophobicContact CG2-CG2 3.54Å; A180-I378 HydrophobicContact CB-CD1 3.68Å; A180-I378 HydrophobicContact CB-CG1 4.1Å; K201-I378 PolarHBondContact O-N 2.82Å; V202-I378 HydrophobicContact CG2-CD1 4.49Å; E203-I378 PolarHBondContact N-O 3.3Å; V218-I378 HydrophobicContact CG2-CG1 4.41Å; I378-L380 HydrophobicContact CG2-CD2 4.04Å; I378-L380 HydrophobicContact CG2-CG 4.2Å; I378-L380 PolarHBondContact O-N 2.81Å; I378-L395 HydrophobicContact CD1-CD2 3.96Å; I378-L395 HydrophobicContact CG2-CD2 3.76Å; I378-M399 HydrophobicContact CD1-CE 4.05Å; I378-M399 HydrophobicContact CD1-SD 3.4Å; I378-M399 WeakPolarHBondContact CD1-SD 3.31Å
379	L	90.5	Very high	85.1	Confident	11 Å²	11	49.2 Å²	49.2	6%	0.058	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107	174.3	174.3	58.5	0	0	0	108.7	V205 S216 V217 L219 M223 R381	V205-L379 HydrophobicContact CB-CD1 3.79Å; V205-L379 HydrophobicContact CG2-CD1 3.28Å; S216-L379 CarbonylContact C-O 3.58Å; S216-L379 WeakPolarHBondContact CA-O 3.37Å; S216-L379 VanDerWaalsContact CB-O 3.26Å; S216-L379 WeakPolarHBondContact CB-O 3.26Å; V217-L379 HydrophobicContact CG2-CB 4.06Å; V217-L379 HydrophobicContact CG2-CD2 4.08Å; V217-L379 HydrophobicContact CG2-CG 4.49Å; V217-L379 PolarHBondContact N-O 2.89Å; V217-L379 PolarHBondContact O-N 2.88Å; L219-L379 HydrophobicContact CD1-CB 4.45Å; M223-L379 HydrophobicContact CE-CD1 4.02Å; M223-L379 HydrophobicContact SD-CD1 4Å; L379-R381 HydrophobicContact CG-CG 4.45Å
380	L	88.6	Confident	84.8	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125	173.3	-68.1	-177.5	0	0	0	110.5	V202 E203 V205 I378 L388 V391 E392 L395	V202-L380 HydrophobicContact CG1-CD1 3.49Å; V202-L380 VanDerWaalsContact CG1-CD1 3.49Å; V202-L380 HydrophobicContact CG1-CG 3.94Å; E203-L380 PolarHBondContact O-N 3.04Å; V205-L380 PolarHBondContact N-O 2.83Å; I378-L380 HydrophobicContact CG2-CD2 4.04Å; I378-L380 HydrophobicContact CG2-CG 4.2Å; I378-L380 PolarHBondContact O-N 2.81Å; L380-L388 HydrophobicContact CB-CD2 4.02Å; L380-V391 HydrophobicContact CD1-CG1 4.19Å; L380-V391 HydrophobicContact CD2-CG1 4.15Å; L380-E392 HydrophobicContact CD1-CB 3.98Å; L380-L395 HydrophobicContact CD1-CD2 4.38Å; L380-L395 HydrophobicContact CD2-CD2 4.06Å
381	R	85.2	Confident	84.8	Confident	74 Å²	74	43.3 Å²	43.3	28%	0.279	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.7	171.4	-66.9	-162.1	-88.3	158.7	0.4	109.2	S212 V213 D215 S216 L379	S212-R381 CarbonylContact O-C 3.58Å; S212-R381 VanDerWaalsContact O-CB 3.29Å; S212-R381 WeakPolarHBondContact O-CB 3.26Å; V213-R381 WeakPolarHBondContact CA-O 3.39Å; D215-R381 VanDerWaalsContact CA-NH2 3.33Å; D215-R381 HydrophobicContact CB-CB 4.29Å; D215-R381 PolarHBondContact O-NE 3.21Å; D215-R381 PolarHBondContact O-NH2 3.15Å; D215-R381 IonicContact OD1-CZ 2.99Å; D215-R381 IonicContact OD1-NH1 3.72Å; D215-R381 IonicContact OD1-NH2 2.58Å; D215-R381 PolarHBondContact OD1-NH2 3.06Å; D215-R381 IonicContact OD2-CZ 2.71Å; D215-R381 IonicContact OD2-NH1 3.67Å; D215-R381 PolarHBondContact OD2-NH1 3.2Å; D215-R381 IonicContact OD2-NH2 3.02Å; S216-R381 PolarHBondContact OG-N 2.76Å; S216-R381 PolarHBondContact OG-O 3.47Å; L379-R381 HydrophobicContact CG-CG 4.45Å
382	G	82	Confident	85.1	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	157.2	-173.9	0	0	0	0	0	112.5	K207	K207-G382 WeakPolarHBondContact CB-O 3.19Å
383	A	81.1	Confident	85.1	Confident	67 Å²	67	36.2 Å²	36.2	55%	0.554	19%	0.189	S	C	*	.	S	Bend	trans	-70.4	-44.7	-168.4	0	0	0	0	0	114.6	K207	K207-A383 HydrophobicContact CD-CB 4.17Å
384	S	80.1	Confident	85.4	Confident	45 Å²	45	35 Å²	35	32%	0.315	18%	0.181	S	C	.	.	S	Bend	trans	-124.6	159.2	179.3	67.5	0	0	0	0	110.4	D386 V387 L388	S384-D386 PolarHBondContact O-N 3.06Å; S384-V387 PolarHBondContact O-N 2.98Å; S384-V387 VanDerWaalsContact OG-CG2 3.25Å; S384-V387 WeakPolarHBondContact OG-CG2 3.37Å; S384-V387 PolarHBondContact OG-N 3.45Å; S384-L388 WeakPolarHBondContact O-CG 3.42Å; S384-L388 PolarHBondContact O-N 3.19Å
385	K	80.9	Confident	85.6	Confident	122 Å²	122	31.5 Å²	31.5	53%	0.53	17%	0.166	S	C	.	.	H	α-helix	trans	-61.9	-36.7	175.1	-69.1	-176	177.4	-176.9	0	111.3	L388 N389	K385-L388 WeakPolarHBondContact O-CB 3.41Å; K385-L388 PolarHBondContact O-N 3.2Å; K385-N389 WeakPolarHBondContact O-CB 3.38Å; K385-N389 PolarHBondContact O-N 3.12Å; K385-N389 PolarHBondContact O-ND2 3.15Å; K385-N389 PolarHBondContact O-OD1 3.38Å
386	D	80.4	Confident	85.6	Confident	96 Å²	96	35.2 Å²	35.2	51%	0.513	18%	0.183	S	C	.	.	H	α-helix	trans	-67.5	-43.4	-177.9	-47.3	-44	0	0	0	111.3	S384 L388 N389 E390	S384-D386 PolarHBondContact O-N 3.06Å; D386-L388 VanDerWaalsContact C-N 3.34Å; D386-L388 PolarHBondContact O-N 3.1Å; D386-N389 PolarHBondContact O-N 3.09Å; D386-E390 PolarHBondContact O-N 3.47Å
387	V	82.6	Confident	85.4	Confident	45 Å²	45	35.6 Å²	35.6	27%	0.273	19%	0.185	S	C	.	.	H	α-helix	trans	-64.1	-41.3	173.5	174.6	0	0	0	0	110.5	S384 N389 E390 V391	S384-V387 PolarHBondContact O-N 2.98Å; S384-V387 VanDerWaalsContact OG-CG2 3.25Å; S384-V387 WeakPolarHBondContact OG-CG2 3.37Å; S384-V387 PolarHBondContact OG-N 3.45Å; V387-N389 VanDerWaalsContact C-N 3.34Å; V387-N389 PolarHBondContact O-N 3.26Å; V387-E390 PolarHBondContact O-N 3.43Å; V387-V391 HydrophobicContact CG1-CG2 4.12Å; V387-V391 WeakPolarHBondContact O-CB 3.49Å; V387-V391 WeakPolarHBondContact O-CG2 2.92Å; V387-V391 PolarHBondContact O-N 3.18Å
388	L	84.9	Confident	85.3	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-37.9	176.4	-79.6	172.8	0	0	0	113	L380 S384 K385 D386 E392	L380-L388 HydrophobicContact CB-CD2 4.02Å; S384-L388 WeakPolarHBondContact O-CG 3.42Å; S384-L388 PolarHBondContact O-N 3.19Å; K385-L388 WeakPolarHBondContact O-CB 3.41Å; K385-L388 PolarHBondContact O-N 3.2Å; D386-L388 VanDerWaalsContact C-N 3.34Å; D386-L388 PolarHBondContact O-N 3.1Å; L388-E392 WeakPolarHBondContact O-CB 3.25Å; L388-E392 PolarHBondContact O-N 2.86Å
389	N	84.1	Confident	85.2	Confident	63 Å²	63	35.7 Å²	35.7	34%	0.337	19%	0.185	S	C	.	.	H	α-helix	trans	-65.8	-42.7	176.1	-69.1	-21.6	0	0	0	110.8	K204 K385 D386 V387 E392 R393	K204-N389 PolarHBondContact NZ-OD1 3.08Å; K385-N389 WeakPolarHBondContact O-CB 3.38Å; K385-N389 PolarHBondContact O-N 3.12Å; K385-N389 PolarHBondContact O-ND2 3.15Å; K385-N389 PolarHBondContact O-OD1 3.38Å; D386-N389 PolarHBondContact O-N 3.09Å; V387-N389 VanDerWaalsContact C-N 3.34Å; V387-N389 PolarHBondContact O-N 3.26Å; N389-E392 PolarHBondContact O-N 3.03Å; N389-R393 WeakPolarHBondContact O-CG 3.4Å; N389-R393 PolarHBondContact O-N 3.11Å; N389-R393 VanDerWaalsContact O-N 3.11Å
390	E	82.9	Confident	85.2	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-37	177.4	-166	65.2	179.7	0	0	112.1	T60 L165 D386 V387 R393 N394	T60-E390 WeakPolarHBondContact CB-OE2 3.5Å; T60-E390 PolarHBondContact OG1-OE1 3.37Å; T60-E390 PolarHBondContact OG1-OE2 2.97Å; T60-E390 VanDerWaalsContact OG1-OE2 3.11Å; L165-E390 HydrophobicContact CB-CG 4.34Å; L165-E390 HydrophobicContact CD2-CG 4.04Å; D386-E390 PolarHBondContact O-N 3.47Å; V387-E390 PolarHBondContact O-N 3.43Å; E390-R393 PolarHBondContact O-N 3.07Å; E390-R393 IonicContact OE2-NH1 3.92Å; E390-N394 WeakPolarHBondContact O-CB 3.37Å; E390-N394 PolarHBondContact O-N 3.1Å; E390-N394 VanDerWaalsContact O-N 3.08Å; E390-N394 PolarHBondContact O-ND2 3.07Å
391	V	86.4	Confident	85.2	Confident	10 Å²	10	36.4 Å²	36.4	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-42.3	175.2	171.3	0	0	0	0	110.9	I166 L380 V387 L395	I166-V391 HydrophobicContact CD1-CB 4.25Å; I166-V391 HydrophobicContact CD1-CG1 3.92Å; I166-V391 HydrophobicContact CD1-CG2 4.4Å; I166-V391 WeakPolarHBondContact CD1-O 3.45Å; I166-V391 HydrophobicContact CG1-CG2 4.19Å; L380-V391 HydrophobicContact CD1-CG1 4.19Å; L380-V391 HydrophobicContact CD2-CG1 4.15Å; V387-V391 HydrophobicContact CG1-CG2 4.12Å; V387-V391 WeakPolarHBondContact O-CB 3.49Å; V387-V391 WeakPolarHBondContact O-CG2 2.92Å; V387-V391 PolarHBondContact O-N 3.18Å; V391-L395 VanDerWaalsContact O-CB 3.22Å; V391-L395 WeakPolarHBondContact O-CB 3.09Å; V391-L395 PolarHBondContact O-N 3.32Å
392	E	86.8	Confident	85.5	Confident	40 Å²	40	32.9 Å²	32.9	19%	0.187	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-48.8	175.2	173.3	-173.1	-125.2	0	0	111.6	V202 K204 L380 L388 N389 L395 Q396	V202-E392 HydrophobicContact CB-CG 4.4Å; V202-E392 HydrophobicContact CG1-CB 4.43Å; V202-E392 HydrophobicContact CG1-CG 4.01Å; V202-E392 HydrophobicContact CG2-CG 4.45Å; K204-E392 VanDerWaalsContact CE-OE1 3.31Å; K204-E392 WeakPolarHBondContact CE-OE1 3.43Å; K204-E392 WeakPolarHBondContact CE-OE2 3.35Å; K204-E392 VanDerWaalsContact NZ-CD 3.35Å; K204-E392 IonicContact NZ-OE1 2.87Å; K204-E392 IonicContact NZ-OE2 2.6Å; K204-E392 PolarHBondContact NZ-OE2 3.47Å; L380-E392 HydrophobicContact CD1-CB 3.98Å; L388-E392 WeakPolarHBondContact O-CB 3.25Å; L388-E392 PolarHBondContact O-N 2.86Å; N389-E392 PolarHBondContact O-N 3.03Å; E392-L395 PolarHBondContact O-N 3.46Å; E392-Q396 HydrophobicContact CG-CG 4.46Å; E392-Q396 WeakPolarHBondContact O-CG 3.47Å; E392-Q396 PolarHBondContact O-N 3.38Å
393	R	84.1	Confident	85.9	Confident	67 Å²	67	35.4 Å²	35.4	25%	0.253	19%	0.185	S	C	.	.	H	α-helix	trans	-57.8	-53	-179.8	-73.7	171.9	179.3	179.8	-4.8	111.1	N389 E390 L395 Q396 D397	N389-R393 WeakPolarHBondContact O-CG 3.4Å; N389-R393 PolarHBondContact O-N 3.11Å; N389-R393 VanDerWaalsContact O-N 3.11Å; E390-R393 PolarHBondContact O-N 3.07Å; E390-R393 IonicContact OE2-NH1 3.92Å; R393-L395 PolarHBondContact O-N 3.26Å; R393-Q396 WeakPolarHBondContact O-CB 3.18Å; R393-Q396 PolarHBondContact O-N 2.72Å; R393-D397 PolarHBondContact O-N 2.85Å; R393-D397 VanDerWaalsContact O-N 3.09Å
394	N	86.2	Confident	86.4	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-31.5	-179.6	-65.9	-24.7	0	0	0	112.4	K164 I166 E390 A398	K164-N394 HydrophobicContact CB-CB 4.39Å; K164-N394 HydrophobicContact CD-CB 4.11Å; K164-N394 VanDerWaalsContact CD-OD1 3.28Å; K164-N394 WeakPolarHBondContact CD-OD1 3.4Å; I166-N394 HydrophobicContact CB-CB 4.45Å; I166-N394 HydrophobicContact CD1-CB 3.3Å; I166-N394 HydrophobicContact CG1-CB 3.72Å; E390-N394 WeakPolarHBondContact O-CB 3.37Å; E390-N394 PolarHBondContact O-N 3.1Å; E390-N394 VanDerWaalsContact O-N 3.08Å; E390-N394 PolarHBondContact O-ND2 3.07Å; N394-A398 PolarHBondContact O-N 3.45Å; N394-A398 VanDerWaalsContact O-N 3.11Å
395	L	88.6	Confident	86.8	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-71.9	-37.8	173.8	-176.3	69.1	0	0	0	112.2	A173 I176 A177 I378 L380 V391 E392 R393 D397 A398 M399	A173-L395 HydrophobicContact CB-CD1 4.41Å; I176-L395 HydrophobicContact CB-CD1 4.25Å; I176-L395 HydrophobicContact CG2-CD1 3.81Å; I176-L395 HydrophobicContact CG2-CD2 3.78Å; I176-L395 HydrophobicContact CG2-CG 4.43Å; A177-L395 HydrophobicContact CB-CD1 4.1Å; I378-L395 HydrophobicContact CD1-CD2 3.96Å; I378-L395 HydrophobicContact CG2-CD2 3.76Å; L380-L395 HydrophobicContact CD1-CD2 4.38Å; L380-L395 HydrophobicContact CD2-CD2 4.06Å; V391-L395 VanDerWaalsContact O-CB 3.22Å; V391-L395 WeakPolarHBondContact O-CB 3.09Å; V391-L395 PolarHBondContact O-N 3.32Å; E392-L395 PolarHBondContact O-N 3.46Å; R393-L395 PolarHBondContact O-N 3.26Å; L395-D397 VanDerWaalsContact C-N 3.28Å; L395-D397 PolarHBondContact O-N 3.01Å; L395-A398 WeakPolarHBondContact O-CB 3.41Å; L395-A398 PolarHBondContact O-N 2.91Å; L395-M399 HydrophobicContact CG-CE 4.3Å; L395-M399 WeakPolarHBondContact O-CG 3.26Å; L395-M399 PolarHBondContact O-N 2.82Å
396	Q	87.8	Confident	87.1	Confident	78 Å²	78	25.4 Å²	25.4	36%	0.364	12%	0.124	S	C	.	.	H	α-helix	trans	-58.8	-43.7	173.3	-73.2	175.4	1.5	0	0	110.9	E392 R393 A398 M399 N400	E392-Q396 HydrophobicContact CG-CG 4.46Å; E392-Q396 WeakPolarHBondContact O-CG 3.47Å; E392-Q396 PolarHBondContact O-N 3.38Å; R393-Q396 WeakPolarHBondContact O-CB 3.18Å; R393-Q396 PolarHBondContact O-N 2.72Å; Q396-A398 PolarHBondContact O-N 3.46Å; Q396-M399 HydrophobicContact CB-CE 4.42Å; Q396-M399 HydrophobicContact CG-CE 4.01Å; Q396-M399 PolarHBondContact O-N 3.31Å; Q396-N400 WeakPolarHBondContact O-CB 3.37Å; Q396-N400 VanDerWaalsContact O-CG 3.31Å; Q396-N400 PolarHBondContact O-N 2.84Å; Q396-N400 PolarHBondContact O-ND2 3.29Å
397	D	87	Confident	87.5	Confident	8 Å²	8	24.6 Å²	24.6	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-64.1	-42	177	-55.1	-20.8	0	0	0	111.5	K164 R393 L395 M399 N400 V401	K164-D397 IonicContact NZ-OD2 3.65Å; K164-D397 PolarHBondContact NZ-OD2 2.91Å; R393-D397 PolarHBondContact O-N 2.85Å; R393-D397 VanDerWaalsContact O-N 3.09Å; L395-D397 VanDerWaalsContact C-N 3.28Å; L395-D397 PolarHBondContact O-N 3.01Å; D397-M399 PolarHBondContact O-N 3.01Å; D397-N400 PolarHBondContact O-N 3.46Å; D397-V401 VanDerWaalsContact O-CG2 3.31Å; D397-V401 WeakPolarHBondContact O-CG2 3.47Å; D397-V401 PolarHBondContact O-N 3.4Å
