A0A5K4FFA6_SCHMA Loading...

C2H2-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FFA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 699 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	44.6	Very low	244 Å²	244	137.7 Å²	137.7	100%	1.202	77%	0.765	S	S	*	*				0	92.1	0	-72.1	-171.9	167.3	0	0	108
2	C	33.2	Very low	47.8	Very low	122 Å²	122	133.2 Å²	133.2	82%	0.824	74%	0.737	S	S	*	*			trans	-88.7	125.5	157.7	-86.9	0	0	0	0	105.8	V4	C2-V4 PolarHBondContact O-N 3.37Å
3	P	37	Very low	50.5	Low	113 Å²	113	131.1 Å²	131.1	73%	0.734	72%	0.722	S	S	*	*			trans	-65.6	111	173	28.2	-28.3	0	0	0	105.6	N5	P3-N5 PolarHBondContact O-N 3.23Å
4	V	40.4	Very low	53	Low	135 Å²	135	122.4 Å²	122.4	82%	0.818	68%	0.675	S	S	*	*			trans	-56.9	117.4	158.2	179.5	0	0	0	0	103.1	C2 G6	C2-V4 PolarHBondContact O-N 3.37Å; V4-G6 PolarHBondContact O-N 3.47Å
5	N	37.4	Very low	55.3	Low	146 Å²	146	118.3 Å²	118.3	78%	0.781	66%	0.655	S	S	*	*			trans	-50.8	88.6	163.3	-77.3	-25.5	0	0	0	105.9	P3 I7	P3-N5 PolarHBondContact O-N 3.23Å; N5-I7 PolarHBondContact O-N 3.18Å
6	G	39.6	Very low	57.3	Low	58 Å²	58	111 Å²	111	60%	0.598	61%	0.614	S	S	*	*			trans	-68.4	87.4	170.5	0	0	0	0	0	103.1	V4 I8	V4-G6 PolarHBondContact O-N 3.47Å; G6-I8 PolarHBondContact O-N 3.37Å
7	I	40.4	Very low	59.2	Low	136 Å²	136	108.8 Å²	108.8	70%	0.697	60%	0.597	S	S	*	*			trans	-48.1	100.1	150.3	-59.2	168.2	0	0	0	102	N5 K9	N5-I7 PolarHBondContact O-N 3.18Å; I7-K9 HydrophobicContact CG2-CG 3.85Å; I7-K9 PolarHBondContact O-N 3.05Å
8	I	42.4	Very low	61	Low	150 Å²	150	102.8 Å²	102.8	77%	0.769	56%	0.564	S	S	*	*			trans	-63.9	85.4	163.6	-58.7	171.1	0	0	0	101	G6 E10	G6-I8 PolarHBondContact O-N 3.37Å; I8-E10 VanDerWaalsContact C-N 3.27Å; I8-E10 PolarHBondContact O-N 3.48Å
9	K	54.2	Low	62.5	Low	173 Å²	173	98.8 Å²	98.8	75%	0.752	54%	0.544	S	S	*	.			trans	-58.9	108.4	167.1	-78.4	-174.3	175.5	-177.3	0	101.8	I7	I7-K9 HydrophobicContact CG2-CG 3.85Å; I7-K9 PolarHBondContact O-N 3.05Å
10	E	63.8	Low	63.9	Low	168 Å²	168	94.1 Å²	94.1	79%	0.785	52%	0.518	S	S	*	.			trans	-46	129.2	172.4	-70.9	178.1	164.1	0	0	106.8	I8 I12	I8-E10 VanDerWaalsContact C-N 3.27Å; I8-E10 PolarHBondContact O-N 3.48Å; E10-I12 PolarHBondContact O-N 3.37Å
11	P	70.7	Confident	64.9	Low	70 Å²	70	96.3 Å²	96.3	46%	0.455	53%	0.525	S	S	.	.			trans	-56.6	119.5	-176.6	22.3	-31.9	0	0	0	107.6	I13 E32	P11-I13 PolarHBondContact O-N 3.1Å; P11-E32 HydrophobicContact CB-CG 4.13Å
12	I	82	Confident	67.5	Low	83 Å²	83	89.5 Å²	89.5	43%	0.426	51%	0.507	S	S	.	.			trans	-66.9	112.5	178.6	-62.9	172.9	0	0	0	106.2	E10 L33 F53	E10-I12 PolarHBondContact O-N 3.37Å; I12-L33 HydrophobicContact CB-CB 3.98Å; I12-L33 HydrophobicContact CB-CD2 4.09Å; I12-L33 HydrophobicContact CD1-CD2 4.02Å; I12-L33 HydrophobicContact CG2-CB 4.24Å; I12-L33 HydrophobicContact CG2-CD2 4.11Å; I12-L33 WeakPolarHBondContact O-CB 3.29Å; I12-L33 PolarHBondContact O-N 2.99Å; I12-F53 HydrophobicContact CD1-CD1 4.39Å; I12-F53 HydrophobicContact CG2-CD1 4.29Å; I12-F53 HydrophobicContact CG2-CE1 3.7Å; I12-F53 HydrophobicContact CG2-CZ 3.88Å
13	I	83.7	Confident	70.1	Confident	106 Å²	106	88.6 Å²	88.6	54%	0.544	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.6	178.8	-60.3	176.2	0	0	0	108.3	P11 R30 C31	P11-I13 PolarHBondContact O-N 3.1Å; I13-R30 HydrophobicContact CG2-CB 3.81Å; I13-R30 HydrophobicContact CG2-CG 4.3Å; I13-C31 CarbonylContact C-O 3.59Å; I13-C31 WeakPolarHBondContact CA-O 3.32Å
14	V	85.4	Confident	72.5	Confident	10 Å²	10	86.4 Å²	86.4	6%	0.061	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.9	173	-176.7	0	0	0	0	108.5	C31 L33 L36 L47 F53 I59	V14-C31 PolarHBondContact N-O 2.96Å; V14-C31 PolarHBondContact O-N 3.22Å; V14-L33 HydrophobicContact CG2-CB 4.09Å; V14-L33 HydrophobicContact CG2-CD1 3.81Å; V14-L36 HydrophobicContact CB-CD2 4.47Å; V14-L36 HydrophobicContact CG1-CD2 4.36Å; V14-L47 HydrophobicContact CG2-CD1 4.49Å; V14-F53 HydrophobicContact CG2-CE2 4.1Å; V14-F53 HydrophobicContact CG2-CZ 4.06Å; V14-I59 HydrophobicContact CG1-CD1 3.83Å
15	T	87.1	Confident	74.9	Confident	61 Å²	61	83.3 Å²	83.3	37%	0.374	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.9	172.6	-56.5	0	0	0	0	108.8	D28 F29	T15-D28 HydrophobicContact CG2-CB 3.8Å; T15-F29 WeakPolarHBondContact CA-O 3.5Å
16	V	88.3	Confident	77.4	Confident	1 Å²	1	82 Å²	82	1%	0.006	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.3	172.8	-179.1	0	0	0	0	107.9	V18 F29 I59 V61 F68	V16-V18 HydrophobicContact CG1-CG2 4.09Å; V16-F29 PolarHBondContact N-O 3.39Å; V16-F29 PolarHBondContact O-N 2.81Å; V16-I59 HydrophobicContact CB-CG2 4.46Å; V16-I59 HydrophobicContact CG1-CB 4.31Å; V16-I59 HydrophobicContact CG1-CG2 3.77Å; V16-I59 HydrophobicContact CG2-CB 4.27Å; V16-I59 HydrophobicContact CG2-CD1 4.14Å; V16-I59 HydrophobicContact CG2-CG2 4.21Å; V16-V61 HydrophobicContact CG1-CB 4.42Å; V16-V61 HydrophobicContact CG1-CG2 3.68Å; V16-F68 HydrophobicContact CB-CE1 4.42Å; V16-F68 HydrophobicContact CB-CZ 4.11Å; V16-F68 HydrophobicContact CG1-CE1 4.23Å; V16-F68 HydrophobicContact CG1-CE2 4.27Å; V16-F68 HydrophobicContact CG1-CZ 3.64Å
17	K	89.6	Confident	79.9	Confident	74 Å²	74	83.4 Å²	83.4	32%	0.322	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.5	175.6	-175.1	168.6	-173.8	-174.2	0	109	E26 D28 I59 L60 V61	K17-E26 VanDerWaalsContact CE-CD 3.43Å; K17-E26 WeakPolarHBondContact CE-OE2 3.27Å; K17-E26 VanDerWaalsContact NZ-CD 3.27Å; K17-E26 IonicContact NZ-OE1 3.32Å; K17-E26 PolarHBondContact NZ-OE1 3.42Å; K17-E26 IonicContact NZ-OE2 2.72Å; K17-E26 PolarHBondContact NZ-OE2 2.9Å; K17-D28 WeakPolarHBondContact CG-OD1 3.4Å; K17-I59 PolarHBondContact N-O 3.45Å; K17-L60 HydrophobicContact CB-CD1 4.14Å; K17-L60 HydrophobicContact CD-CD1 4.18Å; K17-L60 HydrophobicContact CG-CD1 3.93Å; K17-L60 CarbonylContact O-C 3.59Å; K17-L60 WeakPolarHBondContact O-CA 3.41Å; K17-V61 PolarHBondContact O-N 3.27Å
18	V	90.6	Very high	82.3	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.5	-178.8	-176.5	0	0	0	0	109.7	V16 E26 Q27 F29 V61 C63 L65 F68	V16-V18 HydrophobicContact CG1-CG2 4.09Å; V18-E26 CarbonylContact O-C 3.49Å; V18-E26 VanDerWaalsContact O-CA 3.3Å; V18-E26 WeakPolarHBondContact O-CA 3.45Å; V18-Q27 PolarHBondContact N-O 3.42Å; V18-Q27 PolarHBondContact O-N 3.31Å; V18-F29 HydrophobicContact CB-CD2 3.94Å; V18-F29 HydrophobicContact CB-CE2 3.84Å; V18-F29 HydrophobicContact CG2-CD2 3.46Å; V18-F29 VanDerWaalsContact CG2-CD2 3.46Å; V18-F29 HydrophobicContact CG2-CE2 3.8Å; V18-V61 CarbonylContact C-O 3.07Å; V18-V61 VanDerWaalsContact CA-O 3.27Å; V18-V61 WeakPolarHBondContact CA-O 3.48Å; V18-V61 HydrophobicContact CG2-CB 4.36Å; V18-C63 VanDerWaalsContact CG1-SG 3.54Å; V18-L65 HydrophobicContact CB-CD2 4Å; V18-L65 HydrophobicContact CG1-CD2 3.85Å; V18-F68 HydrophobicContact CG1-CB 4.16Å; V18-F68 HydrophobicContact CG1-CG 4.35Å; V18-F68 HydrophobicContact CG2-CB 4.27Å; V18-F68 HydrophobicContact CG2-CD1 3.49Å; V18-F68 VanDerWaalsContact CG2-CD1 3.49Å; V18-F68 HydrophobicContact CG2-CD2 4.02Å; V18-F68 HydrophobicContact CG2-CE1 3.71Å; V18-F68 HydrophobicContact CG2-CE2 4.23Å; V18-F68 HydrophobicContact CG2-CG 3.63Å; V18-F68 HydrophobicContact CG2-CZ 4.08Å
19	C	89.2	Confident	84.6	Confident	28 Å²	28	75 Å²	75	19%	0.189	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.1	178.7	-171.9	0	0	0	0	110	V61 H62 C63	C19-V61 PolarHBondContact N-O 2.89Å; C19-H62 WeakPolarHBondContact O-CA 3.46Å; C19-C63 PolarHBondContact O-N 3.47Å; C19-C63 VanDerWaalsContact O-N 3.13Å
20	D	90.2	Very high	86.2	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.021	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	97.2	171.8	-179.4	-19	0	0	0	109.1	A22 K23 G24 V25 C63 L65	D20-A22 VanDerWaalsContact C-N 3.26Å; D20-A22 PolarHBondContact O-N 2.92Å; D20-A22 WeakPolarHBondContact OD1-CB 3.38Å; D20-A22 PolarHBondContact OD1-N 2.64Å; D20-K23 PolarHBondContact O-N 3.41Å; D20-K23 PolarHBondContact OD1-N 3.38Å; D20-K23 WeakPolarHBondContact OD2-CD 3.23Å; D20-K23 WeakPolarHBondContact OD2-CG 3.3Å; D20-K23 IonicContact OD2-NZ 3.56Å; D20-K23 PolarHBondContact OD2-NZ 2.86Å; D20-G24 WeakPolarHBondContact O-CA 3.48Å; D20-G24 PolarHBondContact O-N 2.82Å; D20-V25 PolarHBondContact N-O 2.9Å; D20-V25 PolarHBondContact O-N 3.38Å; D20-V25 VanDerWaalsContact O-N 3.16Å; D20-C63 WeakPolarHBondContact CA-O 3.45Å; D20-C63 WeakPolarHBondContact CB-O 3.4Å; D20-L65 HydrophobicContact CB-CD1 4.24Å; D20-L65 HydrophobicContact CB-CG 3.76Å; D20-L65 PolarHBondContact OD2-N 3.36Å