398	A	88.9	Confident	87.6	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-60.5	-44.2	174.7	0	0	0	0	0	112.1	V157 V161 A177 N394 L395 Q396 V401 V402	V157-A398 HydrophobicContact CG1-CB 3.74Å; V161-A398 HydrophobicContact CG2-CB 3.78Å; A177-A398 HydrophobicContact CB-CB 3.89Å; N394-A398 PolarHBondContact O-N 3.45Å; N394-A398 VanDerWaalsContact O-N 3.11Å; L395-A398 WeakPolarHBondContact O-CB 3.41Å; L395-A398 PolarHBondContact O-N 2.91Å; Q396-A398 PolarHBondContact O-N 3.46Å; A398-V401 PolarHBondContact O-N 2.9Å; A398-V402 WeakPolarHBondContact O-CG2 3.44Å; A398-V402 PolarHBondContact O-N 3.49Å; A398-V402 VanDerWaalsContact O-N 3.08Å
399	M	90.6	Very high	87.7	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-41	176	-71.4	-173.8	-67.3	0	0	111.7	A177 A180 V181 I196 A200 I378 L395 Q396 D397 V401 V402 R403	A177-M399 HydrophobicContact CB-CG 3.89Å; A180-M399 HydrophobicContact CB-SD 4.11Å; V181-M399 HydrophobicContact CG2-CB 3.87Å; V181-M399 HydrophobicContact CG2-CG 4.15Å; V181-M399 WeakPolarHBondContact CG2-O 3.45Å; I196-M399 HydrophobicContact CD1-CB 3.9Å; I196-M399 WeakPolarHBondContact CD1-O 3.49Å; I196-M399 HydrophobicContact CG2-CB 4.23Å; I196-M399 HydrophobicContact CG2-CE 3.87Å; I196-M399 HydrophobicContact CG2-SD 3.95Å; A200-M399 HydrophobicContact CB-SD 4.39Å; I378-M399 HydrophobicContact CD1-CE 4.05Å; I378-M399 HydrophobicContact CD1-SD 3.4Å; I378-M399 WeakPolarHBondContact CD1-SD 3.31Å; L395-M399 HydrophobicContact CG-CE 4.3Å; L395-M399 WeakPolarHBondContact O-CG 3.26Å; L395-M399 PolarHBondContact O-N 2.82Å; Q396-M399 HydrophobicContact CB-CE 4.42Å; Q396-M399 HydrophobicContact CG-CE 4.01Å; Q396-M399 PolarHBondContact O-N 3.31Å; D397-M399 PolarHBondContact O-N 3.01Å; M399-V401 VanDerWaalsContact C-N 3.34Å; M399-V401 PolarHBondContact O-N 3.04Å; M399-V402 PolarHBondContact O-N 3.48Å; M399-R403 WeakPolarHBondContact O-CB 3.42Å; M399-R403 PolarHBondContact O-N 3.24Å
400	N	89.9	Confident	88	Confident	27 Å²	27	32.1 Å²	32.1	14%	0.144	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-38.9	177.3	-74.6	-34.1	0	0	0	111.9	V91 G92 I196 Q396 D397 R403 N404	V91-N400 WeakPolarHBondContact O-CB 3.23Å; G92-N400 WeakPolarHBondContact CA-ND2 3.26Å; I196-N400 WeakPolarHBondContact CD1-OD1 3.28Å; Q396-N400 WeakPolarHBondContact O-CB 3.37Å; Q396-N400 VanDerWaalsContact O-CG 3.31Å; Q396-N400 PolarHBondContact O-N 2.84Å; Q396-N400 PolarHBondContact O-ND2 3.29Å; D397-N400 PolarHBondContact O-N 3.46Å; N400-R403 WeakPolarHBondContact O-CB 3.48Å; N400-R403 PolarHBondContact O-N 3.43Å; N400-N404 PolarHBondContact O-N 3.06Å; N400-N404 PolarHBondContact O-ND2 3.31Å; N400-N404 VanDerWaalsContact O-ND2 3.17Å; N400-N404 PolarHBondContact O-OD1 3.12Å
401	V	89.6	Confident	88.4	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-46.4	172.8	168.5	0	0	0	0	111.3	D93 I156 V157 C160 D397 A398 M399 R403 N404 V405 P505	D93-V401 HydrophobicContact CB-CG2 4.15Å; I156-V401 HydrophobicContact CG2-CG1 4.02Å; V157-V401 HydrophobicContact CG2-CG1 4.39Å; C160-V401 HydrophobicContact CB-CG2 4.06Å; D397-V401 VanDerWaalsContact O-CG2 3.31Å; D397-V401 WeakPolarHBondContact O-CG2 3.47Å; D397-V401 PolarHBondContact O-N 3.4Å; A398-V401 PolarHBondContact O-N 2.9Å; M399-V401 VanDerWaalsContact C-N 3.34Å; M399-V401 PolarHBondContact O-N 3.04Å; V401-R403 VanDerWaalsContact C-N 3.34Å; V401-R403 PolarHBondContact O-N 3.25Å; V401-N404 PolarHBondContact O-N 2.81Å; V401-V405 WeakPolarHBondContact O-CG2 3.46Å; V401-V405 PolarHBondContact O-N 3.01Å; V401-P505 HydrophobicContact CG1-CG 3.83Å
402	V	90.5	Very high	88.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-44.3	175.5	178.3	0	0	0	0	111	V153 V157 A177 Y178 V181 A398 M399 N404 V405 M406	V153-V402 HydrophobicContact CG1-CG1 4.08Å; V153-V402 HydrophobicContact CG1-CG2 4.01Å; V157-V402 HydrophobicContact CG2-CG2 3.27Å; A177-V402 HydrophobicContact CB-CG2 4.35Å; Y178-V402 HydrophobicContact CD2-CG1 4.3Å; V181-V402 HydrophobicContact CB-CB 4.27Å; V181-V402 HydrophobicContact CB-CG1 3.77Å; V181-V402 HydrophobicContact CG1-CB 4.36Å; V181-V402 HydrophobicContact CG1-CG1 3.76Å; V181-V402 HydrophobicContact CG2-CB 4.1Å; V181-V402 HydrophobicContact CG2-CG1 4.16Å; A398-V402 WeakPolarHBondContact O-CG2 3.44Å; A398-V402 PolarHBondContact O-N 3.49Å; A398-V402 VanDerWaalsContact O-N 3.08Å; M399-V402 PolarHBondContact O-N 3.48Å; V402-N404 VanDerWaalsContact C-N 3.31Å; V402-N404 PolarHBondContact O-N 3.28Å; V402-V405 PolarHBondContact O-N 3.13Å; V402-M406 HydrophobicContact CG1-CE 3.86Å; V402-M406 HydrophobicContact CG1-CG 4.36Å; V402-M406 HydrophobicContact CG1-SD 4.4Å; V402-M406 WeakPolarHBondContact O-CG 3.26Å; V402-M406 PolarHBondContact O-N 3.43Å
403	R	90.9	Very high	88.9	Confident	55 Å²	55	30 Å²	30	21%	0.208	14%	0.135	C	C	.	.	H	α-helix	trans	-56	-45.8	175	165.3	177.7	178.1	-104.6	-2.2	111.3	E90 I194 I196 M399 N400 V401 V405 M406 L407	E90-R403 PolarHBondContact O-NH1 2.92Å; I194-R403 HydrophobicContact CB-CG 4.09Å; I194-R403 HydrophobicContact CD1-CG 4.38Å; I194-R403 HydrophobicContact CG2-CB 4.12Å; I194-R403 HydrophobicContact CG2-CG 3.98Å; I194-R403 PolarHBondContact O-NE 2.85Å; I194-R403 VanDerWaalsContact O-NE 3.12Å; I196-R403 HydrophobicContact CD1-CB 3.76Å; I196-R403 HydrophobicContact CD1-CG 4.35Å; M399-R403 WeakPolarHBondContact O-CB 3.42Å; M399-R403 PolarHBondContact O-N 3.24Å; N400-R403 WeakPolarHBondContact O-CB 3.48Å; N400-R403 PolarHBondContact O-N 3.43Å; V401-R403 VanDerWaalsContact C-N 3.34Å; V401-R403 PolarHBondContact O-N 3.25Å; R403-V405 PolarHBondContact O-N 2.89Å; R403-M406 PolarHBondContact O-N 3.49Å; R403-L407 HydrophobicContact CG-CD1 3.92Å; R403-L407 HydrophobicContact CG-CG 4.49Å; R403-L407 WeakPolarHBondContact O-CG 3.42Å; R403-L407 PolarHBondContact O-N 3.05Å
404	N	90.5	Very high	89.2	Confident	7 Å²	7	26.8 Å²	26.8	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-42	-180	-65.1	-24.7	0	0	0	111.9	V91 N400 V401 V402 L407 E408 P505 A507	V91-N404 PolarHBondContact O-ND2 2.92Å; N400-N404 PolarHBondContact O-N 3.06Å; N400-N404 PolarHBondContact O-ND2 3.31Å; N400-N404 VanDerWaalsContact O-ND2 3.17Å; N400-N404 PolarHBondContact O-OD1 3.12Å; V401-N404 PolarHBondContact O-N 2.81Å; V402-N404 VanDerWaalsContact C-N 3.31Å; V402-N404 PolarHBondContact O-N 3.28Å; N404-L407 PolarHBondContact O-N 3.01Å; N404-E408 PolarHBondContact O-N 2.94Å; N404-P505 HydrophobicContact CB-CB 4.29Å; N404-A507 HydrophobicContact CB-CB 4.28Å
405	V	89.8	Confident	89.3	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-67.1	-35.6	176.8	176.1	0	0	0	0	111.8	V153 I156 V401 V402 R403 E408 L411 P505	V153-V405 HydrophobicContact CG2-CG1 4.36Å; I156-V405 HydrophobicContact CD1-CG1 4.14Å; I156-V405 HydrophobicContact CD1-CG2 4.16Å; I156-V405 HydrophobicContact CG2-CG2 4.02Å; V401-V405 WeakPolarHBondContact O-CG2 3.46Å; V401-V405 PolarHBondContact O-N 3.01Å; V402-V405 PolarHBondContact O-N 3.13Å; R403-V405 PolarHBondContact O-N 2.89Å; V405-E408 CarbonylContact O-C 3.54Å; V405-L411 HydrophobicContact CG2-CD2 4.31Å; V405-P505 HydrophobicContact CG2-CB 4.28Å; V405-P505 HydrophobicContact CG2-CG 4.12Å
406	M	87.5	Confident	89.4	Confident	16 Å²	16	27.4 Å²	27.4	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-71.4	-32.5	177	-73.8	-165.4	178.8	0	0	113.4	A147 Y178 V181 K182 I194 V402 R403	A147-M406 HydrophobicContact CB-CG 4.44Å; Y178-M406 HydrophobicContact CD2-CE 4.32Å; Y178-M406 HydrophobicContact CE2-CE 4.01Å; V181-M406 HydrophobicContact CG1-CE 4.24Å; V181-M406 HydrophobicContact CG1-SD 3.72Å; K182-M406 HydrophobicContact CB-CE 4.43Å; I194-M406 HydrophobicContact CD1-CB 3.72Å; I194-M406 HydrophobicContact CD1-SD 4.11Å; V402-M406 HydrophobicContact CG1-CE 3.86Å; V402-M406 HydrophobicContact CG1-CG 4.36Å; V402-M406 HydrophobicContact CG1-SD 4.4Å; V402-M406 WeakPolarHBondContact O-CG 3.26Å; V402-M406 PolarHBondContact O-N 3.43Å; R403-M406 PolarHBondContact O-N 3.49Å
407	L	87.2	Confident	89.6	Confident	79 Å²	79	23.7 Å²	23.7	41%	0.414	11%	0.113	S	C	.	.	H	α-helix	trans	-78.4	-46.1	176	-68.5	173.9	0	0	0	111.7	K192 I194 R403 N404	K192-L407 HydrophobicContact CB-CD2 4.34Å; K192-L407 WeakPolarHBondContact O-CD2 3.47Å; I194-L407 HydrophobicContact CD1-CG 4.47Å; R403-L407 HydrophobicContact CG-CD1 3.92Å; R403-L407 HydrophobicContact CG-CG 4.49Å; R403-L407 WeakPolarHBondContact O-CG 3.42Å; R403-L407 PolarHBondContact O-N 3.05Å; N404-L407 PolarHBondContact O-N 3.01Å
408	E	85.1	Confident	89.9	Confident	89 Å²	89	23.5 Å²	23.5	42%	0.416	11%	0.112	S	C	.	.	S	Bend	trans	-125	106.1	178.9	-68.2	-167.4	158.2	0	0	111	N404 V405 R410 F506	N404-E408 PolarHBondContact O-N 2.94Å; V405-E408 CarbonylContact O-C 3.54Å; E408-R410 PolarHBondContact O-N 3.36Å; E408-F506 WeakPolarHBondContact OE2-CD1 3.17Å
409	Q	87	Confident	90.1	Very high	87 Å²	87	23.7 Å²	23.7	41%	0.407	11%	0.113	S	C	.	.			trans	-75.2	49.4	-177.3	-77.1	-176.6	-21	0	0	113.6	P144 C145 A147	P144-Q409 WeakPolarHBondContact CA-O 3.12Å; C145-Q409 PolarHBondContact N-O 3.29Å; C145-Q409 VanDerWaalsContact O-CB 3.27Å; C145-Q409 WeakPolarHBondContact O-CB 3.3Å; A147-Q409 HydrophobicContact CB-CG 3.96Å
410	R	89.9	Confident	90.2	Very high	94 Å²	94	23.7 Å²	23.7	36%	0.355	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.3	-179.3	-66.8	-175.2	179.6	-155.9	-2.1	112.1	R138 V143 E408 F506	R138-R410 VanDerWaalsContact CG-NH1 3.3Å; R138-R410 PolarHBondContact O-NH1 3.38Å; V143-R410 WeakPolarHBondContact O-CA 3.32Å; E408-R410 PolarHBondContact O-N 3.36Å; R410-F506 HydrophobicContact CB-CB 3.76Å; R410-F506 HydrophobicContact CB-CG 4.22Å; R410-F506 VanDerWaalsContact O-CB 3.29Å; R410-F506 WeakPolarHBondContact O-CB 3.23Å; R410-F506 PolarHBondContact O-N 3.03Å
411	L	91.1	Very high	90.4	Very high	14 Å²	14	22.7 Å²	22.7	7%	0.073	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.5	-180	-56.4	173.6	0	0	0	111	S142 V143 C145 I156 V405 W503	S142-L411 CarbonylContact C-O 3.47Å; S142-L411 WeakPolarHBondContact CA-O 3.41Å; V143-L411 PolarHBondContact N-O 3.18Å; V143-L411 PolarHBondContact O-N 3.13Å; C145-L411 HydrophobicContact CB-CD1 3.69Å; C145-L411 HydrophobicContact CB-CD2 4.44Å; C145-L411 HydrophobicContact CB-CG 3.71Å; I156-L411 HydrophobicContact CD1-CD1 3.64Å; I156-L411 HydrophobicContact CD1-CD2 3.52Å; I156-L411 HydrophobicContact CD1-CG 4.15Å; I156-L411 HydrophobicContact CG1-CD1 3.88Å; I156-L411 HydrophobicContact CG1-CD2 3.85Å; I156-L411 HydrophobicContact CG2-CD2 4.2Å; V405-L411 HydrophobicContact CG2-CD2 4.31Å; L411-W503 HydrophobicContact CB-CB 4.36Å; L411-W503 HydrophobicContact CB-CD2 4.48Å; L411-W503 HydrophobicContact CB-CE3 4.02Å; L411-W503 HydrophobicContact CD1-CB 4.18Å; L411-W503 HydrophobicContact CD1-CD2 4.48Å; L411-W503 HydrophobicContact CD1-CG 4.22Å
412	V	92	Very high	90.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148	175.3	-59.9	0	0	0	0	109.2	L137 L141 G414 D504 F506 K509	L137-V412 HydrophobicContact CD1-CG1 3.95Å; L141-V412 WeakPolarHBondContact O-CG1 3.35Å; V412-G414 PolarHBondContact O-N 3.25Å; V412-D504 HydrophobicContact CG2-CB 4.15Å; V412-D504 WeakPolarHBondContact CG2-O 3.47Å; V412-D504 PolarHBondContact N-O 2.99Å; V412-D504 PolarHBondContact O-N 2.94Å; V412-F506 HydrophobicContact CG1-CB 4.25Å; V412-F506 HydrophobicContact CG1-CD2 4.18Å; V412-K509 HydrophobicContact CG2-CB 4.14Å; V412-K509 HydrophobicContact CG2-CG 3.55Å
413	P	92	Very high	90.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.8	-179.5	28.2	-34.8	0	0	0	110.1	A417 W483 T484 M497 W503	P413-A417 HydrophobicContact CB-CB 4.04Å; P413-A417 HydrophobicContact CG-CB 4.12Å; P413-W483 HydrophobicContact CG-CE3 3.69Å; P413-W483 HydrophobicContact CG-CH2 4.3Å; P413-W483 HydrophobicContact CG-CZ3 3.45Å; P413-W483 VanDerWaalsContact CG-CZ3 3.45Å; P413-T484 HydrophobicContact CB-CG2 4.41Å; P413-T484 HydrophobicContact CG-CG2 4.31Å; P413-M497 HydrophobicContact CB-CB 3.92Å; P413-M497 HydrophobicContact CB-CG 4.47Å; P413-W503 HydrophobicContact CB-CZ3 4.37Å
414	G	90.6	Very high	90.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-152.6	-180	0	0	0	0	0	113.3	V412 G416 A417 M497 I502 D504	V412-G414 PolarHBondContact O-N 3.25Å; G414-G416 PolarHBondContact O-N 3.33Å; G414-A417 VanDerWaalsContact O-CB 3.29Å; G414-A417 WeakPolarHBondContact O-CB 3.3Å; G414-A417 PolarHBondContact O-N 2.95Å; G414-M497 WeakPolarHBondContact O-CG 3.45Å; G414-I502 PolarHBondContact N-O 3.21Å; G414-D504 WeakPolarHBondContact CA-OD2 3.39Å
415	G	87.9	Confident	90.7	Very high	16 Å²	16	22.9 Å²	22.9	17%	0.165	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	19.4	170.1	0	0	0	0	0	116.2	A417 V487	G415-A417 VanDerWaalsContact C-N 3.32Å; G415-V487 PolarHBondContact O-N 3.28Å
416	G	90.7	Very high	90.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	4.8	-176.6	0	0	0	0	0	114.6	G414 E419 M420	G414-G416 PolarHBondContact O-N 3.33Å; G416-E419 VanDerWaalsContact C-OE2 3.27Å; G416-E419 WeakPolarHBondContact CA-OE2 3.49Å; G416-M420 PolarHBondContact O-N 2.9Å
417	A	92.8	Very high	91	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67	-48.2	-178.8	0	0	0	0	0	111.1	P413 G414 G415 E419 M420 A421 F485 M497	P413-A417 HydrophobicContact CB-CB 4.04Å; P413-A417 HydrophobicContact CG-CB 4.12Å; G414-A417 VanDerWaalsContact O-CB 3.29Å; G414-A417 WeakPolarHBondContact O-CB 3.3Å; G414-A417 PolarHBondContact O-N 2.95Å; G415-A417 VanDerWaalsContact C-N 3.32Å; A417-E419 VanDerWaalsContact C-N 3.34Å; A417-E419 PolarHBondContact O-N 2.93Å; A417-M420 PolarHBondContact O-N 2.94Å; A417-A421 WeakPolarHBondContact O-CB 3.44Å; A417-A421 PolarHBondContact O-N 3.17Å; A417-F485 WeakPolarHBondContact CA-O 3.23Å; A417-F485 VanDerWaalsContact CB-O 3.22Å; A417-F485 WeakPolarHBondContact CB-O 3.16Å; A417-M497 HydrophobicContact CB-CG 4.04Å
418	I	93.3	Very high	91.2	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-38.7	-178.7	-169.6	64.6	0	0	0	112.4	L137 L141 M420 A421 L422 K509	L137-I418 HydrophobicContact CD1-CD1 3.42Å; L137-I418 VanDerWaalsContact CD1-CD1 3.42Å; L137-I418 HydrophobicContact CD1-CG1 3.46Å; L137-I418 VanDerWaalsContact CD1-CG1 3.46Å; L141-I418 HydrophobicContact CB-CD1 3.43Å; L141-I418 VanDerWaalsContact CB-CD1 3.43Å; L141-I418 HydrophobicContact CD1-CD1 3.73Å; L141-I418 HydrophobicContact CG-CD1 4.13Å; I418-M420 VanDerWaalsContact C-N 3.34Å; I418-M420 PolarHBondContact O-N 2.91Å; I418-A421 PolarHBondContact O-N 2.93Å; I418-L422 HydrophobicContact CG1-CD1 4.19Å; I418-L422 HydrophobicContact CG1-CG 4.44Å; I418-L422 WeakPolarHBondContact O-CB 3.43Å; I418-L422 VanDerWaalsContact O-CG 3.28Å; I418-L422 WeakPolarHBondContact O-CG 2.9Å; I418-L422 PolarHBondContact O-N 2.95Å; I418-K509 HydrophobicContact CG2-CD 4.1Å; I418-K509 HydrophobicContact CG2-CG 4.35Å
419	E	93.5	Very high	91.4	Very high	5 Å²	5	22 Å²	22	2%	0.023	11%	0.107	C	C	.	.	H	α-helix	trans	-65.8	-38.2	177.7	-64.6	82.4	176.3	0	0	111.4	G416 A417 A423 L449 I452 K509	G416-E419 VanDerWaalsContact C-OE2 3.27Å; G416-E419 WeakPolarHBondContact CA-OE2 3.49Å; A417-E419 VanDerWaalsContact C-N 3.34Å; A417-E419 PolarHBondContact O-N 2.93Å; E419-A423 VanDerWaalsContact O-CB 3.28Å; E419-A423 WeakPolarHBondContact O-CB 3.31Å; E419-A423 PolarHBondContact O-N 3.27Å; E419-L449 HydrophobicContact CB-CB 4.44Å; E419-L449 WeakPolarHBondContact CB-O 3.29Å; E419-I452 HydrophobicContact CG-CB 4.07Å; E419-I452 HydrophobicContact CG-CG1 4.09Å; E419-I452 HydrophobicContact CG-CG2 4.38Å; E419-K509 IonicContact OE1-NZ 2.77Å; E419-K509 PolarHBondContact OE1-NZ 3.01Å
420	M	93	Very high	91.5	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-70.6	-40.1	175.4	-171.8	61.7	70.5	0	0	112.1	G416 A417 I418 A423 Q424 E450 P453 I468 L471 R472 H475	G416-M420 PolarHBondContact O-N 2.9Å; A417-M420 PolarHBondContact O-N 2.94Å; I418-M420 VanDerWaalsContact C-N 3.34Å; I418-M420 PolarHBondContact O-N 2.91Å; M420-A423 PolarHBondContact O-N 3.17Å; M420-Q424 PolarHBondContact O-N 3.33Å; M420-E450 HydrophobicContact CE-CG 3.96Å; M420-E450 HydrophobicContact SD-CG 4.19Å; M420-P453 HydrophobicContact CE-CG 4.21Å; M420-I468 HydrophobicContact CE-CD1 4.48Å; M420-I468 HydrophobicContact CE-CG2 4.29Å; M420-L471 HydrophobicContact CE-CB 4.44Å; M420-L471 HydrophobicContact CE-CD2 3.82Å; M420-L471 HydrophobicContact CE-CG 4.16Å; M420-L471 HydrophobicContact CG-CD2 4.37Å; M420-L471 HydrophobicContact CG-CG 4.2Å; M420-R472 HydrophobicContact SD-CB 4.28Å; M420-R472 HydrophobicContact SD-CG 4.49Å; M420-H475 HydrophobicContact CG-CB 4.16Å; M420-H475 WeakPolarHBondContact CG-ND1 3.45Å
421	A	92.8	Very high	91.6	Very high	6 Å²	6	19.9 Å²	19.9	5%	0.05	10%	0.099	C	C	.	.	H	α-helix	trans	-61.6	-46.3	175.2	0	0	0	0	0	111.4	L141 A417 I418 Q424 E425 W483	L141-A421 HydrophobicContact CD1-CB 4.18Å; L141-A421 HydrophobicContact CD2-CB 4.18Å; A417-A421 WeakPolarHBondContact O-CB 3.44Å; A417-A421 PolarHBondContact O-N 3.17Å; I418-A421 PolarHBondContact O-N 2.93Å; A421-Q424 PolarHBondContact O-N 2.76Å; A421-E425 WeakPolarHBondContact O-CG 3.3Å; A421-E425 PolarHBondContact O-N 3.02Å; A421-W483 HydrophobicContact CB-CB 3.95Å
422	L	93.2	Very high	91.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-40.3	175.3	-70.7	173.3	0	0	0	112	M133 L136 L141 I418 Q424 E425 L426 L449 L513	M133-L422 HydrophobicContact CB-CD2 4.19Å; M133-L422 HydrophobicContact CG-CD2 4.21Å; M133-L422 HydrophobicContact SD-CB 4.5Å; L136-L422 HydrophobicContact CB-CD2 4.17Å; L141-L422 HydrophobicContact CD1-CD2 3.71Å; L141-L422 HydrophobicContact CD1-CG 4.13Å; I418-L422 HydrophobicContact CG1-CD1 4.19Å; I418-L422 HydrophobicContact CG1-CG 4.44Å; I418-L422 WeakPolarHBondContact O-CB 3.43Å; I418-L422 VanDerWaalsContact O-CG 3.28Å; I418-L422 WeakPolarHBondContact O-CG 2.9Å; I418-L422 PolarHBondContact O-N 2.95Å; L422-Q424 VanDerWaalsContact C-N 3.34Å; L422-Q424 PolarHBondContact O-N 2.95Å; L422-E425 PolarHBondContact O-N 2.76Å; L422-L426 VanDerWaalsContact O-CB 3.25Å; L422-L426 WeakPolarHBondContact O-CB 3.46Å; L422-L426 PolarHBondContact O-N 3.3Å; L422-L449 HydrophobicContact CB-CD1 3.96Å; L422-L513 HydrophobicContact CD1-CD1 3.57Å
423	A	93.1	Very high	91.2	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-60.2	-43.2	175.7	0	0	0	0	0	112	E419 M420 T427 A446 L449 E450	E419-A423 VanDerWaalsContact O-CB 3.28Å; E419-A423 WeakPolarHBondContact O-CB 3.31Å; E419-A423 PolarHBondContact O-N 3.27Å; M420-A423 PolarHBondContact O-N 3.17Å; A423-T427 WeakPolarHBondContact O-CB 2.92Å; A423-T427 PolarHBondContact O-N 2.91Å; A423-T427 PolarHBondContact O-OG1 3.11Å; A423-A446 HydrophobicContact CB-CB 4.25Å; A423-A446 VanDerWaalsContact CB-O 3.27Å; A423-A446 WeakPolarHBondContact CB-O 2.86Å; A423-A446 WeakPolarHBondContact O-CB 3.45Å; A423-L449 HydrophobicContact CB-CB 4.18Å; A423-L449 HydrophobicContact CB-CD1 4.36Å; A423-E450 HydrophobicContact CB-CG 4.35Å
424	Q	91.8	Very high	90.7	Very high	20 Å²	20	33 Å²	33	9%	0.093	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-46.8	178	178.7	61.5	7.8	0	0	111.6	M420 A421 L422 L426 T427 Q428	M420-Q424 PolarHBondContact O-N 3.33Å; A421-Q424 PolarHBondContact O-N 2.76Å; L422-Q424 VanDerWaalsContact C-N 3.34Å; L422-Q424 PolarHBondContact O-N 2.95Å; Q424-L426 PolarHBondContact O-N 3.47Å; Q424-T427 WeakPolarHBondContact O-CB 3.48Å; Q424-T427 PolarHBondContact O-N 2.84Å; Q424-Q428 VanDerWaalsContact NE2-NE2 3.1Å; Q424-Q428 WeakPolarHBondContact O-CG 3.41Å; Q424-Q428 PolarHBondContact O-N 2.58Å
425	E	90.6	Very high	90.5	Very high	44 Å²	44	35.7 Å²	35.7	21%	0.206	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-42.4	177.5	-74.8	-66.5	131.5	0	0	111.9	L136 A421 L422 T427 Q428 K429	L136-E425 HydrophobicContact CD1-CB 3.79Å; L136-E425 HydrophobicContact CD1-CG 4.39Å; A421-E425 WeakPolarHBondContact O-CG 3.3Å; A421-E425 PolarHBondContact O-N 3.02Å; L422-E425 PolarHBondContact O-N 2.76Å; E425-T427 VanDerWaalsContact C-N 3.3Å; E425-T427 PolarHBondContact O-N 3.45Å; E425-Q428 PolarHBondContact O-N 2.89Å; E425-K429 PolarHBondContact O-N 3.27Å
426	L	91.7	Very high	90.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-36.1	177.1	-166.9	65.5	0	0	0	111.5	L422 Q424 K429 S430 Y442 M445 A446	L422-L426 VanDerWaalsContact O-CB 3.25Å; L422-L426 WeakPolarHBondContact O-CB 3.46Å; L422-L426 PolarHBondContact O-N 3.3Å; Q424-L426 PolarHBondContact O-N 3.47Å; L426-K429 PolarHBondContact O-N 3.24Å; L426-S430 WeakPolarHBondContact O-CB 3.39Å; L426-S430 PolarHBondContact O-N 3.17Å; L426-Y442 HydrophobicContact CD1-CD2 3.48Å; L426-Y442 VanDerWaalsContact CD1-CD2 3.48Å; L426-Y442 HydrophobicContact CD1-CE2 3.74Å; L426-Y442 HydrophobicContact CD1-CG 4Å; L426-Y442 WeakPolarHBondContact CD2-O 3.23Å; L426-Y442 HydrophobicContact CG-CD2 4.16Å; L426-Y442 HydrophobicContact CG-CG 4.38Å; L426-M445 HydrophobicContact CD2-CB 3.51Å; L426-A446 HydrophobicContact CB-CB 4.33Å; L426-A446 HydrophobicContact CD2-CB 4.34Å
427	T	92.2	Very high	90.3	Very high	36 Å²	36	40.1 Å²	40.1	22%	0.221	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-41.2	172.7	-60.9	0	0	0	0	111.4	A423 Q424 E425 S430 L443 A446	A423-T427 WeakPolarHBondContact O-CB 2.92Å; A423-T427 PolarHBondContact O-N 2.91Å; A423-T427 PolarHBondContact O-OG1 3.11Å; Q424-T427 WeakPolarHBondContact O-CB 3.48Å; Q424-T427 PolarHBondContact O-N 2.84Å; E425-T427 VanDerWaalsContact C-N 3.3Å; E425-T427 PolarHBondContact O-N 3.45Å; T427-S430 WeakPolarHBondContact O-CB 3.34Å; T427-S430 PolarHBondContact O-N 2.9Å; T427-S430 PolarHBondContact O-OG 3.42Å; T427-L443 HydrophobicContact CG2-CD2 3.94Å; T427-A446 WeakPolarHBondContact OG1-CB 3.28Å
428	Q	90.3	Very high	90	Very high	81 Å²	81	41.6 Å²	41.6	38%	0.379	23%	0.234	S	C	.	.	H	α-helix	trans	-68.8	-44.2	175.3	-62.8	-58.6	-14.8	0	0	111.7	Q424 E425 S430 K431	Q424-Q428 VanDerWaalsContact NE2-NE2 3.1Å; Q424-Q428 WeakPolarHBondContact O-CG 3.41Å; Q424-Q428 PolarHBondContact O-N 2.58Å; E425-Q428 PolarHBondContact O-N 2.89Å; Q428-S430 PolarHBondContact O-N 3.47Å; Q428-K431 WeakPolarHBondContact O-CB 3.32Å; Q428-K431 PolarHBondContact O-N 3.31Å; Q428-K431 VanDerWaalsContact O-N 3.12Å
429	K	89.9	Confident	89.9	Confident	50 Å²	50	44.9 Å²	44.9	22%	0.217	25%	0.25	C	C	.	.	H	α-helix	trans	-57.1	-39.3	173.6	-77.8	-172.7	173.1	-174.7	0	111.5	D132 L136 E425 L426 K431 S432 V433 Y442	D132-K429 HydrophobicContact CB-CD 4.27Å; D132-K429 VanDerWaalsContact CG-NZ 3.33Å; D132-K429 IonicContact OD1-NZ 2.85Å; D132-K429 PolarHBondContact OD1-NZ 2.84Å; L136-K429 HydrophobicContact CD1-CD 4.45Å; E425-K429 PolarHBondContact O-N 3.27Å; L426-K429 PolarHBondContact O-N 3.24Å; K429-K431 PolarHBondContact O-N 3.5Å; K429-K431 VanDerWaalsContact O-N 3.13Å; K429-S432 PolarHBondContact O-N 3.2Å; K429-S432 PolarHBondContact O-OG 3.21Å; K429-V433 WeakPolarHBondContact O-CG2 3.47Å; K429-V433 PolarHBondContact O-N 2.91Å; K429-Y442 HydrophobicContact CB-CD2 4.5Å
430	S	90	Very high	89.8	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-56.5	-31.4	178.8	83	0	0	0	0	113.5	L426 T427 Q428 S432 V433 Q439 L443	L426-S430 WeakPolarHBondContact O-CB 3.39Å; L426-S430 PolarHBondContact O-N 3.17Å; T427-S430 WeakPolarHBondContact O-CB 3.34Å; T427-S430 PolarHBondContact O-N 2.9Å; T427-S430 PolarHBondContact O-OG 3.42Å; Q428-S430 PolarHBondContact O-N 3.47Å; S430-S432 VanDerWaalsContact C-N 3.33Å; S430-V433 PolarHBondContact O-N 3.3Å; S430-Q439 WeakPolarHBondContact O-CG 3.49Å; S430-L443 WeakPolarHBondContact OG-CD2 3.38Å
431	K	90.6	Very high	89.7	Confident	134 Å²	134	47.9 Å²	47.9	58%	0.583	27%	0.265	S	S	*	.	H	α-helix	trans	-73.3	-24.7	178.1	-61	175.2	-174.2	166.1	0	113.2	Q428 K429	Q428-K431 WeakPolarHBondContact O-CB 3.32Å; Q428-K431 PolarHBondContact O-N 3.31Å; Q428-K431 VanDerWaalsContact O-N 3.12Å; K429-K431 PolarHBondContact O-N 3.5Å; K429-K431 VanDerWaalsContact O-N 3.13Å
432	S	88.9	Confident	89.7	Confident	90 Å²	90	47.8 Å²	47.8	63%	0.629	26%	0.263	S	S	*	.	H	α-helix	trans	-86	-10.8	178.1	69.6	0	0	0	0	113.6	K429 S430	K429-S432 PolarHBondContact O-N 3.2Å; K429-S432 PolarHBondContact O-OG 3.21Å; S430-S432 VanDerWaalsContact C-N 3.33Å
433	V	86.9	Confident	89.7	Confident	29 Å²	29	50.7 Å²	50.7	18%	0.176	28%	0.278	C	S	.	.			trans	-86.3	125.1	-176.3	172.3	0	0	0	0	110.4	K429 S430 S435 Q438 Y442	K429-V433 WeakPolarHBondContact O-CG2 3.47Å; K429-V433 PolarHBondContact O-N 2.91Å; S430-V433 PolarHBondContact O-N 3.3Å; V433-S435 VanDerWaalsContact C-N 3.35Å; V433-S435 PolarHBondContact O-N 3.36Å; V433-Q438 HydrophobicContact CG1-CB 3.7Å; V433-Q438 VanDerWaalsContact CG1-CD 3.47Å; V433-Q438 HydrophobicContact CG1-CG 3.72Å; V433-Y442 HydrophobicContact CG2-CD2 4.47Å; V433-Y442 HydrophobicContact CG2-CE2 4.33Å
434	N	82.2	Confident	89.6	Confident	170 Å²	170	51 Å²	51	91%	0.909	28%	0.281	S	S	*	.	S	Bend	trans	-73.2	-21.5	-177.4	-65.5	-27.2	0	0	0	114.5
435	S	86.5	Confident	89.7	Confident	57 Å²	57	50.1 Å²	50.1	40%	0.399	28%	0.277	S	S	.	.			trans	-87.6	116.3	-177.9	-175.5	0	0	0	0	111.1	V433 V437 Q438 Q439	V433-S435 VanDerWaalsContact C-N 3.35Å; V433-S435 PolarHBondContact O-N 3.36Å; S435-V437 PolarHBondContact O-N 3.23Å; S435-Q438 PolarHBondContact O-N 3.2Å; S435-Q439 PolarHBondContact O-N 2.84Å
436	A	87	Confident	89.8	Confident	73 Å²	73	48.1 Å²	48.1	60%	0.603	27%	0.268	S	S	*	.	H	α-helix	trans	-55.7	-34.3	177.7	0	0	0	0	0	113.3	M440	A436-M440 WeakPolarHBondContact O-CB 3.41Å; A436-M440 PolarHBondContact O-N 2.92Å
437	V	85.4	Confident	89.9	Confident	37 Å²	37	53.7 Å²	53.7	22%	0.224	29%	0.294	C	S	.	.	H	α-helix	trans	-68.1	-47.7	176.8	177.8	0	0	0	0	110.7	V117 K121 S435 Q439 M440 V441	V117-V437 HydrophobicContact CG1-CG1 3.5Å; V117-V437 VanDerWaalsContact CG1-CG1 3.5Å; K121-V437 HydrophobicContact CB-CG1 4.07Å; K121-V437 HydrophobicContact CD-CG1 4.49Å; S435-V437 PolarHBondContact O-N 3.23Å; V437-Q439 VanDerWaalsContact C-N 3.33Å; V437-Q439 PolarHBondContact O-N 2.79Å; V437-M440 PolarHBondContact O-N 2.93Å; V437-V441 VanDerWaalsContact O-CG2 3.29Å; V437-V441 WeakPolarHBondContact O-CG2 2.86Å; V437-V441 PolarHBondContact O-N 2.92Å