21	E	86.9	Confident	87.3	Confident	141 Å²	141	67.2 Å²	67.2	66%	0.659	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-30.8	-179.3	-65.2	-179	178.6	0	0	113.1	K23 G24 H62	E21-K23 VanDerWaalsContact C-N 3.33Å; E21-G24 PolarHBondContact O-N 2.94Å; E21-H62 IonicContact OE1-CE1 2.9Å; E21-H62 IonicContact OE1-CG 3.36Å; E21-H62 IonicContact OE1-ND1 2.78Å; E21-H62 PolarHBondContact OE1-ND1 3.47Å
22	A	84.9	Confident	88.2	Confident	100 Å²	100	66.7 Å²	66.7	83%	0.826	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-34	-178.7	0	0	0	0	0	111.5	D20	D20-A22 VanDerWaalsContact C-N 3.26Å; D20-A22 PolarHBondContact O-N 2.92Å; D20-A22 WeakPolarHBondContact OD1-CB 3.38Å; D20-A22 PolarHBondContact OD1-N 2.64Å
23	K	87.9	Confident	88.3	Confident	103 Å²	103	63.4 Å²	63.4	45%	0.448	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-15	175.4	-57.9	-170.2	-167.6	90.7	0	113.1	D20 E21 V25 D64	D20-K23 PolarHBondContact O-N 3.41Å; D20-K23 PolarHBondContact OD1-N 3.38Å; D20-K23 WeakPolarHBondContact OD2-CD 3.23Å; D20-K23 WeakPolarHBondContact OD2-CG 3.3Å; D20-K23 IonicContact OD2-NZ 3.56Å; D20-K23 PolarHBondContact OD2-NZ 2.86Å; E21-K23 VanDerWaalsContact C-N 3.33Å; K23-V25 VanDerWaalsContact C-N 3.32Å; K23-V25 HydrophobicContact CB-CG2 4.15Å; K23-D64 VanDerWaalsContact NZ-CG 3.25Å; K23-D64 IonicContact NZ-OD1 2.87Å; K23-D64 PolarHBondContact NZ-OD1 3.17Å; K23-D64 VanDerWaalsContact NZ-OD1 3.16Å; K23-D64 IonicContact NZ-OD2 3.29Å; K23-D64 PolarHBondContact NZ-OD2 3.32Å
24	G	87.6	Confident	88.4	Confident	68 Å²	68	63.6 Å²	63.6	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	30.5	-174.5	0	0	0	0	0	113.3	D20 E21	D20-G24 WeakPolarHBondContact O-CA 3.48Å; D20-G24 PolarHBondContact O-N 2.82Å; E21-G24 PolarHBondContact O-N 2.94Å
25	V	91.9	Very high	88.5	Confident	69 Å²	69	64 Å²	64	42%	0.418	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138	-175.4	-177	0	0	0	0	110	D20 K23 L65	D20-V25 PolarHBondContact N-O 2.9Å; D20-V25 PolarHBondContact O-N 3.38Å; D20-V25 VanDerWaalsContact O-N 3.16Å; K23-V25 VanDerWaalsContact C-N 3.32Å; K23-V25 HydrophobicContact CB-CG2 4.15Å; V25-L65 HydrophobicContact CB-CD1 3.96Å; V25-L65 HydrophobicContact CG1-CD1 3.76Å
26	E	90.2	Very high	88.6	Confident	119 Å²	119	61.1 Å²	61.1	56%	0.556	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.8	171	53.5	177.2	-157.2	0	0	110.8	K17 V18	K17-E26 VanDerWaalsContact CE-CD 3.43Å; K17-E26 WeakPolarHBondContact CE-OE2 3.27Å; K17-E26 VanDerWaalsContact NZ-CD 3.27Å; K17-E26 IonicContact NZ-OE1 3.32Å; K17-E26 PolarHBondContact NZ-OE1 3.42Å; K17-E26 IonicContact NZ-OE2 2.72Å; K17-E26 PolarHBondContact NZ-OE2 2.9Å; V18-E26 CarbonylContact O-C 3.49Å; V18-E26 VanDerWaalsContact O-CA 3.3Å; V18-E26 WeakPolarHBondContact O-CA 3.45Å
27	Q	91.8	Very high	88.4	Confident	88 Å²	88	62.2 Å²	62.2	41%	0.411	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.6	178.9	-173.7	177.2	-13.2	0	0	110.6	V18 F29 L65	V18-Q27 PolarHBondContact N-O 3.42Å; V18-Q27 PolarHBondContact O-N 3.31Å; Q27-F29 HydrophobicContact CB-CE2 4.01Å; Q27-F29 HydrophobicContact CG-CE2 4.04Å; Q27-F29 HydrophobicContact CG-CZ 4.23Å; Q27-L65 HydrophobicContact CB-CD1 4.38Å; Q27-L65 HydrophobicContact CB-CD2 3.65Å
28	D	90.7	Very high	88.3	Confident	95 Å²	95	64.7 Å²	64.7	51%	0.508	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.3	177.2	-68.6	-11.8	0	0	0	110.7	T15 K17	T15-D28 HydrophobicContact CG2-CB 3.8Å; K17-D28 WeakPolarHBondContact CG-OD1 3.4Å
29	F	89.9	Confident	88.2	Confident	15 Å²	15	66.5 Å²	66.5	7%	0.066	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.5	175.2	-69	-91.3	0	0	0	110.2	T15 V16 V18 Q27 L65 F68 E69 L72	T15-F29 WeakPolarHBondContact CA-O 3.5Å; V16-F29 PolarHBondContact N-O 3.39Å; V16-F29 PolarHBondContact O-N 2.81Å; V18-F29 HydrophobicContact CB-CD2 3.94Å; V18-F29 HydrophobicContact CB-CE2 3.84Å; V18-F29 HydrophobicContact CG2-CD2 3.46Å; V18-F29 VanDerWaalsContact CG2-CD2 3.46Å; V18-F29 HydrophobicContact CG2-CE2 3.8Å; Q27-F29 HydrophobicContact CB-CE2 4.01Å; Q27-F29 HydrophobicContact CG-CE2 4.04Å; Q27-F29 HydrophobicContact CG-CZ 4.23Å; F29-L65 HydrophobicContact CE2-CD2 3.81Å; F29-L65 HydrophobicContact CZ-CD2 4.25Å; F29-F68 HydrophobicContact CB-CD1 4.27Å; F29-F68 HydrophobicContact CB-CE1 3.81Å; F29-F68 HydrophobicContact CD1-CD1 4.19Å; F29-F68 HydrophobicContact CD1-CE1 4.5Å; F29-F68 AromaticContact CD2-CD1 3.7Å; F29-F68 HydrophobicContact CD2-CD1 3.7Å; F29-F68 HydrophobicContact CD2-CE1 4.01Å; F29-F68 HydrophobicContact CE1-CD1 4.48Å; F29-F68 HydrophobicContact CE2-CD1 4Å; F29-F68 AromaticContact CG-CD1 3.79Å; F29-F68 HydrophobicContact CG-CD1 3.79Å; F29-F68 AromaticContact CG-CE1 3.86Å; F29-F68 HydrophobicContact CG-CE1 3.86Å; F29-F68 HydrophobicContact CZ-CD1 4.38Å; F29-E69 HydrophobicContact CE1-CB 3.94Å; F29-E69 HydrophobicContact CE1-CG 4.34Å; F29-E69 HydrophobicContact CZ-CB 4.26Å; F29-L72 HydrophobicContact CB-CD2 4.04Å; F29-L72 HydrophobicContact CD1-CD2 3.82Å; F29-L72 HydrophobicContact CG-CD2 4.35Å
30	R	88.5	Confident	88.3	Confident	174 Å²	174	65.1 Å²	65.1	66%	0.657	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.1	177.6	-66.1	-177.7	-179	-179	0.3	110	I13 R76	I13-R30 HydrophobicContact CG2-CB 3.81Å; I13-R30 HydrophobicContact CG2-CG 4.3Å; R30-R76 PolarHBondContact O-NH1 3.07Å; R30-R76 PolarHBondContact O-NH2 2.9Å
31	C	87	Confident	88.2	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.02	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.7	178.8	-165.1	0	0	0	0	111.8	I13 V14 L72	I13-C31 CarbonylContact C-O 3.59Å; I13-C31 WeakPolarHBondContact CA-O 3.32Å; V14-C31 PolarHBondContact N-O 2.96Å; V14-C31 PolarHBondContact O-N 3.22Å; C31-L72 HydrophobicContact CB-CD1 3.78Å; C31-L72 WeakPolarHBondContact SG-CD1 3.4Å
32	E	88.2	Confident	88.3	Confident	59 Å²	59	63.2 Å²	63.2	28%	0.276	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.5	170.6	-64	174.9	-157.5	0	0	109.4	P11 D34 V35 L36	P11-E32 HydrophobicContact CB-CG 4.13Å; E32-D34 VanDerWaalsContact C-N 3.28Å; E32-D34 PolarHBondContact O-N 3.36Å; E32-V35 HydrophobicContact CB-CB 4.4Å; E32-V35 HydrophobicContact CB-CG2 4.03Å; E32-V35 PolarHBondContact O-N 3.04Å; E32-L36 PolarHBondContact O-N 3.17Å; E32-L36 VanDerWaalsContact O-N 3.08Å
33	L	85.7	Confident	88.5	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-54.9	-44.7	-178.8	178.9	63.8	0	0	0	111.5	I12 V14 V35 L36 M37 L47 F53	I12-L33 HydrophobicContact CB-CB 3.98Å; I12-L33 HydrophobicContact CB-CD2 4.09Å; I12-L33 HydrophobicContact CD1-CD2 4.02Å; I12-L33 HydrophobicContact CG2-CB 4.24Å; I12-L33 HydrophobicContact CG2-CD2 4.11Å; I12-L33 WeakPolarHBondContact O-CB 3.29Å; I12-L33 PolarHBondContact O-N 2.99Å; V14-L33 HydrophobicContact CG2-CB 4.09Å; V14-L33 HydrophobicContact CG2-CD1 3.81Å; L33-V35 PolarHBondContact O-N 3.4Å; L33-L36 WeakPolarHBondContact O-CB 3.42Å; L33-L36 PolarHBondContact O-N 3.36Å; L33-M37 HydrophobicContact CD1-CG 3.94Å; L33-M37 HydrophobicContact CD1-SD 4.32Å; L33-M37 HydrophobicContact CG-CG 4.17Å; L33-M37 WeakPolarHBondContact O-CB 3.47Å; L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.17Å; L33-L47 HydrophobicContact CD1-CD1 3.72Å; L33-F53 HydrophobicContact CD1-CD2 3.74Å; L33-F53 HydrophobicContact CD1-CE2 3.55Å; L33-F53 HydrophobicContact CD2-CB 4.32Å; L33-F53 HydrophobicContact CD2-CD1 4.48Å; L33-F53 HydrophobicContact CD2-CD2 3.43Å; L33-F53 VanDerWaalsContact CD2-CD2 3.43Å; L33-F53 HydrophobicContact CD2-CE2 3.79Å; L33-F53 HydrophobicContact CD2-CG 3.82Å; L33-F53 HydrophobicContact CD2-CZ 4.44Å; L33-F53 HydrophobicContact CG-CD2 4.26Å; L33-F53 HydrophobicContact CG-CE2 4.3Å