438	Q	87.6	Confident	90	Very high	30 Å²	30	52 Å²	52	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-38.5	179.2	-173	-178.5	-13.8	0	0	111	V433 S435 V441 Y442	V433-Q438 HydrophobicContact CG1-CB 3.7Å; V433-Q438 VanDerWaalsContact CG1-CD 3.47Å; V433-Q438 HydrophobicContact CG1-CG 3.72Å; S435-Q438 PolarHBondContact O-N 3.2Å; Q438-V441 PolarHBondContact O-N 3.33Å; Q438-Y442 HydrophobicContact CG-CD1 3.81Å; Q438-Y442 HydrophobicContact CG-CE1 3.59Å; Q438-Y442 PolarHBondContact NE2-OH 2.88Å; Q438-Y442 WeakPolarHBondContact O-CB 3.26Å; Q438-Y442 VanDerWaalsContact O-CD1 3.28Å; Q438-Y442 WeakPolarHBondContact O-CD1 3.45Å; Q438-Y442 PolarHBondContact O-N 2.93Å
439	Q	91.4	Very high	90.2	Very high	73 Å²	73	48.1 Å²	48.1	34%	0.341	27%	0.265	S	S	.	.	H	α-helix	trans	-58.4	-47.8	173.5	-179.8	-179.3	20.3	0	0	111.6	S430 S435 V437 V441 Y442 L443	S430-Q439 WeakPolarHBondContact O-CG 3.49Å; S435-Q439 PolarHBondContact O-N 2.84Å; V437-Q439 VanDerWaalsContact C-N 3.33Å; V437-Q439 PolarHBondContact O-N 2.79Å; Q439-V441 VanDerWaalsContact C-N 3.32Å; Q439-V441 PolarHBondContact O-N 2.89Å; Q439-Y442 PolarHBondContact O-N 2.74Å; Q439-L443 HydrophobicContact CG-CD1 4.25Å; Q439-L443 WeakPolarHBondContact O-CG 3.44Å; Q439-L443 PolarHBondContact O-N 2.93Å
440	M	90.6	Very high	90.4	Very high	68 Å²	68	46.2 Å²	46.2	34%	0.335	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-44.1	177.5	-174.9	177.8	-63.8	0	0	111.5	K115 A436 V437 L443 A444	K115-M440 HydrophobicContact CD-CE 3.87Å; K115-M440 HydrophobicContact CD-SD 3.68Å; A436-M440 WeakPolarHBondContact O-CB 3.41Å; A436-M440 PolarHBondContact O-N 2.92Å; V437-M440 PolarHBondContact O-N 2.93Å; M440-L443 PolarHBondContact O-N 2.75Å; M440-A444 VanDerWaalsContact O-CB 3.31Å; M440-A444 WeakPolarHBondContact O-CB 3.39Å; M440-A444 PolarHBondContact O-N 2.82Å
441	V	91.5	Very high	90.5	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-68.4	-38.9	-179.9	177.9	0	0	0	0	111.7	I122 F126 V437 Q438 Q439 A444 M445	I122-V441 HydrophobicContact CG1-CG2 4.35Å; I122-V441 HydrophobicContact CG2-CG1 4.37Å; I122-V441 HydrophobicContact CG2-CG2 4.35Å; F126-V441 HydrophobicContact CD1-CG1 3.3Å; F126-V441 HydrophobicContact CE1-CG1 3.38Å; F126-V441 HydrophobicContact CG-CG1 4.49Å; V437-V441 VanDerWaalsContact O-CG2 3.29Å; V437-V441 WeakPolarHBondContact O-CG2 2.86Å; V437-V441 PolarHBondContact O-N 2.92Å; Q438-V441 PolarHBondContact O-N 3.33Å; Q439-V441 VanDerWaalsContact C-N 3.32Å; Q439-V441 PolarHBondContact O-N 2.89Å; V441-A444 VanDerWaalsContact O-CB 3.3Å; V441-A444 WeakPolarHBondContact O-CB 2.85Å; V441-A444 PolarHBondContact O-N 2.6Å; V441-M445 HydrophobicContact CG1-CG 4.48Å; V441-M445 HydrophobicContact CG1-SD 4.44Å; V441-M445 WeakPolarHBondContact O-CG 3.12Å; V441-M445 PolarHBondContact O-N 2.84Å
442	Y	92.7	Very high	90.6	Very high	4 Å²	4	40 Å²	40	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-42.9	176.5	-86.8	37	0	0	0	111.7	S125 K128 G129 D132 L426 K429 V433 Q438 Q439 A444 M445 A446	S125-Y442 WeakPolarHBondContact O-CE1 3.46Å; K128-Y442 VanDerWaalsContact CB-OH 3.32Å; K128-Y442 WeakPolarHBondContact CB-OH 3.32Å; G129-Y442 PolarHBondContact N-OH 3.28Å; D132-Y442 PolarHBondContact OD2-OH 2.86Å; L426-Y442 HydrophobicContact CD1-CD2 3.48Å; L426-Y442 VanDerWaalsContact CD1-CD2 3.48Å; L426-Y442 HydrophobicContact CD1-CE2 3.74Å; L426-Y442 HydrophobicContact CD1-CG 4Å; L426-Y442 WeakPolarHBondContact CD2-O 3.23Å; L426-Y442 HydrophobicContact CG-CD2 4.16Å; L426-Y442 HydrophobicContact CG-CG 4.38Å; K429-Y442 HydrophobicContact CB-CD2 4.5Å; V433-Y442 HydrophobicContact CG2-CD2 4.47Å; V433-Y442 HydrophobicContact CG2-CE2 4.33Å; Q438-Y442 HydrophobicContact CG-CD1 3.81Å; Q438-Y442 HydrophobicContact CG-CE1 3.59Å; Q438-Y442 PolarHBondContact NE2-OH 2.88Å; Q438-Y442 WeakPolarHBondContact O-CB 3.26Å; Q438-Y442 VanDerWaalsContact O-CD1 3.28Å; Q438-Y442 WeakPolarHBondContact O-CD1 3.45Å; Q438-Y442 PolarHBondContact O-N 2.93Å; Q439-Y442 PolarHBondContact O-N 2.74Å; Y442-A444 VanDerWaalsContact C-N 3.31Å; Y442-A444 PolarHBondContact O-N 3.41Å; Y442-M445 PolarHBondContact O-N 3.21Å; Y442-A446 WeakPolarHBondContact O-CB 3.32Å; Y442-A446 PolarHBondContact O-N 2.9Å
443	L	92.6	Very high	90.9	Very high	62 Å²	62	35.8 Å²	35.8	33%	0.325	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-40.1	174.2	-71.6	172.4	0	0	0	111.6	T427 S430 Q439 M440 A446 Q447	T427-L443 HydrophobicContact CG2-CD2 3.94Å; S430-L443 WeakPolarHBondContact OG-CD2 3.38Å; Q439-L443 HydrophobicContact CG-CD1 4.25Å; Q439-L443 WeakPolarHBondContact O-CG 3.44Å; Q439-L443 PolarHBondContact O-N 2.93Å; M440-L443 PolarHBondContact O-N 2.75Å; L443-A446 PolarHBondContact O-N 3.02Å; L443-Q447 WeakPolarHBondContact O-CG 3.36Å; L443-Q447 PolarHBondContact O-N 3.13Å
444	A	92.1	Very high	91.2	Very high	9 Å²	9	39 Å²	39	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-49.9	173.4	0	0	0	0	0	112.3	V108 M440 V441 Y442 A446 Q447 A448	V108-A444 HydrophobicContact CB-CB 4.37Å; V108-A444 VanDerWaalsContact CG1-CA 3.48Å; V108-A444 HydrophobicContact CG1-CB 3.24Å; V108-A444 WeakPolarHBondContact CG1-O 3.35Å; M440-A444 VanDerWaalsContact O-CB 3.31Å; M440-A444 WeakPolarHBondContact O-CB 3.39Å; M440-A444 PolarHBondContact O-N 2.82Å; V441-A444 VanDerWaalsContact O-CB 3.3Å; V441-A444 WeakPolarHBondContact O-CB 2.85Å; V441-A444 PolarHBondContact O-N 2.6Å; Y442-A444 VanDerWaalsContact C-N 3.31Å; Y442-A444 PolarHBondContact O-N 3.41Å; A444-A446 VanDerWaalsContact C-N 3.31Å; A444-A446 PolarHBondContact O-N 3.32Å; A444-Q447 PolarHBondContact O-N 2.87Å; A444-A448 PolarHBondContact O-N 2.82Å
445	M	93.5	Very high	91.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-41.5	176.2	-71.9	177.9	77.6	0	0	111.9	M105 F126 M133 L426 V441 Y442 Q447 A448 L449 I517	M105-M445 HydrophobicContact SD-CB 4.39Å; M105-M445 HydrophobicContact SD-CG 4.15Å; F126-M445 HydrophobicContact CD1-CE 4.32Å; F126-M445 HydrophobicContact CD1-CG 3.57Å; F126-M445 HydrophobicContact CD1-SD 3.44Å; F126-M445 WeakPolarHBondContact CD1-SD 3.49Å; F126-M445 HydrophobicContact CE1-CG 3.44Å; F126-M445 VanDerWaalsContact CE1-CG 3.44Å; F126-M445 HydrophobicContact CE1-SD 3.99Å; F126-M445 HydrophobicContact CG-SD 4.3Å; F126-M445 HydrophobicContact CZ-CG 4.48Å; M133-M445 HydrophobicContact CE-CE 3.6Å; L426-M445 HydrophobicContact CD2-CB 3.51Å; V441-M445 HydrophobicContact CG1-CG 4.48Å; V441-M445 HydrophobicContact CG1-SD 4.44Å; V441-M445 WeakPolarHBondContact O-CG 3.12Å; V441-M445 PolarHBondContact O-N 2.84Å; Y442-M445 PolarHBondContact O-N 3.21Å; M445-Q447 VanDerWaalsContact C-N 3.31Å; M445-Q447 PolarHBondContact O-N 2.96Å; M445-A448 WeakPolarHBondContact O-CB 3.39Å; M445-A448 PolarHBondContact O-N 3.46Å; M445-A448 VanDerWaalsContact O-N 3.16Å; M445-L449 WeakPolarHBondContact O-CG 3.37Å; M445-L449 PolarHBondContact O-N 3.42Å; M445-I517 HydrophobicContact CE-CD1 3.71Å; M445-I517 HydrophobicContact CE-CG1 4.4Å
446	A	93.3	Very high	91.9	Very high	2 Å²	2	29 Å²	29	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-42.2	177.1	0	0	0	0	0	111.5	A423 L426 T427 Y442 L443 A444 L449	A423-A446 HydrophobicContact CB-CB 4.25Å; A423-A446 VanDerWaalsContact CB-O 3.27Å; A423-A446 WeakPolarHBondContact CB-O 2.86Å; A423-A446 WeakPolarHBondContact O-CB 3.45Å; L426-A446 HydrophobicContact CB-CB 4.33Å; L426-A446 HydrophobicContact CD2-CB 4.34Å; T427-A446 WeakPolarHBondContact OG1-CB 3.28Å; Y442-A446 WeakPolarHBondContact O-CB 3.32Å; Y442-A446 PolarHBondContact O-N 2.9Å; L443-A446 PolarHBondContact O-N 3.02Å; A444-A446 VanDerWaalsContact C-N 3.31Å; A444-A446 PolarHBondContact O-N 3.32Å; A446-L449 PolarHBondContact O-N 2.93Å
447	Q	92.9	Very high	92.2	Very high	118 Å²	118	25.6 Å²	25.6	55%	0.551	12%	0.123	S	C	*	.	H	α-helix	trans	-65.2	-38.6	174.7	-70.9	176.2	-5.6	0	0	112.6	L443 A444 M445 L449 E450	L443-Q447 WeakPolarHBondContact O-CG 3.36Å; L443-Q447 PolarHBondContact O-N 3.13Å; A444-Q447 PolarHBondContact O-N 2.87Å; M445-Q447 VanDerWaalsContact C-N 3.31Å; M445-Q447 PolarHBondContact O-N 2.96Å; Q447-L449 VanDerWaalsContact C-N 3.33Å; Q447-L449 PolarHBondContact O-N 3.49Å; Q447-E450 WeakPolarHBondContact O-CB 3.45Å; Q447-E450 PolarHBondContact O-N 3.19Å
448	A	94.4	Very high	92.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-36.8	178.7	0	0	0	0	0	112.3	E104 M105 V108 A444 M445 E450 V451	E104-A448 HydrophobicContact CB-CB 4.42Å; E104-A448 HydrophobicContact CG-CB 4.03Å; M105-A448 HydrophobicContact CE-CB 3.61Å; M105-A448 HydrophobicContact CG-CB 4.26Å; M105-A448 HydrophobicContact SD-CB 3.58Å; M105-A448 VanDerWaalsContact SD-CB 3.58Å; V108-A448 HydrophobicContact CG2-CB 3.95Å; A444-A448 PolarHBondContact O-N 2.82Å; M445-A448 WeakPolarHBondContact O-CB 3.39Å; M445-A448 PolarHBondContact O-N 3.46Å; M445-A448 VanDerWaalsContact O-N 3.16Å; A448-E450 PolarHBondContact O-N 3.18Å; A448-V451 VanDerWaalsContact O-CB 3.3Å; A448-V451 WeakPolarHBondContact O-CB 3.26Å; A448-V451 WeakPolarHBondContact O-CG1 3.5Å; A448-V451 PolarHBondContact O-N 3.39Å; A448-V451 VanDerWaalsContact O-N 3.15Å
449	L	94	Very high	92.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-30.6	176.7	-67.9	169.9	0	0	0	112.8	L101 M105 M133 E419 L422 A423 M445 A446 Q447 V451 L513	L101-L449 HydrophobicContact CD2-CD2 4.3Å; M105-L449 HydrophobicContact CE-CD2 3.9Å; M105-L449 HydrophobicContact CE-CG 4.04Å; M133-L449 HydrophobicContact SD-CD1 3.64Å; M133-L449 HydrophobicContact SD-CD2 4.32Å; E419-L449 HydrophobicContact CB-CB 4.44Å; E419-L449 WeakPolarHBondContact CB-O 3.29Å; L422-L449 HydrophobicContact CB-CD1 3.96Å; A423-L449 HydrophobicContact CB-CB 4.18Å; A423-L449 HydrophobicContact CB-CD1 4.36Å; M445-L449 WeakPolarHBondContact O-CG 3.37Å; M445-L449 PolarHBondContact O-N 3.42Å; A446-L449 PolarHBondContact O-N 2.93Å; Q447-L449 VanDerWaalsContact C-N 3.33Å; Q447-L449 PolarHBondContact O-N 3.49Å; L449-V451 PolarHBondContact O-N 2.86Å; L449-L513 HydrophobicContact CD2-CD2 3.68Å
450	E	93.7	Very high	92.5	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.047	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.9	177.8	-61	-176.4	-172.2	0	0	113.6	M420 A423 Q447 A448 I452 P453 R454 R472	M420-E450 HydrophobicContact CE-CG 3.96Å; M420-E450 HydrophobicContact SD-CG 4.19Å; A423-E450 HydrophobicContact CB-CG 4.35Å; Q447-E450 WeakPolarHBondContact O-CB 3.45Å; Q447-E450 PolarHBondContact O-N 3.19Å; A448-E450 PolarHBondContact O-N 3.18Å; E450-I452 PolarHBondContact O-N 3.23Å; E450-P453 WeakPolarHBondContact O-CD 3.48Å; E450-P453 WeakPolarHBondContact O-CG 3.38Å; E450-R454 WeakPolarHBondContact O-CB 3.49Å; E450-R454 PolarHBondContact O-N 3.36Å; E450-R454 VanDerWaalsContact O-N 3.08Å; E450-R454 IonicContact OE2-NH2 3.33Å; E450-R472 IonicContact OE1-CZ 3.59Å; E450-R472 IonicContact OE1-NE 3.84Å; E450-R472 PolarHBondContact OE1-NE 3.06Å; E450-R472 IonicContact OE1-NH2 2.66Å; E450-R472 PolarHBondContact OE1-NH2 2.72Å; E450-R472 IonicContact OE2-CZ 3.83Å; E450-R472 IonicContact OE2-NE 2.68Å; E450-R472 IonicContact OE2-NH2 3.14Å; E450-R472 PolarHBondContact OE2-NH2 3.23Å
451	V	93.6	Very high	92.4	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-32.4	179.1	75.6	0	0	0	0	112.7	I100 L101 E104 A448 L449 T455	I100-V451 HydrophobicContact CG2-CG1 3.88Å; I100-V451 HydrophobicContact CG2-CG2 3.89Å; L101-V451 HydrophobicContact CD2-CG1 3.83Å; E104-V451 HydrophobicContact CB-CB 4.14Å; E104-V451 HydrophobicContact CB-CG1 4.04Å; E104-V451 HydrophobicContact CB-CG2 4.18Å; E104-V451 HydrophobicContact CG-CB 3.85Å; E104-V451 HydrophobicContact CG-CG1 4.26Å; E104-V451 HydrophobicContact CG-CG2 3.99Å; A448-V451 VanDerWaalsContact O-CB 3.3Å; A448-V451 WeakPolarHBondContact O-CB 3.26Å; A448-V451 WeakPolarHBondContact O-CG1 3.5Å; A448-V451 PolarHBondContact O-N 3.39Å; A448-V451 VanDerWaalsContact O-N 3.15Å; L449-V451 PolarHBondContact O-N 2.86Å; V451-T455 WeakPolarHBondContact O-CB 3.35Å; V451-T455 PolarHBondContact O-N 3.44Å; V451-T455 PolarHBondContact O-OG1 2.91Å
452	I	92.9	Very high	92.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-59.6	-179.3	-63.3	-60	0	0	0	111.1	L41 I100 L101 E419 E450 R454 T455 L456	L41-I452 HydrophobicContact CD2-CD1 3.84Å; L41-I452 HydrophobicContact CD2-CG2 4.34Å; I100-I452 HydrophobicContact CG2-CD1 4.36Å; L101-I452 HydrophobicContact CD1-CD1 4.41Å; L101-I452 HydrophobicContact CD1-CG1 4.28Å; L101-I452 HydrophobicContact CD2-CD1 4.41Å; L101-I452 HydrophobicContact CD2-CG1 3.95Å; L101-I452 HydrophobicContact CG-CD1 4.04Å; L101-I452 HydrophobicContact CG-CG1 4.05Å; E419-I452 HydrophobicContact CG-CB 4.07Å; E419-I452 HydrophobicContact CG-CG1 4.09Å; E419-I452 HydrophobicContact CG-CG2 4.38Å; E450-I452 PolarHBondContact O-N 3.23Å; I452-R454 PolarHBondContact O-N 2.94Å; I452-T455 PolarHBondContact O-N 3.37Å; I452-T455 VanDerWaalsContact O-N 3.15Å; I452-L456 HydrophobicContact CG2-CD1 4.36Å; I452-L456 WeakPolarHBondContact O-CG 3.31Å; I452-L456 PolarHBondContact O-N 3.08Å
453	P	93.3	Very high	92.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-32.8	176	22	-31.9	0	0	0	112.3	M420 E450 L456 A457 I468 L471 V487	M420-P453 HydrophobicContact CE-CG 4.21Å; E450-P453 WeakPolarHBondContact O-CD 3.48Å; E450-P453 WeakPolarHBondContact O-CG 3.38Å; P453-L456 PolarHBondContact O-N 3.44Å; P453-A457 WeakPolarHBondContact O-CB 3.4Å; P453-A457 PolarHBondContact O-N 2.94Å; P453-I468 HydrophobicContact CB-CD1 3.85Å; P453-I468 HydrophobicContact CG-CD1 4.15Å; P453-L471 HydrophobicContact CB-CD2 4.12Å; P453-V487 HydrophobicContact CB-CG2 3.77Å
454	R	93.7	Very high	92.1	Very high	96 Å²	96	32.5 Å²	32.5	36%	0.362	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-43.8	175.6	-175	-173.4	-61.2	-90.1	-4.5	112	E450 I452 A457 K458 V464 I468	E450-R454 WeakPolarHBondContact O-CB 3.49Å; E450-R454 PolarHBondContact O-N 3.36Å; E450-R454 VanDerWaalsContact O-N 3.08Å; E450-R454 IonicContact OE2-NH2 3.33Å; I452-R454 PolarHBondContact O-N 2.94Å; R454-A457 PolarHBondContact O-N 3.18Å; R454-K458 WeakPolarHBondContact O-CB 3.07Å; R454-K458 PolarHBondContact O-N 3.28Å; R454-V464 HydrophobicContact CB-CG1 4.32Å; R454-V464 HydrophobicContact CG-CG1 3.44Å; R454-V464 VanDerWaalsContact CG-CG1 3.44Å; R454-I468 HydrophobicContact CB-CD1 4.27Å; R454-I468 HydrophobicContact CB-CG1 4.37Å
455	T	93	Very high	92	Very high	4 Å²	4	38 Å²	38	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-41.9	179	-60.8	0	0	0	0	110.8	R38 L41 V451 I452 A457 K458 N459	R38-T455 HydrophobicContact CG-CG2 3.54Å; R38-T455 WeakPolarHBondContact O-CG2 3.4Å; L41-T455 HydrophobicContact CB-CG2 4.05Å; L41-T455 HydrophobicContact CD2-CG2 3.84Å; V451-T455 WeakPolarHBondContact O-CB 3.35Å; V451-T455 PolarHBondContact O-N 3.44Å; V451-T455 PolarHBondContact O-OG1 2.91Å; I452-T455 PolarHBondContact O-N 3.37Å; I452-T455 VanDerWaalsContact O-N 3.15Å; T455-A457 PolarHBondContact O-N 2.83Å; T455-K458 PolarHBondContact O-N 3.4Å; T455-N459 PolarHBondContact O-N 2.99Å
456	L	91.9	Very high	92	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.079	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-49.3	172.5	-68.8	175.6	0	0	0	111.1	L41 G42 I452 P453 K458 N459 C460	L41-L456 HydrophobicContact CD2-CD2 4.46Å; L41-L456 HydrophobicContact CG-CD2 4.18Å; G42-L456 VanDerWaalsContact CA-CD2 3.42Å; I452-L456 HydrophobicContact CG2-CD1 4.36Å; I452-L456 WeakPolarHBondContact O-CG 3.31Å; I452-L456 PolarHBondContact O-N 3.08Å; P453-L456 PolarHBondContact O-N 3.44Å; L456-K458 VanDerWaalsContact C-N 3.31Å; L456-K458 PolarHBondContact O-N 3.3Å; L456-N459 PolarHBondContact O-N 3.42Å; L456-C460 PolarHBondContact O-N 2.96Å; L456-C460 PolarHBondContact O-SG 3Å
457	A	92.3	Very high	91.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-38.3	177.8	0	0	0	0	0	112.6	P453 R454 T455 C460 G461 A462 V464 L467 V487	P453-A457 WeakPolarHBondContact O-CB 3.4Å; P453-A457 PolarHBondContact O-N 2.94Å; R454-A457 PolarHBondContact O-N 3.18Å; T455-A457 PolarHBondContact O-N 2.83Å; A457-C460 PolarHBondContact O-N 2.85Å; A457-G461 PolarHBondContact O-N 2.82Å; A457-A462 PolarHBondContact O-N 3.35Å; A457-A462 VanDerWaalsContact O-N 3.1Å; A457-V464 HydrophobicContact CB-CG2 4.19Å; A457-L467 HydrophobicContact CB-CD1 4.32Å; A457-L467 HydrophobicContact CB-CD2 4.46Å; A457-V487 HydrophobicContact CB-CG1 4.39Å
458	K	92.6	Very high	91.9	Very high	135 Å²	135	41.8 Å²	41.8	59%	0.587	22%	0.217	S	C	*	.	H	α-helix	trans	-64.5	-46.7	176.6	-170.8	-180	-179.3	-176.9	0	111.4	R454 T455 L456 C460 G461 V464	R454-K458 WeakPolarHBondContact O-CB 3.07Å; R454-K458 PolarHBondContact O-N 3.28Å; T455-K458 PolarHBondContact O-N 3.4Å; L456-K458 VanDerWaalsContact C-N 3.31Å; L456-K458 PolarHBondContact O-N 3.3Å; K458-C460 PolarHBondContact O-N 2.65Å; K458-G461 PolarHBondContact O-N 3.13Å; K458-G461 VanDerWaalsContact O-N 3.09Å; K458-V464 HydrophobicContact CB-CG2 4Å
459	N	91.2	Very high	91.8	Very high	31 Å²	31	45.6 Å²	45.6	17%	0.166	24%	0.241	C	C	.	.	H	α-helix	trans	-68.8	-24.1	179.8	-66	-12.6	0	0	0	112.2	R38 L41 T455 L456 G461	R38-N459 PolarHBondContact O-ND2 2.84Å; R38-N459 VanDerWaalsContact O-ND2 3.14Å; L41-N459 PolarHBondContact O-ND2 3.46Å; T455-N459 PolarHBondContact O-N 2.99Å; L456-N459 PolarHBondContact O-N 3.42Å; N459-G461 VanDerWaalsContact C-N 3.31Å
460	C	87.5	Confident	91.7	Very high	16 Å²	16	49.4 Å²	49.4	11%	0.108	26%	0.259	C	S	.	.	H	α-helix	trans	-72.3	-21.4	171.5	-64	0	0	0	0	114.2	R44 L456 A457 K458 A462 G489	R44-C460 PolarHBondContact NH1-O 2.9Å; L456-C460 PolarHBondContact O-N 2.96Å; L456-C460 PolarHBondContact O-SG 3Å; A457-C460 PolarHBondContact O-N 2.85Å; K458-C460 PolarHBondContact O-N 2.65Å; C460-A462 HydrophobicContact CB-CB 4.37Å; C460-G489 WeakPolarHBondContact SG-CA 3.13Å; C460-G489 PolarHBondContact SG-O 3.41Å
461	G	88.6	Confident	91.6	Very high	69 Å²	69	48.9 Å²	48.9	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	15.9	-166.8	0	0	0	0	0	114.4	A457 K458 N459	A457-G461 PolarHBondContact O-N 2.82Å; K458-G461 PolarHBondContact O-N 3.13Å; K458-G461 VanDerWaalsContact O-N 3.09Å; N459-G461 VanDerWaalsContact C-N 3.31Å
462	A	87.9	Confident	91.4	Very high	27 Å²	27	53.6 Å²	53.6	22%	0.223	27%	0.274	C	S	.	.			trans	-79.6	162.1	178.6	0	0	0	0	0	112	A457 C460 V464 L467	A457-A462 PolarHBondContact O-N 3.35Å; A457-A462 VanDerWaalsContact O-N 3.1Å; C460-A462 HydrophobicContact CB-CB 4.37Å; A462-V464 PolarHBondContact O-N 3.46Å; A462-L467 HydrophobicContact CB-CD1 4.23Å
463	N	90.5	Very high	91.4	Very high	110 Å²	110	56 Å²	56	59%	0.588	30%	0.295	S	S	*	.			trans	-72.4	96.2	171.7	-172.7	-34.3	0	0	0	110.1	L465 R466 L467	N463-L465 VanDerWaalsContact C-N 3.34Å; N463-L465 PolarHBondContact O-N 3.09Å; N463-L465 PolarHBondContact OD1-N 3.26Å; N463-R466 HydrophobicContact CB-CB 4.42Å; N463-R466 PolarHBondContact O-N 3.43Å; N463-R466 PolarHBondContact OD1-N 2.58Å; N463-L467 WeakPolarHBondContact O-CB 3.44Å; N463-L467 PolarHBondContact O-N 2.92Å; N463-L467 VanDerWaalsContact O-N 3.09Å
464	V	90.8	Very high	91.2	Very high	34 Å²	34	59.6 Å²	59.6	21%	0.206	31%	0.308	C	S	.	.	H	α-helix	trans	-55.1	-44.8	-174.9	-177.2	0	0	0	0	112.5	R454 A457 K458 A462 L467 I468	R454-V464 HydrophobicContact CB-CG1 4.32Å; R454-V464 HydrophobicContact CG-CG1 3.44Å; R454-V464 VanDerWaalsContact CG-CG1 3.44Å; A457-V464 HydrophobicContact CB-CG2 4.19Å; K458-V464 HydrophobicContact CB-CG2 4Å; A462-V464 PolarHBondContact O-N 3.46Å; V464-L467 PolarHBondContact O-N 2.91Å; V464-I468 HydrophobicContact CG1-CG1 4.23Å; V464-I468 WeakPolarHBondContact O-CB 3.44Å; V464-I468 VanDerWaalsContact O-CG1 3.27Å; V464-I468 WeakPolarHBondContact O-CG1 3.2Å; V464-I468 PolarHBondContact O-N 3.26Å
465	L	90.9	Very high	91	Very high	125 Å²	125	55.2 Å²	55.2	65%	0.654	29%	0.291	S	S	*	.	H	α-helix	trans	-66	-47.7	-174.5	-178.1	63.6	0	0	0	111.5	N463 T469	N463-L465 VanDerWaalsContact C-N 3.34Å; N463-L465 PolarHBondContact O-N 3.09Å; N463-L465 PolarHBondContact OD1-N 3.26Å; L465-T469 WeakPolarHBondContact O-CB 3.03Å; L465-T469 PolarHBondContact O-N 3.15Å; L465-T469 VanDerWaalsContact O-N 3.12Å; L465-T469 PolarHBondContact O-OG1 2.93Å
466	R	92.6	Very high	90.8	Very high	182 Å²	182	57.3 Å²	57.3	69%	0.687	31%	0.31	S	S	*	.	H	α-helix	trans	-62.7	-45.6	179	-177.9	177.1	172.7	167.5	-0.1	111	N463 T469 E470	N463-R466 HydrophobicContact CB-CB 4.42Å; N463-R466 PolarHBondContact O-N 3.43Å; N463-R466 PolarHBondContact OD1-N 2.58Å; R466-T469 PolarHBondContact O-N 2.91Å; R466-E470 WeakPolarHBondContact O-CB 3.37Å; R466-E470 PolarHBondContact O-N 2.91Å
467	L	91.4	Very high	90.7	Very high	11 Å²	11	62 Å²	62	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-48.2	-176.4	-165.8	154.7	0	0	0	111.9	A457 A462 N463 V464 T469 E470 L471 V487 G492 I494	A457-L467 HydrophobicContact CB-CD1 4.32Å; A457-L467 HydrophobicContact CB-CD2 4.46Å; A462-L467 HydrophobicContact CB-CD1 4.23Å; N463-L467 WeakPolarHBondContact O-CB 3.44Å; N463-L467 PolarHBondContact O-N 2.92Å; N463-L467 VanDerWaalsContact O-N 3.09Å; V464-L467 PolarHBondContact O-N 2.91Å; L467-T469 VanDerWaalsContact C-N 3.32Å; L467-T469 PolarHBondContact O-N 3.01Å; L467-E470 PolarHBondContact O-N 2.95Å; L467-L471 VanDerWaalsContact O-CB 3.26Å; L467-L471 WeakPolarHBondContact O-CB 3.44Å; L467-L471 PolarHBondContact O-N 2.8Å; L467-V487 HydrophobicContact CD1-CG1 3.96Å; L467-V487 HydrophobicContact CD2-CB 4.32Å; L467-V487 HydrophobicContact CD2-CG1 3.97Å; L467-V487 HydrophobicContact CD2-CG2 3.46Å; L467-V487 VanDerWaalsContact CD2-CG2 3.46Å; L467-G492 WeakPolarHBondContact CD1-O 3.06Å; L467-I494 HydrophobicContact CD2-CG1 4.01Å; L467-I494 HydrophobicContact CG-CD1 4.35Å; L467-I494 HydrophobicContact CG-CG1 3.94Å
468	I	92.6	Very high	90.2	Very high	5 Å²	5	65 Å²	65	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-65.8	-37.7	179.8	-64.5	-63.6	0	0	0	111.4	M420 P453 R454 V464 L471 R472	M420-I468 HydrophobicContact CE-CD1 4.48Å; M420-I468 HydrophobicContact CE-CG2 4.29Å; P453-I468 HydrophobicContact CB-CD1 3.85Å; P453-I468 HydrophobicContact CG-CD1 4.15Å; R454-I468 HydrophobicContact CB-CD1 4.27Å; R454-I468 HydrophobicContact CB-CG1 4.37Å; V464-I468 HydrophobicContact CG1-CG1 4.23Å; V464-I468 WeakPolarHBondContact O-CB 3.44Å; V464-I468 VanDerWaalsContact O-CG1 3.27Å; V464-I468 WeakPolarHBondContact O-CG1 3.2Å; V464-I468 PolarHBondContact O-N 3.26Å; I468-L471 PolarHBondContact O-N 2.91Å; I468-R472 VanDerWaalsContact O-CB 3.31Å; I468-R472 WeakPolarHBondContact O-CB 3.42Å; I468-R472 PolarHBondContact O-N 2.88Å
469	T	92.8	Very high	89.5	Confident	81 Å²	81	60.9 Å²	60.9	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-45.7	176.8	-55.1	0	0	0	0	111.4	L465 R466 L467 A473	L465-T469 WeakPolarHBondContact O-CB 3.03Å; L465-T469 PolarHBondContact O-N 3.15Å; L465-T469 VanDerWaalsContact O-N 3.12Å; L465-T469 PolarHBondContact O-OG1 2.93Å; R466-T469 PolarHBondContact O-N 2.91Å; L467-T469 VanDerWaalsContact C-N 3.32Å; L467-T469 PolarHBondContact O-N 3.01Å; T469-A473 WeakPolarHBondContact O-CB 3.49Å; T469-A473 PolarHBondContact O-N 3.49Å
470	E	91.7	Very high	88.8	Confident	79 Å²	79	63.3 Å²	63.3	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-41.3	176.8	-173.5	-178.8	166.4	0	0	111.8	R466 L467 A473 R474 I494	R466-E470 WeakPolarHBondContact O-CB 3.37Å; R466-E470 PolarHBondContact O-N 2.91Å; L467-E470 PolarHBondContact O-N 2.95Å; E470-A473 PolarHBondContact O-N 3.47Å; E470-R474 WeakPolarHBondContact O-CG 3.49Å; E470-R474 PolarHBondContact O-N 2.91Å; E470-R474 IonicContact OE1-CZ 3.51Å; E470-R474 IonicContact OE1-NE 3.56Å; E470-R474 IonicContact OE1-NH2 2.71Å; E470-R474 PolarHBondContact OE1-NH2 3.12Å; E470-I494 HydrophobicContact CB-CD1 3.69Å; E470-I494 HydrophobicContact CG-CD1 3.63Å
471	L	91.5	Very high	88.3	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-45.3	178	-170.7	66	0	0	0	111.3	M420 P453 L467 I468 A473 R474 H475 F485 V487 I494	M420-L471 HydrophobicContact CE-CB 4.44Å; M420-L471 HydrophobicContact CE-CD2 3.82Å; M420-L471 HydrophobicContact CE-CG 4.16Å; M420-L471 HydrophobicContact CG-CD2 4.37Å; M420-L471 HydrophobicContact CG-CG 4.2Å; P453-L471 HydrophobicContact CB-CD2 4.12Å; L467-L471 VanDerWaalsContact O-CB 3.26Å; L467-L471 WeakPolarHBondContact O-CB 3.44Å; L467-L471 PolarHBondContact O-N 2.8Å; I468-L471 PolarHBondContact O-N 2.91Å; L471-A473 VanDerWaalsContact C-N 3.35Å; L471-A473 PolarHBondContact O-N 2.84Å; L471-R474 PolarHBondContact O-N 2.83Å; L471-H475 PolarHBondContact O-N 3.32Å; L471-H475 VanDerWaalsContact O-N 3.1Å; L471-H475 PolarHBondContact O-ND1 3.06Å; L471-F485 HydrophobicContact CD1-CB 4.36Å; L471-V487 HydrophobicContact CD2-CG2 3.86Å; L471-I494 HydrophobicContact CB-CD1 4Å; L471-I494 HydrophobicContact CB-CG1 4.47Å; L471-I494 HydrophobicContact CD1-CD1 4.38Å; L471-I494 HydrophobicContact CD1-CG1 4.22Å; L471-I494 HydrophobicContact CD1-CG2 3.61Å
472	R	90.7	Very high	87.9	Confident	102 Å²	102	68.4 Å²	68.4	39%	0.385	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.9	-169.9	-171.7	-70.2	162.9	-6.9	111.5	M420 E450 I468 R474 H475 A476	M420-R472 HydrophobicContact SD-CB 4.28Å; M420-R472 HydrophobicContact SD-CG 4.49Å; E450-R472 IonicContact OE1-CZ 3.59Å; E450-R472 IonicContact OE1-NE 3.84Å; E450-R472 PolarHBondContact OE1-NE 3.06Å; E450-R472 IonicContact OE1-NH2 2.66Å; E450-R472 PolarHBondContact OE1-NH2 2.72Å; E450-R472 IonicContact OE2-CZ 3.83Å; E450-R472 IonicContact OE2-NE 2.68Å; E450-R472 IonicContact OE2-NH2 3.14Å; E450-R472 PolarHBondContact OE2-NH2 3.23Å; I468-R472 VanDerWaalsContact O-CB 3.31Å; I468-R472 WeakPolarHBondContact O-CB 3.42Å; I468-R472 PolarHBondContact O-N 2.88Å; R472-R474 PolarHBondContact O-N 3.39Å; R472-H475 PolarHBondContact O-N 3.01Å; R472-A476 WeakPolarHBondContact O-CB 3.31Å; R472-A476 PolarHBondContact O-N 2.97Å
473	A	91.6	Very high	87.8	Confident	55 Å²	55	69 Å²	69	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-41.3	177.5	0	0	0	0	0	112.4	T469 E470 L471 A476 T477	T469-A473 WeakPolarHBondContact O-CB 3.49Å; T469-A473 PolarHBondContact O-N 3.49Å; E470-A473 PolarHBondContact O-N 3.47Å; L471-A473 VanDerWaalsContact C-N 3.35Å; L471-A473 PolarHBondContact O-N 2.84Å; A473-A476 PolarHBondContact O-N 3.42Å; A473-T477 PolarHBondContact O-N 3.21Å; A473-T477 VanDerWaalsContact O-N 3.11Å; A473-T477 PolarHBondContact O-OG1 3.3Å