34	D	86.3	Confident	88.3	Confident	111 Å²	111	59.1 Å²	59.1	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-62.5	-41.9	-177.1	-67.9	-23.2	0	0	0	112.1	E32 M37 I38	E32-D34 VanDerWaalsContact C-N 3.28Å; E32-D34 PolarHBondContact O-N 3.36Å; D34-M37 PolarHBondContact O-N 3.14Å; D34-I38 WeakPolarHBondContact O-CB 3.35Å; D34-I38 VanDerWaalsContact O-CG1 3.26Å; D34-I38 WeakPolarHBondContact O-CG1 3.26Å; D34-I38 PolarHBondContact O-N 2.82Å
35	V	87.3	Confident	88.1	Confident	17 Å²	17	60.7 Å²	60.7	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-45.8	175.5	177.3	0	0	0	0	110.5	E32 L33 M37 I38 E39 A75 R76 I79	E32-V35 HydrophobicContact CB-CB 4.4Å; E32-V35 HydrophobicContact CB-CG2 4.03Å; E32-V35 PolarHBondContact O-N 3.04Å; L33-V35 PolarHBondContact O-N 3.4Å; V35-M37 VanDerWaalsContact C-N 3.28Å; V35-M37 PolarHBondContact O-N 3.38Å; V35-I38 PolarHBondContact O-N 3.32Å; V35-E39 WeakPolarHBondContact O-CB 3.46Å; V35-E39 PolarHBondContact O-N 3.39Å; V35-A75 HydrophobicContact CG1-CB 3.9Å; V35-A75 WeakPolarHBondContact CG1-O 3.25Å; V35-R76 HydrophobicContact CG1-CG 4.37Å; V35-I79 HydrophobicContact CG2-CD1 3.43Å; V35-I79 VanDerWaalsContact CG2-CD1 3.43Å
36	L	87.4	Confident	87.7	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-37.8	178.9	-164	70.3	0	0	0	111.5	V14 E32 L33 M40 F43 L47 I59	V14-L36 HydrophobicContact CB-CD2 4.47Å; V14-L36 HydrophobicContact CG1-CD2 4.36Å; E32-L36 PolarHBondContact O-N 3.17Å; E32-L36 VanDerWaalsContact O-N 3.08Å; L33-L36 WeakPolarHBondContact O-CB 3.42Å; L33-L36 PolarHBondContact O-N 3.36Å; L36-M40 HydrophobicContact CD1-CB 4.23Å; L36-M40 HydrophobicContact CD1-SD 3.74Å; L36-M40 CarbonylContact O-C 3.58Å; L36-M40 VanDerWaalsContact O-C 3.23Å; L36-M40 WeakPolarHBondContact O-CA 3.44Å; L36-M40 WeakPolarHBondContact O-CB 3.12Å; L36-M40 PolarHBondContact O-N 3.44Å; L36-M40 VanDerWaalsContact O-N 3.09Å; L36-F43 HydrophobicContact CD1-CD2 3.42Å; L36-F43 VanDerWaalsContact CD1-CD2 3.42Å; L36-F43 HydrophobicContact CD1-CE2 3.64Å; L36-F43 HydrophobicContact CD1-CG 4.27Å; L36-F43 HydrophobicContact CD2-CB 4.09Å; L36-F43 HydrophobicContact CD2-CD2 4.04Å; L36-F43 HydrophobicContact CD2-CG 4.06Å; L36-F43 HydrophobicContact CG-CB 4.09Å; L36-F43 HydrophobicContact CG-CD2 3.59Å; L36-F43 HydrophobicContact CG-CE2 4.31Å; L36-F43 HydrophobicContact CG-CG 4.05Å; L36-L47 HydrophobicContact CD2-CD1 3.74Å; L36-I59 HydrophobicContact CD2-CD1 4.22Å
37	M	85.4	Confident	87.3	Confident	24 Å²	24	57 Å²	57	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-75	-31.4	-179.7	-65.5	-64	76.6	0	0	114.5	L33 D34 V35 F43 K44 L47 I48	L33-M37 HydrophobicContact CD1-CG 3.94Å; L33-M37 HydrophobicContact CD1-SD 4.32Å; L33-M37 HydrophobicContact CG-CG 4.17Å; L33-M37 WeakPolarHBondContact O-CB 3.47Å; L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.17Å; D34-M37 PolarHBondContact O-N 3.14Å; V35-M37 VanDerWaalsContact C-N 3.28Å; V35-M37 PolarHBondContact O-N 3.38Å; M37-F43 HydrophobicContact CE-CB 3.54Å; M37-K44 VanDerWaalsContact CE-CA 3.43Å; M37-K44 HydrophobicContact CE-CB 3.95Å; M37-K44 WeakPolarHBondContact SD-CA 3.47Å; M37-K44 HydrophobicContact SD-CB 3.8Å; M37-K44 HydrophobicContact SD-CG 3.92Å; M37-L47 HydrophobicContact CE-CB 4.43Å; M37-L47 HydrophobicContact CE-CD1 3.9Å; M37-L47 HydrophobicContact SD-CB 4.29Å; M37-I48 HydrophobicContact CG-CD1 4.26Å; M37-I48 HydrophobicContact SD-CD1 3.7Å; M37-I48 HydrophobicContact SD-CG1 3.98Å
38	I	87.3	Confident	86.7	Confident	127 Å²	127	55.7 Å²	55.7	65%	0.651	27%	0.266	S	S	*	.	H	α-helix	trans	-84.5	-51.6	-179.7	-66.5	167.7	0	0	0	110.5	D34 V35	D34-I38 WeakPolarHBondContact O-CB 3.35Å; D34-I38 VanDerWaalsContact O-CG1 3.26Å; D34-I38 WeakPolarHBondContact O-CG1 3.26Å; D34-I38 PolarHBondContact O-N 2.82Å; V35-I38 PolarHBondContact O-N 3.32Å
39	E	88.2	Confident	86	Confident	37 Å²	37	57.9 Å²	57.9	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-90.6	-21.9	-170.6	-66.8	-73.9	161	0	0	113.2	V35 P41 A75 K77 M106	V35-E39 WeakPolarHBondContact O-CB 3.46Å; V35-E39 PolarHBondContact O-N 3.39Å; E39-P41 WeakPolarHBondContact O-CD 3.43Å; E39-A75 HydrophobicContact CB-CB 3.75Å; E39-A75 HydrophobicContact CG-CB 4.24Å; E39-K77 IonicContact OE1-NZ 2.69Å; E39-K77 IonicContact OE2-NZ 3.77Å; E39-M106 VanDerWaalsContact O-CG 3.29Å; E39-M106 WeakPolarHBondContact O-CG 3.37Å
40	M	90.8	Very high	85.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.308	C	S	.	.			trans	-125.7	68.5	177.8	-62.5	-179.4	175	0	0	112.1	L36 Y42 F43 L71 A75 L104 M106	L36-M40 HydrophobicContact CD1-CB 4.23Å; L36-M40 HydrophobicContact CD1-SD 3.74Å; L36-M40 CarbonylContact O-C 3.58Å; L36-M40 VanDerWaalsContact O-C 3.23Å; L36-M40 WeakPolarHBondContact O-CA 3.44Å; L36-M40 WeakPolarHBondContact O-CB 3.12Å; L36-M40 PolarHBondContact O-N 3.44Å; L36-M40 VanDerWaalsContact O-N 3.09Å; M40-Y42 PolarHBondContact O-N 3.35Å; M40-F43 HydrophobicContact CB-CD2 3.64Å; M40-F43 HydrophobicContact CB-CE2 3.91Å; M40-F43 HydrophobicContact CG-CE2 4.46Å; M40-F43 PolarHBondContact O-N 2.72Å; M40-F43 VanDerWaalsContact O-N 3.09Å; M40-F43 HydrophobicContact SD-CD2 4.32Å; M40-F43 HydrophobicContact SD-CE2 3.75Å; M40-L71 HydrophobicContact CE-CB 3.73Å; M40-L71 WeakPolarHBondContact CE-O 3.43Å; M40-A75 HydrophobicContact CE-CB 4.15Å; M40-L104 CarbonylContact C-O 3.47Å; M40-L104 HydrophobicContact CE-CD1 4.25Å; M40-L104 HydrophobicContact CG-CD1 4.48Å; M40-L104 HydrophobicContact SD-CD1 4.07Å; M40-M106 HydrophobicContact CE-CE 4.05Å; M40-M106 HydrophobicContact CE-SD 3.96Å; M40-M106 HydrophobicContact CG-CE 4.08Å; M40-M106 HydrophobicContact CG-CG 4.18Å; M40-M106 HydrophobicContact CG-SD 3.9Å
41	P	89.5	Confident	84.5	Confident	41 Å²	41	59.5 Å²	59.5	27%	0.266	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-58.8	-18.9	-170.4	-24.2	34.4	0	0	0	115.1	E39 F43 K44 L104 K105	E39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-F43 PolarHBondContact O-N 2.86Å; P41-K44 WeakPolarHBondContact O-CB 3.25Å; P41-K44 PolarHBondContact O-N 3.44Å; P41-L104 WeakPolarHBondContact CD-O 3.19Å; P41-K105 HydrophobicContact CB-CB 4.28Å; P41-K105 WeakPolarHBondContact CD-O 3.31Å; P41-K105 HydrophobicContact CG-CB 4.49Å
42	Y	89.1	Confident	83.9	Confident	64 Å²	64	66.5 Å²	66.5	25%	0.251	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-52.9	-41.6	173.2	179.2	-93.4	0	0	0	112.7	M40 K44 F46 F103 L104	M40-Y42 PolarHBondContact O-N 3.35Å; Y42-K44 PolarHBondContact O-N 3.23Å; Y42-F46 HydrophobicContact CD1-CD2 4.45Å; Y42-F46 HydrophobicContact CD1-CE2 4.11Å; Y42-F46 HydrophobicContact CD2-CE2 4.46Å; Y42-F46 HydrophobicContact CE1-CD2 4.13Å; Y42-F46 AromaticContact CE1-CE2 3.56Å; Y42-F46 HydrophobicContact CE1-CE2 3.56Å; Y42-F46 HydrophobicContact CE1-CZ 4.4Å; Y42-F46 AromaticContact CE2-CE2 3.96Å; Y42-F46 HydrophobicContact CE2-CE2 3.96Å; Y42-F46 HydrophobicContact CE2-CZ 4.49Å; Y42-F46 AromaticContact CZ-CE2 3.47Å; Y42-F46 VanDerWaalsContact CZ-CE2 3.47Å; Y42-F46 AromaticContact CZ-CZ 3.98Å; Y42-F46 VanDerWaalsContact O-CD2 3.29Å; Y42-F46 WeakPolarHBondContact O-CD2 3.45Å; Y42-F103 HydrophobicContact CD1-CE1 4.32Å; Y42-F103 HydrophobicContact CD2-CE1 4.47Å; Y42-F103 WeakPolarHBondContact CD2-O 3Å; Y42-F103 AromaticContact CE1-CE1 3.91Å; Y42-F103 HydrophobicContact CE1-CE1 3.91Å; Y42-F103 HydrophobicContact CE1-CZ 4.21Å; Y42-F103 HydrophobicContact CE2-CE1 4.07Å; Y42-F103 HydrophobicContact CE2-CE2 4.36Å; Y42-F103 AromaticContact CE2-CZ 3.86Å; Y42-F103 HydrophobicContact CE2-CZ 3.86Å; Y42-F103 AromaticContact CZ-CE1 3.78Å; Y42-F103 AromaticContact CZ-CZ 3.62Å; Y42-L104 WeakPolarHBondContact CB-O 3.31Å; Y42-L104 HydrophobicContact CD1-CD2 4.25Å; Y42-L104 HydrophobicContact CG-CD2 4.5Å; Y42-L104 PolarHBondContact N-O 2.95Å
43	F	87.1	Confident	83.3	Confident	8 Å²	8	66.6 Å²	66.6	4%	0.035	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-69.2	-21.4	179.8	-63.1	-64.5	0	0	0	112.8	L36 M37 M40 P41 D45 F46 L47 I59 V61 L104	L36-F43 HydrophobicContact CD1-CD2 3.42Å; L36-F43 VanDerWaalsContact CD1-CD2 3.42Å; L36-F43 HydrophobicContact CD1-CE2 3.64Å; L36-F43 HydrophobicContact CD1-CG 4.27Å; L36-F43 HydrophobicContact CD2-CB 4.09Å; L36-F43 HydrophobicContact CD2-CD2 4.04Å; L36-F43 HydrophobicContact CD2-CG 4.06Å; L36-F43 HydrophobicContact CG-CB 4.09Å; L36-F43 HydrophobicContact CG-CD2 3.59Å; L36-F43 HydrophobicContact CG-CE2 4.31Å; L36-F43 HydrophobicContact CG-CG 4.05Å; M37-F43 HydrophobicContact CE-CB 3.54Å; M40-F43 HydrophobicContact CB-CD2 3.64Å; M40-F43 HydrophobicContact CB-CE2 3.91Å; M40-F43 HydrophobicContact CG-CE2 4.46Å; M40-F43 PolarHBondContact O-N 2.72Å; M40-F43 VanDerWaalsContact O-N 3.09Å; M40-F43 HydrophobicContact SD-CD2 4.32Å; M40-F43 HydrophobicContact SD-CE2 3.75Å; P41-F43 PolarHBondContact O-N 2.86Å; F43-D45 VanDerWaalsContact C-N 3.26Å; F43-D45 PolarHBondContact O-N 3.38Å; F43-F46 PolarHBondContact O-N 3.28Å; F43-F46 VanDerWaalsContact O-N 3.1Å; F43-L47 HydrophobicContact CB-CD1 4.19Å; F43-L47 WeakPolarHBondContact O-CB 3.39Å; F43-L47 PolarHBondContact O-N 3.2Å; F43-I59 HydrophobicContact CD1-CD1 3.93Å; F43-I59 HydrophobicContact CD1-CG2 4.04Å; F43-I59 HydrophobicContact CE1-CD1 4.34Å; F43-I59 HydrophobicContact CE1-CG2 3.49Å; F43-I59 VanDerWaalsContact CE1-CG2 3.49Å; F43-I59 HydrophobicContact CZ-CG2 4.35Å; F43-V61 HydrophobicContact CE1-CG2 4.3Å; F43-V61 HydrophobicContact CZ-CG2 4.22Å; F43-L104 HydrophobicContact CE2-CD2 3.69Å; F43-L104 HydrophobicContact CZ-CD2 3.68Å
44	K	84.6	Confident	82.8	Confident	109 Å²	109	68.8 Å²	68.8	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-37.8	-177.9	-170.3	-176.3	176.2	179.1	0	111.9	M37 P41 Y42 F46 I48	M37-K44 VanDerWaalsContact CE-CA 3.43Å; M37-K44 HydrophobicContact CE-CB 3.95Å; M37-K44 WeakPolarHBondContact SD-CA 3.47Å; M37-K44 HydrophobicContact SD-CB 3.8Å; M37-K44 HydrophobicContact SD-CG 3.92Å; P41-K44 WeakPolarHBondContact O-CB 3.25Å; P41-K44 PolarHBondContact O-N 3.44Å; Y42-K44 PolarHBondContact O-N 3.23Å; K44-F46 PolarHBondContact O-N 3.31Å; K44-I48 HydrophobicContact CG-CD1 4.11Å; K44-I48 PolarHBondContact O-N 2.69Å
45	D	83	Confident	82	Confident	100 Å²	100	68.3 Å²	68.3	54%	0.535	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-19.3	-179.8	-61.8	-27.5	0	0	0	112.3	F43 K105	F43-D45 VanDerWaalsContact C-N 3.26Å; F43-D45 PolarHBondContact O-N 3.38Å; D45-K105 IonicContact OD2-NZ 3.25Å; D45-K105 PolarHBondContact OD2-NZ 3.29Å
46	F	83	Confident	81.4	Confident	110 Å²	110	76.3 Å²	76.3	48%	0.482	40%	0.395	S	S	.	.	H	α-helix	trans	-109.9	-35	-177.2	-58.9	-80.7	0	0	0	113.8	Y42 F43 K44	Y42-F46 HydrophobicContact CD1-CD2 4.45Å; Y42-F46 HydrophobicContact CD1-CE2 4.11Å; Y42-F46 HydrophobicContact CD2-CE2 4.46Å; Y42-F46 HydrophobicContact CE1-CD2 4.13Å; Y42-F46 AromaticContact CE1-CE2 3.56Å; Y42-F46 HydrophobicContact CE1-CE2 3.56Å; Y42-F46 HydrophobicContact CE1-CZ 4.4Å; Y42-F46 AromaticContact CE2-CE2 3.96Å; Y42-F46 HydrophobicContact CE2-CE2 3.96Å; Y42-F46 HydrophobicContact CE2-CZ 4.49Å; Y42-F46 AromaticContact CZ-CE2 3.47Å; Y42-F46 VanDerWaalsContact CZ-CE2 3.47Å; Y42-F46 AromaticContact CZ-CZ 3.98Å; Y42-F46 VanDerWaalsContact O-CD2 3.29Å; Y42-F46 WeakPolarHBondContact O-CD2 3.45Å; F43-F46 PolarHBondContact O-N 3.28Å; F43-F46 VanDerWaalsContact O-N 3.1Å; K44-F46 PolarHBondContact O-N 3.31Å
47	L	82.1	Confident	80.9	Confident	1 Å²	1	78.9 Å²	78.9	1%	0.005	41%	0.41	C	S	.	.	H	α-helix	trans	-82.8	-23.1	-178.2	-70.9	-177.5	0	0	0	113.3	V14 L33 L36 M37 F43 F53 I54 V57 I59	V14-L47 HydrophobicContact CG2-CD1 4.49Å; L33-L47 HydrophobicContact CD1-CD1 3.72Å; L36-L47 HydrophobicContact CD2-CD1 3.74Å; M37-L47 HydrophobicContact CE-CB 4.43Å; M37-L47 HydrophobicContact CE-CD1 3.9Å; M37-L47 HydrophobicContact SD-CB 4.29Å; F43-L47 HydrophobicContact CB-CD1 4.19Å; F43-L47 WeakPolarHBondContact O-CB 3.39Å; F43-L47 PolarHBondContact O-N 3.2Å; L47-F53 HydrophobicContact CB-CD2 4.39Å; L47-F53 HydrophobicContact CB-CE2 4.39Å; L47-F53 HydrophobicContact CD1-CE2 4.46Å; L47-F53 HydrophobicContact CD2-CE2 4.12Å; L47-F53 WeakPolarHBondContact O-CA 3.32Å; L47-I54 PolarHBondContact O-N 3.49Å; L47-V57 HydrophobicContact CD2-CB 4.1Å; L47-V57 HydrophobicContact CD2-CG1 4.28Å; L47-I59 HydrophobicContact CD1-CD1 3.96Å; L47-I59 HydrophobicContact CD2-CD1 3.99Å; L47-I59 HydrophobicContact CD2-CG1 4.42Å; L47-I59 HydrophobicContact CG-CD1 4.19Å
48	I	79.1	Confident	80.6	Confident	60 Å²	60	86.7 Å²	86.7	31%	0.308	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	111.6	-178.2	-57.2	-178.8	0	0	0	109.5	M37 K44 Q52	M37-I48 HydrophobicContact CG-CD1 4.26Å; M37-I48 HydrophobicContact SD-CD1 3.7Å; M37-I48 HydrophobicContact SD-CG1 3.98Å; K44-I48 HydrophobicContact CG-CD1 4.11Å; K44-I48 PolarHBondContact O-N 2.69Å; I48-Q52 WeakPolarHBondContact CA-O 3.49Å
49	K	76.4	Confident	80.5	Confident	142 Å²	142	81.4 Å²	81.4	62%	0.617	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.4	170.3	-166.7	176.5	179.8	-178.8	0	108.5	G51 Q52 I54	K49-G51 PolarHBondContact O-N 3.47Å; K49-G51 VanDerWaalsContact O-N 3.09Å; K49-Q52 PolarHBondContact N-O 3.33Å; K49-Q52 VanDerWaalsContact N-O 3.11Å; K49-Q52 PolarHBondContact O-N 3.41Å; K49-I54 HydrophobicContact CB-CD1 3.75Å; K49-I54 HydrophobicContact CB-CG1 4.43Å; K49-I54 HydrophobicContact CD-CD1 4.42Å
50	D	75.5	Confident	80.4	Confident	155 Å²	155	84.4 Å²	84.4	83%	0.829	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	31.5	-177.8	-54.6	-44.9	0	0	0	114.1	Q52	D50-Q52 VanDerWaalsContact C-N 3.27Å; D50-Q52 PolarHBondContact O-N 2.84Å
51	G	71.4	Confident	80.2	Confident	68 Å²	68	85.7 Å²	85.7	70%	0.701	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	3.2	-179	0	0	0	0	0	115.2	K49	K49-G51 PolarHBondContact O-N 3.47Å; K49-G51 VanDerWaalsContact O-N 3.09Å
52	Q	74.8	Confident	80.1	Confident	149 Å²	149	88.8 Å²	88.8	70%	0.696	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.3	177.6	-62.7	-175.3	3.3	0	0	111.3	I48 K49 D50	I48-Q52 WeakPolarHBondContact CA-O 3.49Å; K49-Q52 PolarHBondContact N-O 3.33Å; K49-Q52 VanDerWaalsContact N-O 3.11Å; K49-Q52 PolarHBondContact O-N 3.41Å; D50-Q52 VanDerWaalsContact C-N 3.27Å; D50-Q52 PolarHBondContact O-N 2.84Å
53	F	74.7	Confident	80	Confident	61 Å²	61	87.2 Å²	87.2	27%	0.268	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130	174.2	173.4	-107.9	0	0	0	110.4	I12 V14 L33 L47 S55	I12-F53 HydrophobicContact CD1-CD1 4.39Å; I12-F53 HydrophobicContact CG2-CD1 4.29Å; I12-F53 HydrophobicContact CG2-CE1 3.7Å; I12-F53 HydrophobicContact CG2-CZ 3.88Å; V14-F53 HydrophobicContact CG2-CE2 4.1Å; V14-F53 HydrophobicContact CG2-CZ 4.06Å; L33-F53 HydrophobicContact CD1-CD2 3.74Å; L33-F53 HydrophobicContact CD1-CE2 3.55Å; L33-F53 HydrophobicContact CD2-CB 4.32Å; L33-F53 HydrophobicContact CD2-CD1 4.48Å; L33-F53 HydrophobicContact CD2-CD2 3.43Å; L33-F53 VanDerWaalsContact CD2-CD2 3.43Å; L33-F53 HydrophobicContact CD2-CE2 3.79Å; L33-F53 HydrophobicContact CD2-CG 3.82Å; L33-F53 HydrophobicContact CD2-CZ 4.44Å; L33-F53 HydrophobicContact CG-CD2 4.26Å; L33-F53 HydrophobicContact CG-CE2 4.3Å; L47-F53 HydrophobicContact CB-CD2 4.39Å; L47-F53 HydrophobicContact CB-CE2 4.39Å; L47-F53 HydrophobicContact CD1-CE2 4.46Å; L47-F53 HydrophobicContact CD2-CE2 4.12Å; L47-F53 WeakPolarHBondContact O-CA 3.32Å; F53-S55 WeakPolarHBondContact CE1-OG 3.48Å
54	I	75.8	Confident	80.1	Confident	60 Å²	60	89.7 Å²	89.7	31%	0.308	47%	0.466	S	S	.	.			trans	-95.9	104.9	176.4	-52.9	170	0	0	0	109	L47 K49 E56 V57	L47-I54 PolarHBondContact O-N 3.49Å; K49-I54 HydrophobicContact CB-CD1 3.75Å; K49-I54 HydrophobicContact CB-CG1 4.43Å; K49-I54 HydrophobicContact CD-CD1 4.42Å; I54-E56 VanDerWaalsContact C-N 3.25Å; I54-E56 PolarHBondContact O-N 2.86Å; I54-V57 HydrophobicContact CB-CG2 3.84Å; I54-V57 HydrophobicContact CG2-CG2 3.64Å
55	S	70.5	Confident	80.3	Confident	100 Å²	100	85.4 Å²	85.4	70%	0.699	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-16.1	-179.3	-54.1	0	0	0	0	114.7	F53	F53-S55 WeakPolarHBondContact CE1-OG 3.48Å
56	E	72.7	Confident	80.7	Confident	185 Å²	185	87.6 Å²	87.6	86%	0.864	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	10.1	-174.6	-62.7	-178.6	179.7	0	0	114	I54	I54-E56 VanDerWaalsContact C-N 3.25Å; I54-E56 PolarHBondContact O-N 2.86Å