474	R	89.9	Confident	87.7	Confident	75 Å²	75	64.2 Å²	64.2	28%	0.283	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-47.8	176.3	-69.1	-176.3	-171.3	-162	4.4	112	E470 L471 R472 A476 T477 Y482	E470-R474 WeakPolarHBondContact O-CG 3.49Å; E470-R474 PolarHBondContact O-N 2.91Å; E470-R474 IonicContact OE1-CZ 3.51Å; E470-R474 IonicContact OE1-NE 3.56Å; E470-R474 IonicContact OE1-NH2 2.71Å; E470-R474 PolarHBondContact OE1-NH2 3.12Å; L471-R474 PolarHBondContact O-N 2.83Å; R472-R474 PolarHBondContact O-N 3.39Å; R474-A476 VanDerWaalsContact C-N 3.26Å; R474-A476 PolarHBondContact O-N 3.48Å; R474-T477 PolarHBondContact O-N 2.92Å; R474-Y482 WeakPolarHBondContact O-CB 3.32Å; R474-Y482 WeakPolarHBondContact O-CD2 2.98Å
475	H	89.4	Confident	87.7	Confident	3 Å²	3	64 Å²	64	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-31.4	177.3	-73.6	75.9	0	0	0	112.9	M420 L471 R472 Y482 F485	M420-H475 HydrophobicContact CG-CB 4.16Å; M420-H475 WeakPolarHBondContact CG-ND1 3.45Å; L471-H475 PolarHBondContact O-N 3.32Å; L471-H475 VanDerWaalsContact O-N 3.1Å; L471-H475 PolarHBondContact O-ND1 3.06Å; R472-H475 PolarHBondContact O-N 3.01Å; H475-Y482 PolarHBondContact NE2-O 2.83Å; H475-F485 PolarHBondContact CE1-O 3.01Å; H475-F485 PolarHBondContact NE2-O 3.19Å
476	A	89.5	Confident	87.8	Confident	49 Å²	49	58 Å²	58	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-76.5	-26.4	177.9	0	0	0	0	0	113.9	R472 A473 R474	R472-A476 WeakPolarHBondContact O-CB 3.31Å; R472-A476 PolarHBondContact O-N 2.97Å; A473-A476 PolarHBondContact O-N 3.42Å; R474-A476 VanDerWaalsContact C-N 3.26Å; R474-A476 PolarHBondContact O-N 3.48Å
477	T	88.2	Confident	87.7	Confident	112 Å²	112	49.5 Å²	49.5	69%	0.687	27%	0.27	S	S	*	.	H	α-helix	trans	-71.1	-50.7	-175.6	-57.8	0	0	0	0	111.6	A473 R474	A473-T477 PolarHBondContact O-N 3.21Å; A473-T477 VanDerWaalsContact O-N 3.11Å; A473-T477 PolarHBondContact O-OG1 3.3Å; R474-T477 PolarHBondContact O-N 2.92Å
478	D	82.2	Confident	87.7	Confident	63 Å²	63	50.3 Å²	50.3	34%	0.337	27%	0.274	S	S	.	.			trans	-144.8	92.9	175.9	-175.8	-10.6	0	0	0	109.1	A480 K481 Y482	D478-A480 PolarHBondContact O-N 3.47Å; D478-A480 PolarHBondContact OD1-N 3.34Å; D478-A480 VanDerWaalsContact OD1-N 3.14Å; D478-K481 HydrophobicContact CB-CB 4.15Å; D478-K481 PolarHBondContact O-N 2.89Å; D478-K481 PolarHBondContact OD1-N 2.97Å; D478-K481 WeakPolarHBondContact OD2-CB 3.33Å; D478-Y482 HydrophobicContact CB-CD2 3.71Å; D478-Y482 HydrophobicContact CB-CE2 3.85Å; D478-Y482 WeakPolarHBondContact O-CD2 3.42Å; D478-Y482 PolarHBondContact O-N 3.14Å
479	P	77.4	Confident	87.3	Confident	50 Å²	50	50.3 Å²	50.3	33%	0.325	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-31.5	-179	-24.9	33.4	0	0	0	113.1	W483	P479-W483 VanDerWaalsContact O-CB 3.31Å; P479-W483 WeakPolarHBondContact O-CB 3.48Å; P479-W483 PolarHBondContact O-N 3.2Å
480	A	76.4	Confident	87	Confident	81 Å²	81	50.3 Å²	50.3	67%	0.669	28%	0.275	S	S	*	.	H	α-helix	trans	-75.9	-27.9	-177.1	0	0	0	0	0	112.6	D478 W483	D478-A480 PolarHBondContact O-N 3.47Å; D478-A480 PolarHBondContact OD1-N 3.34Å; D478-A480 VanDerWaalsContact OD1-N 3.14Å; A480-W483 PolarHBondContact O-NE1 3.41Å
481	K	78.5	Confident	86.7	Confident	129 Å²	129	49.6 Å²	49.6	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-94.9	-39	179.9	-171	178.5	-179	-177.3	0	113.3	D478	D478-K481 HydrophobicContact CB-CB 4.15Å; D478-K481 PolarHBondContact O-N 2.89Å; D478-K481 PolarHBondContact OD1-N 2.97Å; D478-K481 WeakPolarHBondContact OD2-CB 3.33Å
482	Y	80.5	Confident	86.5	Confident	63 Å²	63	50.1 Å²	50.1	25%	0.247	29%	0.285	C	S	.	.	H	α-helix	trans	-99.9	4.9	-170	-62.8	-67.3	0	0	0	114.4	R474 H475 D478 T484 F485	R474-Y482 WeakPolarHBondContact O-CB 3.32Å; R474-Y482 WeakPolarHBondContact O-CD2 2.98Å; H475-Y482 PolarHBondContact NE2-O 2.83Å; D478-Y482 HydrophobicContact CB-CD2 3.71Å; D478-Y482 HydrophobicContact CB-CE2 3.85Å; D478-Y482 WeakPolarHBondContact O-CD2 3.42Å; D478-Y482 PolarHBondContact O-N 3.14Å; Y482-T484 PolarHBondContact O-N 3.46Å; Y482-F485 AromaticContact CD1-CD2 3.64Å; Y482-F485 HydrophobicContact CD1-CD2 3.64Å; Y482-F485 HydrophobicContact CD1-CE1 4.35Å; Y482-F485 AromaticContact CD1-CE2 3.41Å; Y482-F485 HydrophobicContact CD1-CE2 3.41Å; Y482-F485 VanDerWaalsContact CD1-CE2 3.41Å; Y482-F485 HydrophobicContact CD1-CG 4.22Å; Y482-F485 AromaticContact CD1-CZ 3.78Å; Y482-F485 HydrophobicContact CD1-CZ 3.78Å; Y482-F485 HydrophobicContact CE1-CE2 4.01Å; Y482-F485 HydrophobicContact CE1-CZ 4.01Å; Y482-F485 HydrophobicContact CG-CD2 4.37Å; Y482-F485 HydrophobicContact CG-CE2 4.46Å; Y482-F485 WeakPolarHBondContact O-CB 3.47Å; Y482-F485 PolarHBondContact O-N 3.13Å
483	W	84.8	Confident	86.5	Confident	40 Å²	40	54 Å²	54	15%	0.152	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.6	178.5	69.7	-80.3	0	0	0	114.5	L141 V143 P413 A421 P479 A480	L141-W483 HydrophobicContact CB-CE3 4.12Å; L141-W483 HydrophobicContact CB-CZ3 4.02Å; L141-W483 HydrophobicContact CD2-CB 4.01Å; L141-W483 HydrophobicContact CD2-CD2 3.88Å; L141-W483 HydrophobicContact CD2-CE3 3.66Å; L141-W483 HydrophobicContact CD2-CG 4.04Å; L141-W483 HydrophobicContact CD2-CZ3 4.35Å; L141-W483 VanDerWaalsContact O-CZ3 3.26Å; L141-W483 WeakPolarHBondContact O-CZ3 3.39Å; V143-W483 HydrophobicContact CG2-CH2 4.08Å; V143-W483 HydrophobicContact CG2-CZ2 4.46Å; P413-W483 HydrophobicContact CG-CE3 3.69Å; P413-W483 HydrophobicContact CG-CH2 4.3Å; P413-W483 HydrophobicContact CG-CZ3 3.45Å; P413-W483 VanDerWaalsContact CG-CZ3 3.45Å; A421-W483 HydrophobicContact CB-CB 3.95Å; P479-W483 VanDerWaalsContact O-CB 3.31Å; P479-W483 WeakPolarHBondContact O-CB 3.48Å; P479-W483 PolarHBondContact O-N 3.2Å; A480-W483 PolarHBondContact O-NE1 3.41Å
484	T	88.7	Confident	86.5	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.055	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-4.2	176	57	0	0	0	0	113.1	P413 Y482 G486 D496 M497	P413-T484 HydrophobicContact CB-CG2 4.41Å; P413-T484 HydrophobicContact CG-CG2 4.31Å; Y482-T484 PolarHBondContact O-N 3.46Å; T484-G486 PolarHBondContact O-N 3.37Å; T484-D496 WeakPolarHBondContact CB-OD1 3.19Å; T484-D496 VanDerWaalsContact OG1-CG 3.3Å; T484-D496 PolarHBondContact OG1-OD1 3.08Å; T484-D496 PolarHBondContact OG1-OD2 3.19Å; T484-M497 VanDerWaalsContact O-CB 3.27Å; T484-M497 WeakPolarHBondContact O-CB 3.35Å; T484-M497 VanDerWaalsContact O-CG 3.27Å; T484-M497 WeakPolarHBondContact O-CG 3.3Å; T484-M497 PolarHBondContact O-N 3.26Å
485	F	91.4	Very high	86.6	Confident	30 Å²	30	50.4 Å²	50.4	13%	0.132	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127	-179.4	-80.8	-111.1	0	0	0	110.4	A417 L471 H475 Y482 I494 D496	A417-F485 WeakPolarHBondContact CA-O 3.23Å; A417-F485 VanDerWaalsContact CB-O 3.22Å; A417-F485 WeakPolarHBondContact CB-O 3.16Å; L471-F485 HydrophobicContact CD1-CB 4.36Å; H475-F485 PolarHBondContact CE1-O 3.01Å; H475-F485 PolarHBondContact NE2-O 3.19Å; Y482-F485 AromaticContact CD1-CD2 3.64Å; Y482-F485 HydrophobicContact CD1-CD2 3.64Å; Y482-F485 HydrophobicContact CD1-CE1 4.35Å; Y482-F485 AromaticContact CD1-CE2 3.41Å; Y482-F485 HydrophobicContact CD1-CE2 3.41Å; Y482-F485 VanDerWaalsContact CD1-CE2 3.41Å; Y482-F485 HydrophobicContact CD1-CG 4.22Å; Y482-F485 AromaticContact CD1-CZ 3.78Å; Y482-F485 HydrophobicContact CD1-CZ 3.78Å; Y482-F485 HydrophobicContact CE1-CE2 4.01Å; Y482-F485 HydrophobicContact CE1-CZ 4.01Å; Y482-F485 HydrophobicContact CG-CD2 4.37Å; Y482-F485 HydrophobicContact CG-CE2 4.46Å; Y482-F485 WeakPolarHBondContact O-CB 3.47Å; Y482-F485 PolarHBondContact O-N 3.13Å; F485-I494 HydrophobicContact CB-CG2 4.41Å; F485-I494 HydrophobicContact CD1-CG2 3.97Å; F485-D496 HydrophobicContact CD2-CB 4.25Å; F485-D496 HydrophobicContact CE1-CB 4.32Å; F485-D496 HydrophobicContact CE2-CB 3.88Å; F485-D496 HydrophobicContact CZ-CB 3.94Å
486	G	91.3	Very high	86.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	-170.4	-179.7	0	0	0	0	0	112.1	T484 I494 V495	T484-G486 PolarHBondContact O-N 3.37Å; G486-I494 WeakPolarHBondContact O-CA 3.34Å; G486-V495 PolarHBondContact N-O 2.99Å; G486-V495 PolarHBondContact O-N 3.36Å; G486-V495 VanDerWaalsContact O-N 3.15Å
487	V	92.1	Very high	86.6	Confident	2 Å²	2	49 Å²	49	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.3	174.1	-170	0	0	0	0	108.6	G415 P453 A457 L467 L471 G489	G415-V487 PolarHBondContact O-N 3.28Å; P453-V487 HydrophobicContact CB-CG2 3.77Å; A457-V487 HydrophobicContact CB-CG1 4.39Å; L467-V487 HydrophobicContact CD1-CG1 3.96Å; L467-V487 HydrophobicContact CD2-CB 4.32Å; L467-V487 HydrophobicContact CD2-CG1 3.97Å; L467-V487 HydrophobicContact CD2-CG2 3.46Å; L467-V487 VanDerWaalsContact CD2-CG2 3.46Å; L471-V487 HydrophobicContact CD2-CG2 3.86Å; V487-G489 PolarHBondContact O-N 3.13Å
488	N	90.5	Very high	86.6	Confident	28 Å²	28	49.9 Å²	49.9	15%	0.15	26%	0.259	C	S	.	.			trans	-70.8	114	170.4	178.7	-23.2	0	0	0	109.3	V490 S491 G492 R493 V495 L500	N488-V490 PolarHBondContact O-N 3.36Å; N488-V490 VanDerWaalsContact O-N 3.14Å; N488-V490 PolarHBondContact OD1-N 3.38Å; N488-S491 WeakPolarHBondContact CB-OG 3.28Å; N488-S491 PolarHBondContact ND2-OG 3.25Å; N488-S491 VanDerWaalsContact ND2-OG 3.13Å; N488-S491 PolarHBondContact OD1-N 3Å; N488-G492 WeakPolarHBondContact O-CA 3.25Å; N488-G492 PolarHBondContact O-N 3.15Å; N488-R493 PolarHBondContact N-O 3.1Å; N488-V495 HydrophobicContact CB-CG2 4.02Å; N488-L500 HydrophobicContact CB-CD1 4.03Å
489	G	84	Confident	86.9	Confident	6 Å²	6	54.2 Å²	54.2	6%	0.062	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.4	-176.2	0	0	0	0	0	116.1	C460 V487	C460-G489 WeakPolarHBondContact SG-CA 3.13Å; C460-G489 PolarHBondContact SG-O 3.41Å; V487-G489 PolarHBondContact O-N 3.13Å
490	V	86.1	Confident	87.3	Confident	80 Å²	80	55 Å²	55	49%	0.485	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-47.8	177.3	-177.5	0	0	0	0	110.9	P43 R44 N488	P43-V490 HydrophobicContact CB-CG2 4.44Å; P43-V490 HydrophobicContact CG-CG2 4.27Å; R44-V490 PolarHBondContact NE-O 3.42Å; R44-V490 PolarHBondContact NH1-O 3.25Å; R44-V490 PolarHBondContact NH2-O 3.41Å; N488-V490 PolarHBondContact O-N 3.36Å; N488-V490 VanDerWaalsContact O-N 3.14Å; N488-V490 PolarHBondContact OD1-N 3.38Å
491	S	86.8	Confident	87.7	Confident	64 Å²	64	54.2 Å²	54.2	45%	0.448	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-19.1	-176.2	63.7	0	0	0	0	113.7	N488 R493	N488-S491 WeakPolarHBondContact CB-OG 3.28Å; N488-S491 PolarHBondContact ND2-OG 3.25Å; N488-S491 VanDerWaalsContact ND2-OG 3.13Å; N488-S491 PolarHBondContact OD1-N 3Å; S491-R493 PolarHBondContact O-N 2.85Å
492	G	86.3	Confident	88.2	Confident	12 Å²	12	50.6 Å²	50.6	12%	0.124	25%	0.249	C	C	.	.			trans	65.9	25.1	-174.6	0	0	0	0	0	113.3	L467 N488	L467-G492 WeakPolarHBondContact CD1-O 3.06Å; N488-G492 WeakPolarHBondContact O-CA 3.25Å; N488-G492 PolarHBondContact O-N 3.15Å
493	R	90.8	Very high	88.6	Confident	184 Å²	184	48.8 Å²	48.8	69%	0.694	24%	0.242	S	C	*	.			trans	-108.6	156.9	176.8	-63.6	-175.5	-178	-176.8	0.8	111	N488 S491 V495	N488-R493 PolarHBondContact N-O 3.1Å; S491-R493 PolarHBondContact O-N 2.85Å; R493-V495 HydrophobicContact CB-CG2 4.39Å
494	I	91.6	Very high	88.8	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.108	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.5	172.7	-58.7	168.6	0	0	0	108.4	L467 E470 L471 F485 G486	L467-I494 HydrophobicContact CD2-CG1 4.01Å; L467-I494 HydrophobicContact CG-CD1 4.35Å; L467-I494 HydrophobicContact CG-CG1 3.94Å; E470-I494 HydrophobicContact CB-CD1 3.69Å; E470-I494 HydrophobicContact CG-CD1 3.63Å; L471-I494 HydrophobicContact CB-CD1 4Å; L471-I494 HydrophobicContact CB-CG1 4.47Å; L471-I494 HydrophobicContact CD1-CD1 4.38Å; L471-I494 HydrophobicContact CD1-CG1 4.22Å; L471-I494 HydrophobicContact CD1-CG2 3.61Å; F485-I494 HydrophobicContact CB-CG2 4.41Å; F485-I494 HydrophobicContact CD1-CG2 3.97Å; G486-I494 WeakPolarHBondContact O-CA 3.34Å
495	V	91.5	Very high	89	Confident	33 Å²	33	48 Å²	48	20%	0.2	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.3	-178	-170.4	0	0	0	0	108.8	G486 N488 R493 M497 L500	G486-V495 PolarHBondContact N-O 2.99Å; G486-V495 PolarHBondContact O-N 3.36Å; G486-V495 VanDerWaalsContact O-N 3.15Å; N488-V495 HydrophobicContact CB-CG2 4.02Å; R493-V495 HydrophobicContact CB-CG2 4.39Å; V495-M497 HydrophobicContact CB-CE 4.2Å; V495-M497 WeakPolarHBondContact O-CE 3.33Å; V495-M497 PolarHBondContact O-N 3.06Å; V495-L500 HydrophobicContact CB-CD1 3.63Å; V495-L500 HydrophobicContact CB-CG 4.35Å; V495-L500 HydrophobicContact CG1-CD1 3.5Å; V495-L500 HydrophobicContact CG1-CD2 4.39Å; V495-L500 HydrophobicContact CG1-CG 3.66Å; V495-L500 HydrophobicContact CG2-CD1 4.17Å
496	D	91.8	Very high	89	Confident	22 Å²	22	47.4 Å²	47.4	12%	0.118	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.2	169.1	-168.8	-12.1	0	0	0	109.7	T484 F485 K498 E499 L500	T484-D496 WeakPolarHBondContact CB-OD1 3.19Å; T484-D496 VanDerWaalsContact OG1-CG 3.3Å; T484-D496 PolarHBondContact OG1-OD1 3.08Å; T484-D496 PolarHBondContact OG1-OD2 3.19Å; F485-D496 HydrophobicContact CD2-CB 4.25Å; F485-D496 HydrophobicContact CE1-CB 4.32Å; F485-D496 HydrophobicContact CE2-CB 3.88Å; F485-D496 HydrophobicContact CZ-CB 3.94Å; D496-K498 PolarHBondContact O-N 3.45Å; D496-K498 WeakPolarHBondContact OD1-CB 3.35Å; D496-K498 PolarHBondContact OD1-N 2.93Å; D496-E499 HydrophobicContact CB-CB 4.25Å; D496-E499 HydrophobicContact CB-CG 3.95Å; D496-E499 PolarHBondContact O-N 2.84Å; D496-L500 PolarHBondContact O-N 3.26Å
497	M	88.9	Confident	89	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.9	179.5	-61.9	-63.5	101.3	0	0	111.9	P413 G414 A417 T484 V495 L500 D501 I502	P413-M497 HydrophobicContact CB-CB 3.92Å; P413-M497 HydrophobicContact CB-CG 4.47Å; G414-M497 WeakPolarHBondContact O-CG 3.45Å; A417-M497 HydrophobicContact CB-CG 4.04Å; T484-M497 VanDerWaalsContact O-CB 3.27Å; T484-M497 WeakPolarHBondContact O-CB 3.35Å; T484-M497 VanDerWaalsContact O-CG 3.27Å; T484-M497 WeakPolarHBondContact O-CG 3.3Å; T484-M497 PolarHBondContact O-N 3.26Å; V495-M497 HydrophobicContact CB-CE 4.2Å; V495-M497 WeakPolarHBondContact O-CE 3.33Å; V495-M497 PolarHBondContact O-N 3.06Å; M497-L500 HydrophobicContact CE-CD1 3.88Å; M497-L500 PolarHBondContact O-N 3.43Å; M497-D501 PolarHBondContact O-N 3.05Å; M497-D501 VanDerWaalsContact O-N 3.11Å; M497-I502 PolarHBondContact O-N 3.07Å; M497-I502 VanDerWaalsContact O-N 3.1Å; M497-I502 HydrophobicContact SD-CB 4.32Å; M497-I502 HydrophobicContact SD-CD1 4.49Å
498	K	87	Confident	89.1	Confident	131 Å²	131	48.5 Å²	48.5	57%	0.57	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-37.1	173.1	-176	173.1	-175.7	-178.6	0	111.8	D496 W503	D496-K498 PolarHBondContact O-N 3.45Å; D496-K498 WeakPolarHBondContact OD1-CB 3.35Å; D496-K498 PolarHBondContact OD1-N 2.93Å; K498-W503 HydrophobicContact CB-CH2 4.33Å; K498-W503 HydrophobicContact CB-CZ2 4.16Å; K498-W503 HydrophobicContact CG-CH2 4.29Å; K498-W503 HydrophobicContact CG-CZ2 3.95Å
499	E	87.9	Confident	89.2	Confident	154 Å²	154	48.1 Å²	48.1	72%	0.72	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-32.8	177.3	-68	-178.1	167.9	0	0	112.2	D496 D501	D496-E499 HydrophobicContact CB-CB 4.25Å; D496-E499 HydrophobicContact CB-CG 3.95Å; D496-E499 PolarHBondContact O-N 2.84Å; E499-D501 VanDerWaalsContact C-N 3.3Å
500	L	86.3	Confident	89.6	Confident	66 Å²	66	48.5 Å²	48.5	35%	0.346	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.8	176.4	-73.6	174.5	0	0	0	113.9	N488 V495 D496 M497 I502	N488-L500 HydrophobicContact CB-CD1 4.03Å; V495-L500 HydrophobicContact CB-CD1 3.63Å; V495-L500 HydrophobicContact CB-CG 4.35Å; V495-L500 HydrophobicContact CG1-CD1 3.5Å; V495-L500 HydrophobicContact CG1-CD2 4.39Å; V495-L500 HydrophobicContact CG1-CG 3.66Å; V495-L500 HydrophobicContact CG2-CD1 4.17Å; D496-L500 PolarHBondContact O-N 3.26Å; M497-L500 HydrophobicContact CE-CD1 3.88Å; M497-L500 PolarHBondContact O-N 3.43Å; L500-I502 HydrophobicContact CB-CD1 4.05Å; L500-I502 HydrophobicContact CB-CG1 4.08Å; L500-I502 HydrophobicContact CD1-CD1 4.35Å; L500-I502 PolarHBondContact O-N 3.1Å
501	D	85.4	Confident	90	Very high	65 Å²	65	47.2 Å²	47.2	35%	0.348	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	31.8	-175	-81.2	-30.6	0	0	0	113.8	K155 M497 E499 W503	K155-D501 IonicContact NZ-OD1 2.74Å; K155-D501 IonicContact NZ-OD2 3.83Å; K155-D501 PolarHBondContact NZ-OD2 3.36Å; M497-D501 PolarHBondContact O-N 3.05Å; M497-D501 VanDerWaalsContact O-N 3.11Å; E499-D501 VanDerWaalsContact C-N 3.3Å; D501-W503 PolarHBondContact O-N 3.05Å
502	I	88.5	Confident	90.4	Very high	52 Å²	52	44.3 Å²	44.3	27%	0.267	22%	0.215	S	C	.	.			trans	-95.1	100.9	178.1	-61.5	173.8	0	0	0	109.5	G414 M497 L500	G414-I502 PolarHBondContact N-O 3.21Å; M497-I502 PolarHBondContact O-N 3.07Å; M497-I502 VanDerWaalsContact O-N 3.1Å; M497-I502 HydrophobicContact SD-CB 4.32Å; M497-I502 HydrophobicContact SD-CD1 4.49Å; L500-I502 HydrophobicContact CB-CD1 4.05Å; L500-I502 HydrophobicContact CB-CG1 4.08Å; L500-I502 HydrophobicContact CD1-CD1 4.35Å; L500-I502 PolarHBondContact O-N 3.1Å
503	W	89.3	Confident	90.7	Very high	26 Å²	26	44.2 Å²	44.2	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.2	-179.5	-60	96.9	0	0	0	111.1	V143 I156 S159 L411 P413 K498 D501	V143-W503 HydrophobicContact CB-CZ3 4.41Å; V143-W503 HydrophobicContact CG2-CH2 4.07Å; V143-W503 HydrophobicContact CG2-CZ3 3.93Å; I156-W503 HydrophobicContact CG1-CB 4.37Å; S159-W503 PolarHBondContact OG-O 3.38Å; L411-W503 HydrophobicContact CB-CB 4.36Å; L411-W503 HydrophobicContact CB-CD2 4.48Å; L411-W503 HydrophobicContact CB-CE3 4.02Å; L411-W503 HydrophobicContact CD1-CB 4.18Å; L411-W503 HydrophobicContact CD1-CD2 4.48Å; L411-W503 HydrophobicContact CD1-CG 4.22Å; P413-W503 HydrophobicContact CB-CZ3 4.37Å; K498-W503 HydrophobicContact CB-CH2 4.33Å; K498-W503 HydrophobicContact CB-CZ2 4.16Å; K498-W503 HydrophobicContact CG-CH2 4.29Å; K498-W503 HydrophobicContact CG-CZ2 3.95Å; D501-W503 PolarHBondContact O-N 3.05Å
504	D	89.8	Confident	90.9	Very high	29 Å²	29	39.5 Å²	39.5	16%	0.155	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.8	169.3	-67.8	-24.3	0	0	0	108.9	V412 G414 K509	V412-D504 HydrophobicContact CG2-CB 4.15Å; V412-D504 WeakPolarHBondContact CG2-O 3.47Å; V412-D504 PolarHBondContact N-O 2.99Å; V412-D504 PolarHBondContact O-N 2.94Å; G414-D504 WeakPolarHBondContact CA-OD2 3.39Å; D504-K509 HydrophobicContact CB-CG 4.33Å; D504-K509 WeakPolarHBondContact OD2-CE 3.48Å; D504-K509 IonicContact OD2-NZ 3.55Å; D504-K509 PolarHBondContact OD2-NZ 2.77Å
505	P	91.1	Very high	91.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.8	173.3	-19.5	31	0	0	0	111.7	I156 V401 N404 V405 A507 V508 K509	I156-P505 HydrophobicContact CG2-CG 4.21Å; V401-P505 HydrophobicContact CG1-CG 3.83Å; N404-P505 HydrophobicContact CB-CB 4.29Å; V405-P505 HydrophobicContact CG2-CB 4.28Å; V405-P505 HydrophobicContact CG2-CG 4.12Å; P505-A507 VanDerWaalsContact C-N 3.29Å; P505-A507 PolarHBondContact O-N 2.99Å; P505-V508 HydrophobicContact CB-CG2 4.04Å; P505-V508 HydrophobicContact CG-CG2 4.09Å; P505-V508 PolarHBondContact O-N 3.44Å; P505-K509 PolarHBondContact O-N 3.32Å
506	F	92.4	Very high	91.3	Very high	19 Å²	19	37.7 Å²	37.7	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-56.3	-43.7	177.3	167.3	-90.1	0	0	0	112	L137 R138 E408 R410 V412 V508 K509 A510	L137-F506 HydrophobicContact CB-CE2 4.09Å; L137-F506 HydrophobicContact CD2-CD2 3.97Å; L137-F506 HydrophobicContact CD2-CE2 3.7Å; L137-F506 HydrophobicContact CD2-CZ 4.44Å; L137-F506 HydrophobicContact CG-CD2 3.78Å; L137-F506 HydrophobicContact CG-CE2 3.53Å; R138-F506 HydrophobicContact CB-CE2 4.1Å; R138-F506 HydrophobicContact CB-CZ 4.06Å; R138-F506 HydrophobicContact CG-CZ 4.29Å; E408-F506 WeakPolarHBondContact OE2-CD1 3.17Å; R410-F506 HydrophobicContact CB-CB 3.76Å; R410-F506 HydrophobicContact CB-CG 4.22Å; R410-F506 VanDerWaalsContact O-CB 3.29Å; R410-F506 WeakPolarHBondContact O-CB 3.23Å; R410-F506 PolarHBondContact O-N 3.03Å; V412-F506 HydrophobicContact CG1-CB 4.25Å; V412-F506 HydrophobicContact CG1-CD2 4.18Å; F506-V508 VanDerWaalsContact C-N 3.29Å; F506-V508 PolarHBondContact O-N 3.28Å; F506-K509 PolarHBondContact O-N 3.45Å; F506-A510 HydrophobicContact CZ-CB 4.13Å; F506-A510 WeakPolarHBondContact O-CB 3.5Å; F506-A510 PolarHBondContact O-N 3.3Å; F506-A510 HydrophobicContact CE1-CB 4.1Å
507	A	91.8	Very high	91.4	Very high	18 Å²	18	36.7 Å²	36.7	15%	0.149	18%	0.181	C	C	.	.	H	α-helix	trans	-56.2	-41.4	-179.1	0	0	0	0	0	112.6	N404 P505 Q511	N404-A507 HydrophobicContact CB-CB 4.28Å; P505-A507 VanDerWaalsContact C-N 3.29Å; P505-A507 PolarHBondContact O-N 2.99Å; A507-Q511 WeakPolarHBondContact O-CB 3.43Å; A507-Q511 PolarHBondContact O-N 3.11Å
508	V	92.6	Very high	91.7	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-46.7	179.7	176.9	0	0	0	0	110.6	V91 D93 P505 F506 T512	V91-V508 HydrophobicContact CB-CG2 4.26Å; D93-V508 HydrophobicContact CB-CG1 4.28Å; D93-V508 HydrophobicContact CB-CG2 4.42Å; P505-V508 HydrophobicContact CB-CG2 4.04Å; P505-V508 HydrophobicContact CG-CG2 4.09Å; P505-V508 PolarHBondContact O-N 3.44Å; F506-V508 VanDerWaalsContact C-N 3.29Å; F506-V508 PolarHBondContact O-N 3.28Å; V508-T512 WeakPolarHBondContact O-CB 3.17Å; V508-T512 PolarHBondContact O-N 3.16Å; V508-T512 PolarHBondContact O-OG1 2.79Å
509	K	92.5	Very high	92.1	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-69.8	-42.9	-179.7	-69.2	-63	-172	178	0	112.7	L137 V412 I418 E419 D504 P505 F506 Q511 T512 L513	L137-K509 HydrophobicContact CD2-CB 4.36Å; V412-K509 HydrophobicContact CG2-CB 4.14Å; V412-K509 HydrophobicContact CG2-CG 3.55Å; I418-K509 HydrophobicContact CG2-CD 4.1Å; I418-K509 HydrophobicContact CG2-CG 4.35Å; E419-K509 IonicContact OE1-NZ 2.77Å; E419-K509 PolarHBondContact OE1-NZ 3.01Å; D504-K509 HydrophobicContact CB-CG 4.33Å; D504-K509 WeakPolarHBondContact OD2-CE 3.48Å; D504-K509 IonicContact OD2-NZ 3.55Å; D504-K509 PolarHBondContact OD2-NZ 2.77Å; P505-K509 PolarHBondContact O-N 3.32Å; F506-K509 PolarHBondContact O-N 3.45Å; K509-Q511 VanDerWaalsContact C-N 3.34Å; K509-Q511 PolarHBondContact O-N 3.44Å; K509-T512 PolarHBondContact O-N 3.43Å; K509-L513 WeakPolarHBondContact O-CG 3.28Å; K509-L513 PolarHBondContact O-N 3.5Å
510	A	93.6	Very high	92.3	Very high	15 Å²	15	28 Å²	28	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-47.8	176.8	0	0	0	0	0	110.8	L134 L137 F506 L513 K514	L134-A510 HydrophobicContact CD2-CB 4.13Å; L137-A510 HydrophobicContact CD2-CB 3.94Å; F506-A510 HydrophobicContact CZ-CB 4.13Å; F506-A510 WeakPolarHBondContact O-CB 3.5Å; F506-A510 PolarHBondContact O-N 3.3Å; F506-A510 HydrophobicContact CE1-CB 4.1Å; A510-L513 PolarHBondContact O-N 3.14Å; A510-K514 WeakPolarHBondContact O-CB 3.32Å; A510-K514 PolarHBondContact O-N 2.87Å; A510-K514 VanDerWaalsContact O-N 3.11Å
511	Q	94.1	Very high	92.7	Very high	53 Å²	53	25.1 Å²	25.1	25%	0.248	13%	0.127	C	C	.	.	H	α-helix	trans	-65.6	-41.7	177.7	-172.1	64.4	2.5	0	0	111.5	V91 A507 K509 L513 K514 T515	V91-Q511 HydrophobicContact CG1-CB 4.12Å; V91-Q511 HydrophobicContact CG1-CG 4.18Å; A507-Q511 WeakPolarHBondContact O-CB 3.43Å; A507-Q511 PolarHBondContact O-N 3.11Å; K509-Q511 VanDerWaalsContact C-N 3.34Å; K509-Q511 PolarHBondContact O-N 3.44Å; Q511-L513 PolarHBondContact O-N 3.25Å; Q511-K514 PolarHBondContact O-N 3.24Å; Q511-T515 PolarHBondContact O-OG1 3.19Å; Q511-T515 PolarHBondContact O-N 3.49Å; Q511-T515 HydrophobicContact CG-CG2 4.14Å; Q511-T515 WeakPolarHBondContact O-CG2 3.5Å
512	T	94.4	Very high	93.1	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-44.9	178.9	-67.9	0	0	0	0	112.2	V98 L101 V508 K509 T515 A516	V98-T512 HydrophobicContact CG2-CG2 3.76Å; L101-T512 HydrophobicContact CD1-CG2 3.68Å; V508-T512 WeakPolarHBondContact O-CB 3.17Å; V508-T512 PolarHBondContact O-N 3.16Å; V508-T512 PolarHBondContact O-OG1 2.79Å; K509-T512 PolarHBondContact O-N 3.43Å; T512-T515 PolarHBondContact O-OG1 3Å; T512-A516 WeakPolarHBondContact O-CB 3.43Å; T512-A516 PolarHBondContact O-N 3.15Å
513	L	94.4	Very high	93.4	Very high	9 Å²	9	24 Å²	24	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-65.7	-43.3	177.2	-70.4	170.6	0	0	0	111.5	L130 L137 L422 L449 K509 A510 Q511 I517	L130-L513 HydrophobicContact CD1-CB 4.3Å; L137-L513 HydrophobicContact CD2-CD1 4.43Å; L422-L513 HydrophobicContact CD1-CD1 3.57Å; L449-L513 HydrophobicContact CD2-CD2 3.68Å; K509-L513 WeakPolarHBondContact O-CG 3.28Å; K509-L513 PolarHBondContact O-N 3.5Å; A510-L513 PolarHBondContact O-N 3.14Å; Q511-L513 PolarHBondContact O-N 3.25Å; L513-I517 WeakPolarHBondContact O-CB 3.27Å; L513-I517 WeakPolarHBondContact O-CG1 3.34Å; L513-I517 PolarHBondContact O-N 3.48Å; L513-I517 VanDerWaalsContact O-N 3.13Å
514	K	95	Very high	93.5	Very high	85 Å²	85	22.8 Å²	22.8	37%	0.37	12%	0.117	S	C	.	.	H	α-helix	trans	-61.9	-55.6	179.6	-176.6	-179.6	177.7	-174.3	0	111.3	L130 A510 Q511 A516 I517 E518	L130-K514 HydrophobicContact CD1-CB 4.35Å; L130-K514 HydrophobicContact CD2-CG 4.33Å; A510-K514 WeakPolarHBondContact O-CB 3.32Å; A510-K514 PolarHBondContact O-N 2.87Å; A510-K514 VanDerWaalsContact O-N 3.11Å; Q511-K514 PolarHBondContact O-N 3.24Å; K514-A516 VanDerWaalsContact C-N 3.34Å; K514-A516 PolarHBondContact O-N 3.45Å; K514-I517 PolarHBondContact O-N 3.11Å; K514-E518 WeakPolarHBondContact CE-OE1 3.22Å; K514-E518 PolarHBondContact O-N 3.49Å; K514-E518 WeakPolarHBondContact O-CG 2.91Å; K514-E518 VanDerWaalsContact O-CG 3.3Å; K514-E518 WeakPolarHBondContact O-CB 3.4Å; K514-E518 VanDerWaalsContact O-CB 3.32Å; K514-E518 HydrophobicContact CG-CG 4.44Å
515	T	95.5	Very high	93.6	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.086	13%	0.133	C	C	.	.	H	α-helix	trans	-64.1	-40.5	-177.8	54.2	0	0	0	0	111.1	Q87 V98 Q511 T512 I517 T519	Q87-T515 VanDerWaalsContact OE1-CG2 3.3Å; Q87-T515 PolarHBondContact OE1-OG1 2.95Å; V98-T515 VanDerWaalsContact CG2-OG1 3.3Å; V98-T515 WeakPolarHBondContact CG2-OG1 3.08Å; Q511-T515 PolarHBondContact O-OG1 3.19Å; Q511-T515 PolarHBondContact O-N 3.49Å; Q511-T515 HydrophobicContact CG-CG2 4.14Å; Q511-T515 WeakPolarHBondContact O-CG2 3.5Å; T512-T515 PolarHBondContact O-OG1 3Å; T515-I517 PolarHBondContact O-N 2.86Å; T515-T519 VanDerWaalsContact O-CB 3.27Å; T515-T519 WeakPolarHBondContact O-CB 3.37Å; T515-T519 PolarHBondContact O-N 2.82Å; T515-T519 PolarHBondContact O-OG1 3.5Å