57	V	78	Confident	81.1	Confident	55 Å²	55	83.4 Å²	83.4	33%	0.333	44%	0.435	S	S	.	.			trans	-90.4	113.9	-179.7	-176.8	0	0	0	0	110.5	L47 I54 I59	L47-V57 HydrophobicContact CD2-CB 4.1Å; L47-V57 HydrophobicContact CD2-CG1 4.28Å; I54-V57 HydrophobicContact CB-CG2 3.84Å; I54-V57 HydrophobicContact CG2-CG2 3.64Å; V57-I59 HydrophobicContact CG1-CG1 4.43Å
58	E	79.5	Confident	81.5	Confident	188 Å²	188	83.4 Å²	83.4	88%	0.879	44%	0.436	S	S	*	.			trans	-81	120.6	166.2	-69.2	-175.4	175.7	0	0	110
59	I	84.2	Confident	82.1	Confident	17 Å²	17	85.1 Å²	85.1	9%	0.087	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112	175.9	-56.8	177.2	0	0	0	108.6	V14 V16 K17 L36 F43 L47 V57 V61	V14-I59 HydrophobicContact CG1-CD1 3.83Å; V16-I59 HydrophobicContact CB-CG2 4.46Å; V16-I59 HydrophobicContact CG1-CB 4.31Å; V16-I59 HydrophobicContact CG1-CG2 3.77Å; V16-I59 HydrophobicContact CG2-CB 4.27Å; V16-I59 HydrophobicContact CG2-CD1 4.14Å; V16-I59 HydrophobicContact CG2-CG2 4.21Å; K17-I59 PolarHBondContact N-O 3.45Å; L36-I59 HydrophobicContact CD2-CD1 4.22Å; F43-I59 HydrophobicContact CD1-CD1 3.93Å; F43-I59 HydrophobicContact CD1-CG2 4.04Å; F43-I59 HydrophobicContact CE1-CD1 4.34Å; F43-I59 HydrophobicContact CE1-CG2 3.49Å; F43-I59 VanDerWaalsContact CE1-CG2 3.49Å; F43-I59 HydrophobicContact CZ-CG2 4.35Å; L47-I59 HydrophobicContact CD1-CD1 3.96Å; L47-I59 HydrophobicContact CD2-CD1 3.99Å; L47-I59 HydrophobicContact CD2-CG1 4.42Å; L47-I59 HydrophobicContact CG-CD1 4.19Å; V57-I59 HydrophobicContact CG1-CG1 4.43Å; I59-V61 HydrophobicContact CG2-CG2 3.93Å
60	L	86.8	Confident	82.9	Confident	99 Å²	99	79.4 Å²	79.4	52%	0.518	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.7	170.3	-173.3	71.9	0	0	0	109.9	K17 H62	K17-L60 HydrophobicContact CB-CD1 4.14Å; K17-L60 HydrophobicContact CD-CD1 4.18Å; K17-L60 HydrophobicContact CG-CD1 3.93Å; K17-L60 CarbonylContact O-C 3.59Å; K17-L60 WeakPolarHBondContact O-CA 3.41Å; L60-H62 VanDerWaalsContact CD2-NE2 3.33Å; L60-H62 WeakPolarHBondContact CD2-NE2 3.28Å
61	V	86.7	Confident	83.8	Confident	27 Å²	27	72.1 Å²	72.1	16%	0.164	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.3	177.4	-177.7	0	0	0	0	109.7	V16 K17 V18 C19 F43 I59 C63 F68	V16-V61 HydrophobicContact CG1-CB 4.42Å; V16-V61 HydrophobicContact CG1-CG2 3.68Å; K17-V61 PolarHBondContact O-N 3.27Å; V18-V61 CarbonylContact C-O 3.07Å; V18-V61 VanDerWaalsContact CA-O 3.27Å; V18-V61 WeakPolarHBondContact CA-O 3.48Å; V18-V61 HydrophobicContact CG2-CB 4.36Å; C19-V61 PolarHBondContact N-O 2.89Å; F43-V61 HydrophobicContact CE1-CG2 4.3Å; F43-V61 HydrophobicContact CZ-CG2 4.22Å; I59-V61 HydrophobicContact CG2-CG2 3.93Å; V61-C63 HydrophobicContact CG1-CB 4.33Å; V61-F68 HydrophobicContact CG1-CD2 4.37Å; V61-F68 HydrophobicContact CG1-CE2 4.43Å; V61-F68 HydrophobicContact CG2-CE2 4.43Å
62	H	86.8	Confident	84.6	Confident	107 Å²	107	69.6 Å²	69.6	50%	0.495	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	101.9	174.5	-67.8	-103.2	0	0	0	109.7	C19 E21 L60	C19-H62 WeakPolarHBondContact O-CA 3.46Å; E21-H62 IonicContact OE1-CE1 2.9Å; E21-H62 IonicContact OE1-CG 3.36Å; E21-H62 IonicContact OE1-ND1 2.78Å; E21-H62 PolarHBondContact OE1-ND1 3.47Å; L60-H62 VanDerWaalsContact CD2-NE2 3.33Å; L60-H62 WeakPolarHBondContact CD2-NE2 3.28Å
63	C	87.8	Confident	85.4	Confident	31 Å²	31	64.6 Å²	64.6	21%	0.209	33%	0.326	C	S	.	.	S	Bend	trans	-161.6	171.9	177.5	66.3	0	0	0	0	112.2	V18 C19 D20 V61 L65	V18-C63 VanDerWaalsContact CG1-SG 3.54Å; C19-C63 PolarHBondContact O-N 3.47Å; C19-C63 VanDerWaalsContact O-N 3.13Å; D20-C63 WeakPolarHBondContact CA-O 3.45Å; D20-C63 WeakPolarHBondContact CB-O 3.4Å; V61-C63 HydrophobicContact CG1-CB 4.33Å; C63-L65 PolarHBondContact O-N 3.35Å
64	D	88.3	Confident	86.1	Confident	60 Å²	60	61.9 Å²	61.9	32%	0.321	31%	0.314	S	S	.	.			trans	-64.5	127.2	174	-174.6	-54.1	0	0	0	110.3	K23 K66 I67 F68	K23-D64 VanDerWaalsContact NZ-CG 3.25Å; K23-D64 IonicContact NZ-OD1 2.87Å; K23-D64 PolarHBondContact NZ-OD1 3.17Å; K23-D64 VanDerWaalsContact NZ-OD1 3.16Å; K23-D64 IonicContact NZ-OD2 3.29Å; K23-D64 PolarHBondContact NZ-OD2 3.32Å; D64-K66 VanDerWaalsContact C-N 3.27Å; D64-K66 PolarHBondContact O-N 3.05Å; D64-K66 WeakPolarHBondContact OD1-CA 3.47Å; D64-K66 VanDerWaalsContact OD1-CB 3.29Å; D64-K66 WeakPolarHBondContact OD1-CB 3.21Å; D64-K66 PolarHBondContact OD1-N 3Å; D64-I67 HydrophobicContact CB-CB 4.17Å; D64-I67 HydrophobicContact CB-CG1 3.83Å; D64-I67 WeakPolarHBondContact O-CB 3.41Å; D64-I67 PolarHBondContact O-N 3.48Å; D64-F68 PolarHBondContact O-N 3.17Å
65	L	90.1	Very high	86.7	Confident	18 Å²	18	59.2 Å²	59.2	9%	0.094	30%	0.301	C	S	.	.	H	α-helix	trans	-53.6	-41.2	-179.4	-73	174.4	0	0	0	113.2	V18 D20 V25 Q27 F29 C63 I67 F68 E69	V18-L65 HydrophobicContact CB-CD2 4Å; V18-L65 HydrophobicContact CG1-CD2 3.85Å; D20-L65 HydrophobicContact CB-CD1 4.24Å; D20-L65 HydrophobicContact CB-CG 3.76Å; D20-L65 PolarHBondContact OD2-N 3.36Å; V25-L65 HydrophobicContact CB-CD1 3.96Å; V25-L65 HydrophobicContact CG1-CD1 3.76Å; Q27-L65 HydrophobicContact CB-CD1 4.38Å; Q27-L65 HydrophobicContact CB-CD2 3.65Å; F29-L65 HydrophobicContact CE2-CD2 3.81Å; F29-L65 HydrophobicContact CZ-CD2 4.25Å; C63-L65 PolarHBondContact O-N 3.35Å; L65-I67 VanDerWaalsContact C-N 3.31Å; L65-I67 PolarHBondContact O-N 3Å; L65-F68 PolarHBondContact O-N 3.03Å; L65-E69 VanDerWaalsContact O-CB 3.28Å; L65-E69 WeakPolarHBondContact O-CB 3.39Å; L65-E69 PolarHBondContact O-N 2.73Å
66	K	90.2	Very high	87.5	Confident	147 Å²	147	57.8 Å²	57.8	64%	0.639	28%	0.28	S	S	*	.	H	α-helix	trans	-68.5	-33.2	-179.8	-62.9	-174.5	175.3	-174.3	0	111.8	D64 W70	D64-K66 VanDerWaalsContact C-N 3.27Å; D64-K66 PolarHBondContact O-N 3.05Å; D64-K66 WeakPolarHBondContact OD1-CA 3.47Å; D64-K66 VanDerWaalsContact OD1-CB 3.29Å; D64-K66 WeakPolarHBondContact OD1-CB 3.21Å; D64-K66 PolarHBondContact OD1-N 3Å; K66-W70 VanDerWaalsContact O-CB 3.28Å; K66-W70 WeakPolarHBondContact O-CB 3.49Å; K66-W70 PolarHBondContact O-N 3.34Å
67	I	91.1	Very high	88	Confident	21 Å²	21	50.9 Å²	50.9	11%	0.108	25%	0.247	C	C	.	.	H	α-helix	trans	-71.8	-44.4	177.6	-61.9	-62.3	0	0	0	109.5	D64 L65 W70 L71 N93 A96 L97	D64-I67 HydrophobicContact CB-CB 4.17Å; D64-I67 HydrophobicContact CB-CG1 3.83Å; D64-I67 WeakPolarHBondContact O-CB 3.41Å; D64-I67 PolarHBondContact O-N 3.48Å; L65-I67 VanDerWaalsContact C-N 3.31Å; L65-I67 PolarHBondContact O-N 3Å; I67-W70 WeakPolarHBondContact O-CB 3.4Å; I67-W70 PolarHBondContact O-N 3.43Å; I67-L71 HydrophobicContact CG2-CD1 4.15Å; I67-L71 VanDerWaalsContact O-CG 3.22Å; I67-L71 WeakPolarHBondContact O-CG 3.32Å; I67-L71 PolarHBondContact O-N 2.96Å; I67-N93 HydrophobicContact CD1-CB 4.24Å; I67-A96 HydrophobicContact CD1-CB 3.68Å; I67-A96 HydrophobicContact CG1-CB 3.86Å; I67-A96 HydrophobicContact CG2-CB 4.39Å; I67-L97 HydrophobicContact CD1-CD2 4.49Å; I67-L97 HydrophobicContact CD1-CG 4.37Å; I67-L97 HydrophobicContact CG2-CD2 4.07Å
68	F	92.2	Very high	88.3	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-43.3	176.3	-164.7	-93.5	0	0	0	112.7	V16 V18 F29 V61 D64 L65 W70 L71 L72	V16-F68 HydrophobicContact CB-CE1 4.42Å; V16-F68 HydrophobicContact CB-CZ 4.11Å; V16-F68 HydrophobicContact CG1-CE1 4.23Å; V16-F68 HydrophobicContact CG1-CE2 4.27Å; V16-F68 HydrophobicContact CG1-CZ 3.64Å; V18-F68 HydrophobicContact CG1-CB 4.16Å; V18-F68 HydrophobicContact CG1-CG 4.35Å; V18-F68 HydrophobicContact CG2-CB 4.27Å; V18-F68 HydrophobicContact CG2-CD1 3.49Å; V18-F68 VanDerWaalsContact CG2-CD1 3.49Å; V18-F68 HydrophobicContact CG2-CD2 4.02Å; V18-F68 HydrophobicContact CG2-CE1 3.71Å; V18-F68 HydrophobicContact CG2-CE2 4.23Å; V18-F68 HydrophobicContact CG2-CG 3.63Å; V18-F68 HydrophobicContact CG2-CZ 4.08Å; F29-F68 HydrophobicContact CB-CD1 4.27Å; F29-F68 HydrophobicContact CB-CE1 3.81Å; F29-F68 HydrophobicContact CD1-CD1 4.19Å; F29-F68 HydrophobicContact CD1-CE1 4.5Å; F29-F68 AromaticContact CD2-CD1 3.7Å; F29-F68 HydrophobicContact CD2-CD1 3.7Å; F29-F68 HydrophobicContact CD2-CE1 4.01Å; F29-F68 HydrophobicContact CE1-CD1 4.48Å; F29-F68 HydrophobicContact CE2-CD1 4Å; F29-F68 AromaticContact CG-CD1 3.79Å; F29-F68 HydrophobicContact CG-CD1 3.79Å; F29-F68 AromaticContact CG-CE1 3.86Å; F29-F68 HydrophobicContact CG-CE1 3.86Å; F29-F68 HydrophobicContact CZ-CD1 4.38Å; V61-F68 HydrophobicContact CG1-CD2 4.37Å; V61-F68 HydrophobicContact CG1-CE2 4.43Å; V61-F68 HydrophobicContact CG2-CE2 4.43Å; D64-F68 PolarHBondContact O-N 3.17Å; L65-F68 PolarHBondContact O-N 3.03Å; F68-W70 VanDerWaalsContact C-N 3.3Å; F68-W70 PolarHBondContact O-N 3.45Å; F68-L71 PolarHBondContact O-N 2.97Å; F68-L71 VanDerWaalsContact O-N 3.15Å; F68-L72 WeakPolarHBondContact O-CB 3.26Å; F68-L72 PolarHBondContact O-N 2.97Å
69	E	91.4	Very high	88.4	Confident	95 Å²	95	50.6 Å²	50.6	44%	0.444	24%	0.244	S	C	.	.	H	α-helix	trans	-56.1	-46	174	-177.4	173.6	-149.8	0	0	111.1	F29 L65 L71 L72 L73	F29-E69 HydrophobicContact CE1-CB 3.94Å; F29-E69 HydrophobicContact CE1-CG 4.34Å; F29-E69 HydrophobicContact CZ-CB 4.26Å; L65-E69 VanDerWaalsContact O-CB 3.28Å; L65-E69 WeakPolarHBondContact O-CB 3.39Å; L65-E69 PolarHBondContact O-N 2.73Å; E69-L71 PolarHBondContact O-N 3.12Å; E69-L72 PolarHBondContact O-N 2.98Å; E69-L73 HydrophobicContact CG-CD1 4.46Å; E69-L73 WeakPolarHBondContact O-CG 3.28Å; E69-L73 PolarHBondContact O-N 2.87Å
70	W	93.4	Very high	88.3	Confident	23 Å²	23	53.2 Å²	53.2	9%	0.087	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-44.4	175.3	-167.4	104.9	0	0	0	112.2	K66 I67 F68 L72 L73 Y74 C87 L89 L97 L109	K66-W70 VanDerWaalsContact O-CB 3.28Å; K66-W70 WeakPolarHBondContact O-CB 3.49Å; K66-W70 PolarHBondContact O-N 3.34Å; I67-W70 WeakPolarHBondContact O-CB 3.4Å; I67-W70 PolarHBondContact O-N 3.43Å; F68-W70 VanDerWaalsContact C-N 3.3Å; F68-W70 PolarHBondContact O-N 3.45Å; W70-L72 VanDerWaalsContact C-N 3.31Å; W70-L72 PolarHBondContact O-N 2.89Å; W70-L73 PolarHBondContact O-N 3.38Å; W70-Y74 AromaticContact CH2-CD2 3.83Å; W70-Y74 HydrophobicContact CH2-CD2 3.83Å; W70-Y74 AromaticContact CZ3-CD2 3.79Å; W70-Y74 HydrophobicContact CZ3-CD2 3.79Å; W70-Y74 HydrophobicContact CZ3-CG 4.06Å; W70-Y74 PolarHBondContact O-N 2.79Å; W70-C87 HydrophobicContact CD2-CB 4.24Å; W70-C87 HydrophobicContact CG-CB 4.47Å; W70-C87 HydrophobicContact CZ2-CB 3.9Å; W70-L89 HydrophobicContact CH2-CD2 3.93Å; W70-L89 HydrophobicContact CH2-CG 4.41Å; W70-L89 HydrophobicContact CZ2-CD2 3.85Å; W70-L89 HydrophobicContact CZ2-CG 4.17Å; W70-L97 HydrophobicContact CB-CD2 4.31Å; W70-L97 HydrophobicContact CD2-CD1 3.78Å; W70-L97 HydrophobicContact CD2-CD2 3.59Å; W70-L97 HydrophobicContact CD2-CG 4.35Å; W70-L97 HydrophobicContact CE3-CD1 3.94Å; W70-L97 HydrophobicContact CE3-CD2 3.23Å; W70-L97 HydrophobicContact CE3-CG 4.22Å; W70-L97 HydrophobicContact CG-CD1 4.42Å; W70-L97 HydrophobicContact CG-CD2 4.07Å; W70-L97 HydrophobicContact CH2-CD1 4Å; W70-L97 HydrophobicContact CZ2-CD1 3.82Å; W70-L97 HydrophobicContact CZ3-CD1 4.05Å; W70-L97 HydrophobicContact CZ3-CD2 3.8Å; W70-L109 HydrophobicContact CH2-CD1 3.6Å; W70-L109 HydrophobicContact CZ3-CD1 3.58Å; W70-L109 HydrophobicContact CZ3-CD2 3.73Å; W70-L109 HydrophobicContact CZ3-CG 4.31Å
71	L	92.6	Very high	88	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-37	178.4	-67.5	167.6	0	0	0	112	M40 I67 F68 E69 Y74 A75 L97 L104 M106 L109	M40-L71 HydrophobicContact CE-CB 3.73Å; M40-L71 WeakPolarHBondContact CE-O 3.43Å; I67-L71 HydrophobicContact CG2-CD1 4.15Å; I67-L71 VanDerWaalsContact O-CG 3.22Å; I67-L71 WeakPolarHBondContact O-CG 3.32Å; I67-L71 PolarHBondContact O-N 2.96Å; F68-L71 PolarHBondContact O-N 2.97Å; F68-L71 VanDerWaalsContact O-N 3.15Å; E69-L71 PolarHBondContact O-N 3.12Å; L71-Y74 WeakPolarHBondContact O-CB 3.36Å; L71-Y74 PolarHBondContact O-N 3.31Å; L71-A75 WeakPolarHBondContact O-CB 3.28Å; L71-A75 PolarHBondContact O-N 2.8Å; L71-L97 HydrophobicContact CD2-CD2 3.89Å; L71-L97 HydrophobicContact CG-CD2 4.13Å; L71-L104 HydrophobicContact CD1-CD1 3.99Å; L71-M106 HydrophobicContact CD2-SD 3.87Å; L71-L109 HydrophobicContact CD2-CD2 3.45Å; L71-L109 VanDerWaalsContact CD2-CD2 3.45Å
72	L	90.1	Very high	87.9	Confident	14 Å²	14	55.5 Å²	55.5	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-69.7	-41.5	177.6	-173.7	64.1	0	0	0	111.6	F29 C31 F68 E69 W70 Y74 A75 R76	F29-L72 HydrophobicContact CB-CD2 4.04Å; F29-L72 HydrophobicContact CD1-CD2 3.82Å; F29-L72 HydrophobicContact CG-CD2 4.35Å; C31-L72 HydrophobicContact CB-CD1 3.78Å; C31-L72 WeakPolarHBondContact SG-CD1 3.4Å; F68-L72 WeakPolarHBondContact O-CB 3.26Å; F68-L72 PolarHBondContact O-N 2.97Å; E69-L72 PolarHBondContact O-N 2.98Å; W70-L72 VanDerWaalsContact C-N 3.31Å; W70-L72 PolarHBondContact O-N 2.89Å; L72-Y74 VanDerWaalsContact C-N 3.31Å; L72-A75 PolarHBondContact O-N 3.44Å; L72-R76 WeakPolarHBondContact O-CB 3.38Å; L72-R76 WeakPolarHBondContact O-CG 3.42Å; L72-R76 PolarHBondContact O-N 3.47Å
73	L	90.5	Very high	87.5	Confident	45 Å²	45	51.5 Å²	51.5	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-40.9	172.1	-70.6	175.7	0	0	0	111.3	E69 W70 R76 K77 A83 C87	E69-L73 HydrophobicContact CG-CD1 4.46Å; E69-L73 WeakPolarHBondContact O-CG 3.28Å; E69-L73 PolarHBondContact O-N 2.87Å; W70-L73 PolarHBondContact O-N 3.38Å; L73-R76 CarbonylContact O-C 3.53Å; L73-R76 PolarHBondContact O-N 3.31Å; L73-K77 PolarHBondContact O-N 3.38Å; L73-A83 HydrophobicContact CD2-CB 3.77Å; L73-C87 WeakPolarHBondContact CB-SG 3.27Å
74	Y	89.9	Confident	87.2	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-48.7	173.5	-175.4	-81.7	0	0	0	112	W70 L71 L72 R76 K77 Y84 M106 H108 L109 E112	W70-Y74 AromaticContact CH2-CD2 3.83Å; W70-Y74 HydrophobicContact CH2-CD2 3.83Å; W70-Y74 AromaticContact CZ3-CD2 3.79Å; W70-Y74 HydrophobicContact CZ3-CD2 3.79Å; W70-Y74 HydrophobicContact CZ3-CG 4.06Å; W70-Y74 PolarHBondContact O-N 2.79Å; L71-Y74 WeakPolarHBondContact O-CB 3.36Å; L71-Y74 PolarHBondContact O-N 3.31Å; L72-Y74 VanDerWaalsContact C-N 3.31Å; Y74-R76 PolarHBondContact O-N 3.37Å; Y74-K77 VanDerWaalsContact O-CB 3.3Å; Y74-K77 WeakPolarHBondContact O-CB 3.42Å; Y74-K77 WeakPolarHBondContact O-CD 3.17Å; Y74-K77 WeakPolarHBondContact O-CG 3.47Å; Y74-K77 PolarHBondContact O-N 3.39Å; Y74-K77 VanDerWaalsContact O-N 3.16Å; Y74-Y84 AromaticContact CD2-CE2 3.57Å; Y74-Y84 HydrophobicContact CD2-CE2 3.57Å; Y74-Y84 HydrophobicContact CE2-CE2 4.2Å; Y74-Y84 HydrophobicContact CG-CE2 4.29Å; Y74-M106 HydrophobicContact CD1-CE 3.79Å; Y74-M106 HydrophobicContact CE1-CE 4.36Å; Y74-H108 PolarHBondContact OH-ND1 3.23Å; Y74-L109 HydrophobicContact CD1-CB 4.35Å; Y74-L109 HydrophobicContact CD1-CD2 4.18Å; Y74-L109 HydrophobicContact CD2-CD1 3.89Å; Y74-L109 HydrophobicContact CD2-CD2 4.41Å; Y74-L109 HydrophobicContact CE1-CB 3.8Å; Y74-L109 HydrophobicContact CE1-CD2 4.45Å; Y74-L109 HydrophobicContact CE2-CB 4.27Å; Y74-L109 HydrophobicContact CE2-CD1 3.71Å; Y74-L109 HydrophobicContact CE2-CG 4.42Å; Y74-L109 HydrophobicContact CG-CD1 4.47Å; Y74-L109 HydrophobicContact CG-CD2 4.18Å; Y74-E112 PolarHBondContact OH-OE1 3.25Å
75	A	88.2	Confident	86.7	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-31	178.2	0	0	0	0	0	112	V35 E39 M40 L71 L72	V35-A75 HydrophobicContact CG1-CB 3.9Å; V35-A75 WeakPolarHBondContact CG1-O 3.25Å; E39-A75 HydrophobicContact CB-CB 3.75Å; E39-A75 HydrophobicContact CG-CB 4.24Å; M40-A75 HydrophobicContact CE-CB 4.15Å; L71-A75 WeakPolarHBondContact O-CB 3.28Å; L71-A75 PolarHBondContact O-N 2.8Å; L72-A75 PolarHBondContact O-N 3.44Å
76	R	87.5	Confident	86	Confident	70 Å²	70	64 Å²	64	26%	0.264	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	8.5	177.9	-73.5	-179.7	160.2	173.1	-5.5	114.9	R30 V35 L72 L73 Y74 H78 I79 D80	R30-R76 PolarHBondContact O-NH1 3.07Å; R30-R76 PolarHBondContact O-NH2 2.9Å; V35-R76 HydrophobicContact CG1-CG 4.37Å; L72-R76 WeakPolarHBondContact O-CB 3.38Å; L72-R76 WeakPolarHBondContact O-CG 3.42Å; L72-R76 PolarHBondContact O-N 3.47Å; L73-R76 CarbonylContact O-C 3.53Å; L73-R76 PolarHBondContact O-N 3.31Å; Y74-R76 PolarHBondContact O-N 3.37Å; R76-H78 PolarHBondContact O-N 2.93Å; R76-I79 PolarHBondContact O-N 3.21Å; R76-D80 PolarHBondContact O-N 3.05Å