516	A	95	Very high	93.6	Very high	2 Å²	2	30 Å²	30	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-44.5	179.7	0	0	0	0	0	113.1	L101 S102 T512 K514 T519 A520	L101-A516 HydrophobicContact CB-CB 3.74Å; S102-A516 WeakPolarHBondContact OG-CA 3.36Å; S102-A516 PolarHBondContact OG-O 2.88Å; T512-A516 WeakPolarHBondContact O-CB 3.43Å; T512-A516 PolarHBondContact O-N 3.15Å; K514-A516 VanDerWaalsContact C-N 3.34Å; K514-A516 PolarHBondContact O-N 3.45Å; A516-T519 WeakPolarHBondContact O-CB 3.46Å; A516-T519 PolarHBondContact O-N 3.27Å; A516-A520 PolarHBondContact O-N 2.82Å
517	I	94.9	Very high	93.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-75.3	-39	-178.3	-66.2	167.4	0	0	0	111.2	F126 L130 M133 M445 L513 K514 T515 T519 A520 I521	F126-I517 HydrophobicContact CB-CG2 4.01Å; L130-I517 HydrophobicContact CB-CB 4.49Å; L130-I517 HydrophobicContact CB-CD1 3.99Å; L130-I517 HydrophobicContact CB-CG2 4.1Å; L130-I517 HydrophobicContact CD1-CD1 3.92Å; L130-I517 HydrophobicContact CD2-CB 4.36Å; L130-I517 HydrophobicContact CD2-CG2 4.35Å; L130-I517 HydrophobicContact CG-CD1 4.48Å; M133-I517 HydrophobicContact CE-CD1 3.24Å; M445-I517 HydrophobicContact CE-CD1 3.71Å; M445-I517 HydrophobicContact CE-CG1 4.4Å; L513-I517 WeakPolarHBondContact O-CB 3.27Å; L513-I517 WeakPolarHBondContact O-CG1 3.34Å; L513-I517 PolarHBondContact O-N 3.48Å; L513-I517 VanDerWaalsContact O-N 3.13Å; K514-I517 PolarHBondContact O-N 3.11Å; T515-I517 PolarHBondContact O-N 2.86Å; I517-T519 VanDerWaalsContact C-N 3.29Å; I517-T519 PolarHBondContact O-N 3.01Å; I517-A520 PolarHBondContact O-N 3.41Å; I517-I521 HydrophobicContact CG2-CD1 3.85Å; I517-I521 HydrophobicContact CG2-CG1 4.45Å; I517-I521 WeakPolarHBondContact O-CB 3.37Å; I517-I521 WeakPolarHBondContact O-CD1 3.18Å; I517-I521 VanDerWaalsContact O-CG1 3.23Å; I517-I521 WeakPolarHBondContact O-CG1 3.29Å; I517-I521 PolarHBondContact O-N 3.44Å
518	E	94.6	Very high	93.1	Very high	96 Å²	96	35.5 Å²	35.5	45%	0.449	17%	0.173	S	C	.	.	H	α-helix	trans	-61.4	-38.9	173.4	-74.8	179.7	174.5	0	0	111.7	K514 I521 L522	K514-E518 WeakPolarHBondContact CE-OE1 3.22Å; K514-E518 PolarHBondContact O-N 3.49Å; K514-E518 WeakPolarHBondContact O-CG 2.91Å; K514-E518 VanDerWaalsContact O-CG 3.3Å; K514-E518 WeakPolarHBondContact O-CB 3.4Å; K514-E518 VanDerWaalsContact O-CB 3.32Å; K514-E518 HydrophobicContact CG-CG 4.44Å; E518-I521 WeakPolarHBondContact O-CB 3.49Å; E518-I521 PolarHBondContact O-N 3.41Å; E518-L522 WeakPolarHBondContact O-CB 3.47Å; E518-L522 PolarHBondContact O-N 2.93Å
519	T	94.4	Very high	92.6	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-48.8	174.2	-58.2	0	0	0	0	111.7	M80 I83 T515 A516 I517 I521 L522 L523	M80-T519 HydrophobicContact SD-CG2 3.44Å; M80-T519 WeakPolarHBondContact SD-CG2 3.35Å; I83-T519 HydrophobicContact CD1-CG2 3.35Å; I83-T519 WeakPolarHBondContact CD1-OG1 3.28Å; I83-T519 WeakPolarHBondContact CG2-OG1 3.31Å; T515-T519 VanDerWaalsContact O-CB 3.27Å; T515-T519 WeakPolarHBondContact O-CB 3.37Å; T515-T519 PolarHBondContact O-N 2.82Å; T515-T519 PolarHBondContact O-OG1 3.5Å; A516-T519 WeakPolarHBondContact O-CB 3.46Å; A516-T519 PolarHBondContact O-N 3.27Å; I517-T519 VanDerWaalsContact C-N 3.29Å; I517-T519 PolarHBondContact O-N 3.01Å; T519-I521 VanDerWaalsContact C-N 3.28Å; T519-I521 PolarHBondContact O-N 3.05Å; T519-L522 WeakPolarHBondContact O-CB 3.1Å; T519-L522 PolarHBondContact O-N 2.77Å; T519-L523 HydrophobicContact CG2-CD1 4.2Å; T519-L523 PolarHBondContact O-N 2.93Å
520	A	93.8	Very high	92.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-41	177.3	0	0	0	0	0	111.2	M105 L106 F126 A516 I517 L523 L524	M105-A520 HydrophobicContact CB-CB 3.86Å; L106-A520 HydrophobicContact CD2-CB 4.13Å; L106-A520 HydrophobicContact CG-CB 4.22Å; F126-A520 HydrophobicContact CE2-CB 4.3Å; A516-A520 PolarHBondContact O-N 2.82Å; I517-A520 PolarHBondContact O-N 3.41Å; A520-L523 PolarHBondContact O-N 2.9Å; A520-L524 WeakPolarHBondContact O-CB 3.34Å; A520-L524 PolarHBondContact O-N 2.95Å; A520-L524 WeakPolarHBondContact O-CG 3.5Å
521	I	94.4	Very high	91.4	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-44.5	174.7	-71.9	161.9	0	0	0	111.5	I123 F126 R127 I517 E518 T519 L524 R525	I123-I521 HydrophobicContact CB-CG2 4.42Å; I123-I521 HydrophobicContact CG1-CG2 4.22Å; I123-I521 HydrophobicContact CG2-CB 4.4Å; I123-I521 HydrophobicContact CG2-CG1 4.19Å; I123-I521 HydrophobicContact CG2-CG2 3.5Å; I123-I521 VanDerWaalsContact CG2-CG2 3.5Å; F126-I521 HydrophobicContact CB-CD1 4.06Å; F126-I521 HydrophobicContact CB-CG1 3.99Å; F126-I521 HydrophobicContact CD2-CG1 4.19Å; R127-I521 HydrophobicContact CG-CD1 3.5Å; I517-I521 HydrophobicContact CG2-CD1 3.85Å; I517-I521 HydrophobicContact CG2-CG1 4.45Å; I517-I521 WeakPolarHBondContact O-CB 3.37Å; I517-I521 WeakPolarHBondContact O-CD1 3.18Å; I517-I521 VanDerWaalsContact O-CG1 3.23Å; I517-I521 WeakPolarHBondContact O-CG1 3.29Å; I517-I521 PolarHBondContact O-N 3.44Å; E518-I521 WeakPolarHBondContact O-CB 3.49Å; E518-I521 PolarHBondContact O-N 3.41Å; T519-I521 VanDerWaalsContact C-N 3.28Å; T519-I521 PolarHBondContact O-N 3.05Å; I521-L524 PolarHBondContact O-N 3.24Å; I521-R525 VanDerWaalsContact O-CG 3.29Å; I521-R525 WeakPolarHBondContact O-CG 3.27Å; I521-R525 PolarHBondContact O-N 3.23Å
522	L	94	Very high	90.5	Very high	90 Å²	90	43.8 Å²	43.8	47%	0.471	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-48.9	179.8	-179.9	67.5	0	0	0	110.8	E518 T519 L524 R525	E518-L522 WeakPolarHBondContact O-CB 3.47Å; E518-L522 PolarHBondContact O-N 2.93Å; T519-L522 WeakPolarHBondContact O-CB 3.1Å; T519-L522 PolarHBondContact O-N 2.77Å; L522-L524 PolarHBondContact O-N 3.46Å; L522-R525 WeakPolarHBondContact O-CB 3.31Å; L522-R525 PolarHBondContact O-N 2.97Å
523	L	93	Very high	89.6	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-69.2	-33.7	-178.1	-68.2	176.6	0	0	0	112.8	A76 M80 L106 T519 A520 R525 I526	A76-L523 HydrophobicContact CB-CD2 3.65Å; M80-L523 HydrophobicContact CG-CD1 4.07Å; M80-L523 HydrophobicContact SD-CD1 3.83Å; L106-L523 HydrophobicContact CD1-CD1 3.63Å; L106-L523 HydrophobicContact CD2-CB 4.02Å; T519-L523 HydrophobicContact CG2-CD1 4.2Å; T519-L523 PolarHBondContact O-N 2.93Å; A520-L523 PolarHBondContact O-N 2.9Å; L523-R525 VanDerWaalsContact C-N 3.26Å; L523-R525 PolarHBondContact O-N 3.29Å; L523-I526 PolarHBondContact O-N 3.4Å; L523-I526 HydrophobicContact CD2-CD1 4.06Å
524	L	91.8	Very high	88.2	Confident	1 Å²	1	59 Å²	59	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-69.7	-20.6	174.1	-72.9	172.5	0	0	0	113.6	Q23 I27 L106 A109 L113 I122 I123 F126 A520 I521 L522 I526	Q23-L524 PolarHBondContact NE2-O 3.27Å; I27-L524 HydrophobicContact CD1-CD2 4.11Å; I27-L524 HydrophobicContact CG1-CD2 4.46Å; L106-L524 HydrophobicContact CD2-CD2 4.39Å; L106-L524 HydrophobicContact CD2-CG 4.07Å; A109-L524 HydrophobicContact CB-CD1 3.95Å; A109-L524 HydrophobicContact CB-CD2 4.03Å; L113-L524 HydrophobicContact CD1-CD2 3.95Å; I122-L524 HydrophobicContact CG2-CD1 4.18Å; I123-L524 HydrophobicContact CD1-CB 4.35Å; I123-L524 HydrophobicContact CG1-CB 4.27Å; F126-L524 HydrophobicContact CD2-CD1 4.18Å; F126-L524 HydrophobicContact CE2-CD1 3.72Å; A520-L524 WeakPolarHBondContact O-CB 3.34Å; A520-L524 PolarHBondContact O-N 2.95Å; A520-L524 WeakPolarHBondContact O-CG 3.5Å; I521-L524 PolarHBondContact O-N 3.24Å; L522-L524 PolarHBondContact O-N 3.46Å; L524-I526 VanDerWaalsContact C-N 3.33Å
525	R	92.1	Very high	86.4	Confident	131 Å²	131	64.1 Å²	64.1	49%	0.494	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-19.2	176.3	-76.8	172.9	173.7	-160.4	-8.9	113.5	I123 R127 I521 L522 L523 D527	I123-R525 HydrophobicContact CD1-CG 3.46Å; I123-R525 VanDerWaalsContact CD1-CG 3.46Å; R127-R525 VanDerWaalsContact CZ-NH2 3.29Å; I521-R525 VanDerWaalsContact O-CG 3.29Å; I521-R525 WeakPolarHBondContact O-CG 3.27Å; I521-R525 PolarHBondContact O-N 3.23Å; L522-R525 WeakPolarHBondContact O-CB 3.31Å; L522-R525 PolarHBondContact O-N 2.97Å; L523-R525 VanDerWaalsContact C-N 3.26Å; L523-R525 PolarHBondContact O-N 3.29Å; R525-D527 PolarHBondContact O-N 3.22Å
526	I	90.7	Very high	84.2	Confident	53 Å²	53	72.5 Å²	72.5	27%	0.272	38%	0.381	S	S	.	.			trans	-81	114.4	-178	-57.9	169.5	0	0	0	108.3	V22 Q23 L523 L524 V529	V22-I526 HydrophobicContact CG1-CG2 4.21Å; Q23-I526 WeakPolarHBondContact CG-O 3.4Å; L523-I526 PolarHBondContact O-N 3.4Å; L523-I526 HydrophobicContact CD2-CD1 4.06Å; L524-I526 VanDerWaalsContact C-N 3.33Å; I526-V529 HydrophobicContact CG2-CG2 4.06Å
527	D	87.9	Confident	81.8	Confident	100 Å²	100	78.3 Å²	78.3	54%	0.535	42%	0.421	S	S	.	.			trans	-113.2	-19.3	-179	62.4	-24.7	0	0	0	114	G19 R525	G19-D527 PolarHBondContact N-O 3.2Å; R525-D527 PolarHBondContact O-N 3.22Å
528	D	85.9	Confident	79.4	Confident	52 Å²	52	81.4 Å²	81.4	28%	0.278	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.3	174.1	-164.4	-22	0	0	0	109.7	E17 Q18 V530	E17-D528 WeakPolarHBondContact O-CA 3.24Å; Q18-D528 WeakPolarHBondContact CG-OD2 3.39Å; Q18-D528 PolarHBondContact NE2-OD2 3.1Å; D528-V530 WeakPolarHBondContact OD1-CG2 3.45Å
529	V	83.4	Confident	76.8	Confident	45 Å²	45	83.6 Å²	83.6	27%	0.273	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	106.3	171.3	174.6	0	0	0	0	107.8	E17 V22 P75 I526	E17-V529 PolarHBondContact O-N 3.38Å; V22-V529 HydrophobicContact CG1-CB 4.46Å; V22-V529 HydrophobicContact CG1-CG2 3.6Å; P75-V529 HydrophobicContact CG-CG1 4.3Å; I526-V529 HydrophobicContact CG2-CG2 4.06Å
530	V	81.9	Confident	74.3	Confident	83 Å²	83	91.7 Å²	91.7	50%	0.503	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.8	179.2	-175.4	0	0	0	0	109.5	L10 D528	L10-V530 HydrophobicContact CD2-CG1 3.99Å; D528-V530 WeakPolarHBondContact OD1-CG2 3.45Å
531	S	77.9	Confident	71.9	Confident	68 Å²	68	96.7 Å²	96.7	48%	0.476	54%	0.542	S	S	.	.			trans	-88.4	122.9	169.2	67.4	0	0	0	0	110.6	R15	R15-S531 PolarHBondContact O-N 3.31Å; R15-S531 PolarHBondContact O-OG 2.86Å
532	G	75.1	Confident	69.4	Low	71 Å²	71	102.4 Å²	102.4	73%	0.732	58%	0.579	S	S	*	*			trans	-155.1	127	177.1	0	0	0	0	0	111.7
533	V	76.6	Confident	67.1	Low	138 Å²	138	104.3 Å²	104.3	84%	0.836	60%	0.595	S	S	*	*			trans	-110.4	129.6	170.5	-174.8	0	0	0	0	107.6	K535	V533-K535 PolarHBondContact O-N 3.49Å
534	K	64.8	Low	64.7	Low	194 Å²	194	110 Å²	110	84%	0.843	63%	0.632	S	S	*	*			trans	-68.4	104.1	169.7	-170.6	179.4	-177.2	-178.6	0	107.5	Q536	K534-Q536 PolarHBondContact O-N 3.42Å
535	K	56	Low	62.3	Low	193 Å²	193	116.9 Å²	116.9	84%	0.839	67%	0.674	S	S	*	*			trans	-58.9	122.3	163	-89.3	-174	173.7	-176.1	0	106.8	V533 S537	V533-K535 PolarHBondContact O-N 3.49Å; K535-S537 PolarHBondContact O-N 2.97Å
536	Q	50.6	Low	60.4	Low	190 Å²	190	115.6 Å²	115.6	89%	0.888	69%	0.692	S	S	*	*			trans	-57.7	110.3	163.5	-78.1	177.6	-6.9	0	0	106.6	K534 G538	K534-Q536 PolarHBondContact O-N 3.42Å; Q536-G538 PolarHBondContact O-N 3.08Å
537	S	43.7	Very low	57.9	Low	123 Å²	123	117.8 Å²	117.8	86%	0.86	72%	0.718	S	S	*	*			trans	-67.3	97.9	172.3	40.5	0	0	0	0	108.3	K535	K535-S537 PolarHBondContact O-N 2.97Å
538	G	43.9	Very low	55.6	Low	67 Å²	67	126 Å²	126	69%	0.691	75%	0.753	S	S	*	*			trans	-133.9	120.3	172.9	0	0	0	0	0	110	Q536	Q536-G538 PolarHBondContact O-N 3.08Å
539	D	40.7	Very low	54.1	Low	143 Å²	143	129.8 Å²	129.8	77%	0.765	78%	0.777	S	S	*	*			trans	61.2	75.8	170.3	-71.1	-10.8	0	0	0	120.2
540	N	42.8	Very low	52.6	Low	175 Å²	175	134.2 Å²	134.2	94%	0.936	80%	0.804	S	S	*	*			trans	-96.6	78.4	144.7	-84.6	-13.2	0	0	0	109.1
541	T	42.7	Very low	50.9	Low	106 Å²	106	137.1 Å²	137.1	65%	0.65	82%	0.82	S	S	*	*			trans	-97.2	121.8	158.8	39.2	0	0	0	0	108.8	T543	T541-T543 PolarHBondContact O-N 3.06Å
542	P	42.1	Very low	49.3	Very low	125 Å²	125	141.1 Å²	141.1	81%	0.812	84%	0.841	S	S	*	*			trans	-76.2	112.2	178.4	30.2	-29	0	0	0	109.1
543	T	45.7	Very low	47.7	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	85%	0.848	S	S	*	*			trans	-67.5	129.8	165.3	30.8	0	0	0	0	109.7	T541	T541-T543 PolarHBondContact O-N 3.06Å
544	P	41.8	Very low	45.8	Very low	121 Å²	121	146 Å²	146	79%	0.786	85%	0.848	S	S	*	*			trans	-75.8	136.1	-178.9	27.3	-23.5	0	0	0	110	A546	P544-A546 PolarHBondContact O-N 3.4Å
545	T	41	Very low	44.5	Very low	146 Å²	146	142.6 Å²	142.6	90%	0.896	85%	0.849	S	S	*	*			trans	-63.7	112.4	168.5	44	0	0	0	0	109.4
546	A	52.2	Low	43.6	Very low	104 Å²	104	138.7 Å²	138.7	86%	0.86	85%	0.849	S	S	*	*			trans	-78.2	127	162.3	0	0	0	0	0	108.5	P544	P544-A546 PolarHBondContact O-N 3.4Å
547	A	38.9	Very low	43	Very low	100 Å²	100	134.4 Å²	134.4	83%	0.826	85%	0.846	S	S	*	*			trans	-80	131.6	173.4	0	0	0	0	0	110.2
548	E	40.3	Very low	42.9	Very low	273 Å²	273	135.5 Å²	135.5	100%	1.276	85%	0.845	S	S	*	*			trans	-135.9	0	143	-87.8	-172.3	166.1	0	0	108.1

Retrieved 548 of 548 residues in 146.9 ms (Link to these results)

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