77	K	83.5	Confident	85.7	Confident	40 Å²	40	57.7 Å²	57.7	17%	0.174	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-29.3	-178.5	69.1	-169.1	175.8	-158.1	0	115	E39 L73 Y74 P81 Y84	E39-K77 IonicContact OE1-NZ 2.69Å; E39-K77 IonicContact OE2-NZ 3.77Å; L73-K77 PolarHBondContact O-N 3.38Å; Y74-K77 VanDerWaalsContact O-CB 3.3Å; Y74-K77 WeakPolarHBondContact O-CB 3.42Å; Y74-K77 WeakPolarHBondContact O-CD 3.17Å; Y74-K77 WeakPolarHBondContact O-CG 3.47Å; Y74-K77 PolarHBondContact O-N 3.39Å; Y74-K77 VanDerWaalsContact O-N 3.16Å; K77-P81 WeakPolarHBondContact O-CA 3.44Å; K77-Y84 HydrophobicContact CB-CD1 4.14Å; K77-Y84 HydrophobicContact CB-CD2 4.25Å; K77-Y84 HydrophobicContact CB-CG 3.93Å
78	H	82.8	Confident	85.5	Confident	151 Å²	151	62 Å²	62	70%	0.699	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-22.1	178.4	-66.5	-63	0	0	0	113.8	R76	R76-H78 PolarHBondContact O-N 2.93Å
79	I	82.9	Confident	85.4	Confident	87 Å²	87	63.5 Å²	63.5	45%	0.446	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-44.4	-177.8	-61.7	173.6	0	0	0	110.1	V35 R76	V35-I79 HydrophobicContact CG2-CD1 3.43Å; V35-I79 VanDerWaalsContact CG2-CD1 3.43Å; R76-I79 PolarHBondContact O-N 3.21Å
80	D	81.5	Confident	85.4	Confident	72 Å²	72	61.6 Å²	61.6	39%	0.385	31%	0.306	S	S	.	.			trans	-128.4	79.5	178.4	-168.4	-10.8	0	0	0	110.7	R76 D82 A83 Y84	R76-D80 PolarHBondContact O-N 3.05Å; D80-D82 PolarHBondContact O-N 3.45Å; D80-D82 PolarHBondContact OD1-N 2.95Å; D80-A83 HydrophobicContact CB-CB 4.33Å; D80-A83 VanDerWaalsContact CG-CB 3.43Å; D80-A83 PolarHBondContact OD1-N 2.94Å; D80-A83 VanDerWaalsContact OD2-CB 3.27Å; D80-A83 WeakPolarHBondContact OD2-CB 3.48Å; D80-Y84 PolarHBondContact O-N 3.42Å
81	P	81	Confident	85.1	Confident	69 Å²	69	63.4 Å²	63.4	45%	0.448	32%	0.32	S	S	.	.	H	α-helix	trans	-69.7	-19.6	-179.7	28.1	-35.1	0	0	0	113.2	K77	K77-P81 WeakPolarHBondContact O-CA 3.44Å
82	D	83.3	Confident	84.9	Confident	105 Å²	105	67 Å²	67	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-78.6	-43.3	-179.9	-75.7	-34.1	0	0	0	111.1	D80 Y84 K85	D80-D82 PolarHBondContact O-N 3.45Å; D80-D82 PolarHBondContact OD1-N 2.95Å; D82-Y84 VanDerWaalsContact C-N 3.29Å; D82-Y84 PolarHBondContact O-N 3.23Å; D82-K85 WeakPolarHBondContact O-CB 3.43Å; D82-K85 PolarHBondContact O-N 3.42Å; D82-K85 IonicContact OD1-NZ 2.75Å; D82-K85 PolarHBondContact OD1-NZ 3.19Å
83	A	79.1	Confident	84.9	Confident	22 Å²	22	67.6 Å²	67.6	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-64.9	-33.2	174.5	0	0	0	0	0	112.5	L73 D80 K85 E86	L73-A83 HydrophobicContact CD2-CB 3.77Å; D80-A83 HydrophobicContact CB-CB 4.33Å; D80-A83 VanDerWaalsContact CG-CB 3.43Å; D80-A83 PolarHBondContact OD1-N 2.94Å; D80-A83 VanDerWaalsContact OD2-CB 3.27Å; D80-A83 WeakPolarHBondContact OD2-CB 3.48Å; A83-K85 PolarHBondContact O-N 2.97Å; A83-E86 PolarHBondContact O-N 2.88Å
84	Y	80.9	Confident	85	Confident	68 Å²	68	65.5 Å²	65.5	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-25.4	175.1	175.5	-111.1	0	0	0	113.5	Y74 K77 D80 D82 E86 C87	Y74-Y84 AromaticContact CD2-CE2 3.57Å; Y74-Y84 HydrophobicContact CD2-CE2 3.57Å; Y74-Y84 HydrophobicContact CE2-CE2 4.2Å; Y74-Y84 HydrophobicContact CG-CE2 4.29Å; K77-Y84 HydrophobicContact CB-CD1 4.14Å; K77-Y84 HydrophobicContact CB-CD2 4.25Å; K77-Y84 HydrophobicContact CB-CG 3.93Å; D80-Y84 PolarHBondContact O-N 3.42Å; D82-Y84 VanDerWaalsContact C-N 3.29Å; D82-Y84 PolarHBondContact O-N 3.23Å; Y84-E86 PolarHBondContact O-N 3.3Å; Y84-E86 VanDerWaalsContact O-N 3.13Å; Y84-C87 HydrophobicContact CD2-CB 3.83Å; Y84-C87 HydrophobicContact CE2-CB 3.93Å; Y84-C87 VanDerWaalsContact O-CB 3.23Å; Y84-C87 WeakPolarHBondContact O-CB 3.47Å; Y84-C87 PolarHBondContact O-N 3.34Å
85	K	79	Confident	85.1	Confident	147 Å²	147	66 Å²	66	64%	0.639	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.8	177.6	-69.6	168.4	-175	162	0	112.9	D82 A83 C87	D82-K85 WeakPolarHBondContact O-CB 3.43Å; D82-K85 PolarHBondContact O-N 3.42Å; D82-K85 IonicContact OD1-NZ 2.75Å; D82-K85 PolarHBondContact OD1-NZ 3.19Å; A83-K85 PolarHBondContact O-N 2.97Å; K85-C87 VanDerWaalsContact C-N 3.3Å
86	E	75.9	Confident	85.2	Confident	158 Å²	158	67.7 Å²	67.7	74%	0.738	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.3	174.9	-57.2	-169.5	165.7	0	0	112.4	A83 Y84 I88	A83-E86 PolarHBondContact O-N 2.88Å; Y84-E86 PolarHBondContact O-N 3.3Å; Y84-E86 VanDerWaalsContact O-N 3.13Å; E86-I88 PolarHBondContact O-N 2.99Å
87	C	82.8	Confident	85.5	Confident	13 Å²	13	64.3 Å²	64.3	9%	0.088	34%	0.341	C	S	.	.			trans	-77.8	83.4	-178.9	-65.1	0	0	0	0	112	W70 L73 Y84 K85	W70-C87 HydrophobicContact CD2-CB 4.24Å; W70-C87 HydrophobicContact CG-CB 4.47Å; W70-C87 HydrophobicContact CZ2-CB 3.9Å; L73-C87 WeakPolarHBondContact CB-SG 3.27Å; Y84-C87 HydrophobicContact CD2-CB 3.83Å; Y84-C87 HydrophobicContact CE2-CB 3.93Å; Y84-C87 VanDerWaalsContact O-CB 3.23Å; Y84-C87 WeakPolarHBondContact O-CB 3.47Å; Y84-C87 PolarHBondContact O-N 3.34Å; K85-C87 VanDerWaalsContact C-N 3.3Å
88	I	87	Confident	86	Confident	112 Å²	112	62.4 Å²	62.4	57%	0.574	33%	0.333	S	S	*	.			trans	-96	131.6	178	-56.6	170.1	0	0	0	110.8	E86 T90 N93	E86-I88 PolarHBondContact O-N 2.99Å; I88-T90 HydrophobicContact CG2-CG2 4.13Å; I88-N93 PolarHBondContact O-ND2 2.79Å
89	L	90	Very high	86.4	Confident	34 Å²	34	57.2 Å²	57.2	18%	0.178	31%	0.312	C	S	.	.			trans	-74.2	124.9	168.2	-71.1	172.4	0	0	0	110	W70 L97 E112 Y116	W70-L89 HydrophobicContact CH2-CD2 3.93Å; W70-L89 HydrophobicContact CH2-CG 4.41Å; W70-L89 HydrophobicContact CZ2-CD2 3.85Å; W70-L89 HydrophobicContact CZ2-CG 4.17Å; L89-L97 HydrophobicContact CD2-CD1 3.62Å; L89-E112 HydrophobicContact CD1-CB 4.36Å; L89-Y116 HydrophobicContact CB-CD2 4.11Å; L89-Y116 HydrophobicContact CB-CE2 4.32Å; L89-Y116 HydrophobicContact CB-CG 4.42Å
90	T	90.6	Very high	86.8	Confident	55 Å²	55	54.4 Å²	54.4	34%	0.337	30%	0.3	S	S	.	.			trans	-132	163.7	-178.5	69.5	0	0	0	0	110	I88 S92 N93 V94	I88-T90 HydrophobicContact CG2-CG2 4.13Å; T90-S92 PolarHBondContact O-N 3.02Å; T90-S92 VanDerWaalsContact O-N 3.16Å; T90-S92 PolarHBondContact OG1-N 3.17Å; T90-N93 WeakPolarHBondContact CA-OD1 3.46Å; T90-N93 PolarHBondContact N-OD1 3.22Å; T90-N93 PolarHBondContact O-N 2.83Å; T90-N93 PolarHBondContact O-OD1 3.11Å; T90-N93 VanDerWaalsContact OG1-CG 3.25Å; T90-N93 PolarHBondContact OG1-N 3.32Å; T90-N93 PolarHBondContact OG1-OD1 3.47Å; T90-V94 VanDerWaalsContact O-CB 3.29Å; T90-V94 WeakPolarHBondContact O-CB 3.22Å; T90-V94 WeakPolarHBondContact O-CG1 3.37Å; T90-V94 PolarHBondContact O-N 3.23Å
91	T	88.1	Confident	87.4	Confident	60 Å²	60	51 Å²	51	37%	0.368	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.2	177	51	0	0	0	0	113.8	Y116 H120 A123 I124	T91-Y116 HydrophobicContact CG2-CE1 4.19Å; T91-H120 HydrophobicContact CG2-CB 4.18Å; T91-A123 HydrophobicContact CG2-CB 4.27Å; T91-I124 HydrophobicContact CG2-CG1 4.29Å
92	S	88.1	Confident	87.9	Confident	77 Å²	77	50.1 Å²	50.1	54%	0.538	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-40	179.9	-166.1	0	0	0	0	112.6	T90	T90-S92 PolarHBondContact O-N 3.02Å; T90-S92 VanDerWaalsContact O-N 3.16Å; T90-S92 PolarHBondContact OG1-N 3.17Å
93	N	91	Very high	88.3	Confident	28 Å²	28	50.8 Å²	50.8	15%	0.15	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-23.3	-177.3	65.3	-4	0	0	0	113.9	I67 I88 T90 L95 A96 L97	I67-N93 HydrophobicContact CD1-CB 4.24Å; I88-N93 PolarHBondContact O-ND2 2.79Å; T90-N93 WeakPolarHBondContact CA-OD1 3.46Å; T90-N93 PolarHBondContact N-OD1 3.22Å; T90-N93 PolarHBondContact O-N 2.83Å; T90-N93 PolarHBondContact O-OD1 3.11Å; T90-N93 VanDerWaalsContact OG1-CG 3.25Å; T90-N93 PolarHBondContact OG1-N 3.32Å; T90-N93 PolarHBondContact OG1-OD1 3.47Å; N93-L95 VanDerWaalsContact C-N 3.28Å; N93-L95 PolarHBondContact O-N 3.34Å; N93-L95 VanDerWaalsContact O-N 3.16Å; N93-A96 PolarHBondContact O-N 2.78Å; N93-A96 VanDerWaalsContact O-N 3.14Å; N93-L97 HydrophobicContact CB-CD1 4.04Å; N93-L97 HydrophobicContact CB-CG 4.44Å; N93-L97 WeakPolarHBondContact O-CG 3.49Å; N93-L97 PolarHBondContact O-N 2.89Å
94	V	92.7	Very high	88.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.4	-38.5	-172.6	64.3	0	0	0	0	113.6	T90 L97 L98 C113 Y116 I124	T90-V94 VanDerWaalsContact O-CB 3.29Å; T90-V94 WeakPolarHBondContact O-CB 3.22Å; T90-V94 WeakPolarHBondContact O-CG1 3.37Å; T90-V94 PolarHBondContact O-N 3.23Å; V94-L97 PolarHBondContact O-N 3.31Å; V94-L98 WeakPolarHBondContact O-CB 2.9Å; V94-L98 PolarHBondContact O-N 3.14Å; V94-C113 HydrophobicContact CG2-CB 4.23Å; V94-Y116 HydrophobicContact CB-CD1 4.08Å; V94-Y116 HydrophobicContact CB-CE1 4.44Å; V94-Y116 HydrophobicContact CG1-CD1 4.28Å; V94-Y116 HydrophobicContact CG1-CE1 4.42Å; V94-Y116 HydrophobicContact CG2-CD1 3.88Å; V94-I124 HydrophobicContact CG1-CD1 3.66Å; V94-I124 HydrophobicContact CG1-CG1 4.08Å
95	L	91.3	Very high	89.4	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-46.7	-179.5	-178.8	65.5	0	0	0	111.6	N93 L98 V99 F129 L131 L134	N93-L95 VanDerWaalsContact C-N 3.28Å; N93-L95 PolarHBondContact O-N 3.34Å; N93-L95 VanDerWaalsContact O-N 3.16Å; L95-L98 PolarHBondContact O-N 3.39Å; L95-V99 WeakPolarHBondContact O-CG2 3.08Å; L95-V99 PolarHBondContact O-N 2.87Å; L95-F129 HydrophobicContact CD2-CB 3.84Å; L95-L131 HydrophobicContact CD1-CD2 3.71Å; L95-L131 HydrophobicContact CD2-CD2 3.77Å; L95-L131 HydrophobicContact CG-CD2 4.38Å; L95-L134 HydrophobicContact CD1-CD1 4.15Å; L95-L134 HydrophobicContact CD1-CD2 3.82Å; L95-L134 HydrophobicContact CD1-CG 4Å
96	A	90.8	Very high	90	Very high	39 Å²	39	45.2 Å²	45.2	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-66.5	-40.2	178.7	0	0	0	0	0	111.4	I67 N93 S100	I67-A96 HydrophobicContact CD1-CB 3.68Å; I67-A96 HydrophobicContact CG1-CB 3.86Å; I67-A96 HydrophobicContact CG2-CB 4.39Å; N93-A96 PolarHBondContact O-N 2.78Å; N93-A96 VanDerWaalsContact O-N 3.14Å; A96-S100 VanDerWaalsContact O-CB 3.25Å; A96-S100 WeakPolarHBondContact O-CB 2.91Å; A96-S100 PolarHBondContact O-N 3.33Å; A96-S100 PolarHBondContact O-OG 3.29Å
97	L	93.2	Very high	90.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-39.9	174.2	-71.4	173.2	0	0	0	112.1	I67 W70 L71 L89 N93 V94 S101	I67-L97 HydrophobicContact CD1-CD2 4.49Å; I67-L97 HydrophobicContact CD1-CG 4.37Å; I67-L97 HydrophobicContact CG2-CD2 4.07Å; W70-L97 HydrophobicContact CB-CD2 4.31Å; W70-L97 HydrophobicContact CD2-CD1 3.78Å; W70-L97 HydrophobicContact CD2-CD2 3.59Å; W70-L97 HydrophobicContact CD2-CG 4.35Å; W70-L97 HydrophobicContact CE3-CD1 3.94Å; W70-L97 HydrophobicContact CE3-CD2 3.23Å; W70-L97 HydrophobicContact CE3-CG 4.22Å; W70-L97 HydrophobicContact CG-CD1 4.42Å; W70-L97 HydrophobicContact CG-CD2 4.07Å; W70-L97 HydrophobicContact CH2-CD1 4Å; W70-L97 HydrophobicContact CZ2-CD1 3.82Å; W70-L97 HydrophobicContact CZ3-CD1 4.05Å; W70-L97 HydrophobicContact CZ3-CD2 3.8Å; L71-L97 HydrophobicContact CD2-CD2 3.89Å; L71-L97 HydrophobicContact CG-CD2 4.13Å; L89-L97 HydrophobicContact CD2-CD1 3.62Å; N93-L97 HydrophobicContact CB-CD1 4.04Å; N93-L97 HydrophobicContact CB-CG 4.44Å; N93-L97 WeakPolarHBondContact O-CG 3.49Å; N93-L97 PolarHBondContact O-N 2.89Å; V94-L97 PolarHBondContact O-N 3.31Å; L97-S101 WeakPolarHBondContact O-CB 3.28Å; L97-S101 PolarHBondContact O-N 3.27Å; L97-S101 PolarHBondContact O-OG 3.04Å
98	L	93.5	Very high	91.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-47.8	178.5	179.4	60.2	0	0	0	111.6	V94 L95 S101 N102 T110 C113 L114 F117 L134 L138 I142	V94-L98 WeakPolarHBondContact O-CB 2.9Å; V94-L98 PolarHBondContact O-N 3.14Å; L95-L98 PolarHBondContact O-N 3.39Å; L98-S101 PolarHBondContact O-OG 2.78Å; L98-S101 VanDerWaalsContact O-OG 3.08Å; L98-N102 VanDerWaalsContact O-CB 3.24Å; L98-N102 WeakPolarHBondContact O-CB 3.11Å; L98-N102 PolarHBondContact O-N 2.7Å; L98-N102 VanDerWaalsContact O-N 3.07Å; L98-T110 HydrophobicContact CD1-CG2 3.84Å; L98-C113 HydrophobicContact CB-CB 4.05Å; L98-C113 HydrophobicContact CD1-CB 3.83Å; L98-L114 HydrophobicContact CD1-CD2 3.95Å; L98-L114 HydrophobicContact CD1-CG 3.71Å; L98-L114 HydrophobicContact CD2-CD2 4.09Å; L98-F117 HydrophobicContact CD2-CD2 4.37Å; L98-L134 HydrophobicContact CD2-CD2 3.95Å; L98-L134 HydrophobicContact CG-CD2 4.47Å; L98-L138 HydrophobicContact CD1-CD2 4.04Å; L98-L138 HydrophobicContact CG-CD1 4.31Å; L98-L138 HydrophobicContact CG-CD2 4.34Å; L98-I142 HydrophobicContact CD2-CD1 4.39Å
99	V	91.6	Very high	91.6	Very high	42 Å²	42	44.6 Å²	44.6	26%	0.255	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-46	178.2	174.3	0	0	0	0	110.7	L95 N102 F103 C133 L134	L95-V99 WeakPolarHBondContact O-CG2 3.08Å; L95-V99 PolarHBondContact O-N 2.87Å; V99-N102 PolarHBondContact O-N 3.06Å; V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 3.31Å; V99-C133 HydrophobicContact CG2-CB 4.23Å; V99-L134 HydrophobicContact CG2-CD2 4Å
100	S	91.7	Very high	91.8	Very high	27 Å²	27	43.1 Å²	43.1	19%	0.189	23%	0.23	C	C	.	.	H	α-helix	trans	-69.1	-43.6	-177.6	-53.1	0	0	0	0	112.3	A96 N102 F103 L104	A96-S100 VanDerWaalsContact O-CB 3.25Å; A96-S100 WeakPolarHBondContact O-CB 2.91Å; A96-S100 PolarHBondContact O-N 3.33Å; A96-S100 PolarHBondContact O-OG 3.29Å; S100-N102 VanDerWaalsContact C-N 3.33Å; S100-N102 PolarHBondContact O-N 3.01Å; S100-F103 PolarHBondContact O-N 2.82Å; S100-L104 WeakPolarHBondContact O-CB 3.38Å; S100-L104 WeakPolarHBondContact O-CG 3.37Å; S100-L104 PolarHBondContact O-N 2.87Å
101	S	92.9	Very high	91.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-40.2	176.6	62.1	0	0	0	0	111.6	L97 L98 L104 K105 M106 T110	L97-S101 WeakPolarHBondContact O-CB 3.28Å; L97-S101 PolarHBondContact O-N 3.27Å; L97-S101 PolarHBondContact O-OG 3.04Å; L98-S101 PolarHBondContact O-OG 2.78Å; L98-S101 VanDerWaalsContact O-OG 3.08Å; S101-L104 PolarHBondContact O-N 2.97Å; S101-K105 PolarHBondContact O-N 3.34Å; S101-K105 VanDerWaalsContact O-N 3.1Å; S101-M106 PolarHBondContact O-N 3.48Å; S101-T110 VanDerWaalsContact C-OG1 3.28Å; S101-T110 WeakPolarHBondContact CB-OG1 3.46Å; S101-T110 PolarHBondContact O-OG1 3.31Å; S101-T110 PolarHBondContact OG-OG1 3.28Å
102	N	92.9	Very high	92.2	Very high	52 Å²	52	42.4 Å²	42.4	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-41.8	176.5	-175.2	71.7	0	0	0	112	L98 V99 S100 K105 T110 L138	L98-N102 VanDerWaalsContact O-CB 3.24Å; L98-N102 WeakPolarHBondContact O-CB 3.11Å; L98-N102 PolarHBondContact O-N 2.7Å; L98-N102 VanDerWaalsContact O-N 3.07Å; V99-N102 PolarHBondContact O-N 3.06Å; S100-N102 VanDerWaalsContact C-N 3.33Å; S100-N102 PolarHBondContact O-N 3.01Å; N102-K105 PolarHBondContact O-N 3.19Å; N102-T110 HydrophobicContact CB-CG2 4.12Å; N102-T110 PolarHBondContact N-OG1 3.49Å; N102-L138 HydrophobicContact CB-CD1 3.92Å; N102-L138 HydrophobicContact CB-CD2 3.86Å; N102-L138 HydrophobicContact CB-CG 4.19Å
103	F	90.3	Very high	92.5	Very high	118 Å²	118	38.8 Å²	38.8	52%	0.518	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-45.2	176.2	-178	-96.8	0	0	0	112	Y42 V99 S100 K105	Y42-F103 HydrophobicContact CD1-CE1 4.32Å; Y42-F103 HydrophobicContact CD2-CE1 4.47Å; Y42-F103 WeakPolarHBondContact CD2-O 3Å; Y42-F103 AromaticContact CE1-CE1 3.91Å; Y42-F103 HydrophobicContact CE1-CE1 3.91Å; Y42-F103 HydrophobicContact CE1-CZ 4.21Å; Y42-F103 HydrophobicContact CE2-CE1 4.07Å; Y42-F103 HydrophobicContact CE2-CE2 4.36Å; Y42-F103 AromaticContact CE2-CZ 3.86Å; Y42-F103 HydrophobicContact CE2-CZ 3.86Å; Y42-F103 AromaticContact CZ-CE1 3.78Å; Y42-F103 AromaticContact CZ-CZ 3.62Å; V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 3.31Å; S100-F103 PolarHBondContact O-N 2.82Å; F103-K105 PolarHBondContact O-N 3.43Å
104	L	91.6	Very high	92.6	Very high	9 Å²	9	38 Å²	38	5%	0.047	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	1.2	178.1	-65.5	177.4	0	0	0	113.8	M40 P41 Y42 F43 L71 S100 S101 M106	M40-L104 CarbonylContact C-O 3.47Å; M40-L104 HydrophobicContact CE-CD1 4.25Å; M40-L104 HydrophobicContact CG-CD1 4.48Å; M40-L104 HydrophobicContact SD-CD1 4.07Å; P41-L104 WeakPolarHBondContact CD-O 3.19Å; Y42-L104 WeakPolarHBondContact CB-O 3.31Å; Y42-L104 HydrophobicContact CD1-CD2 4.25Å; Y42-L104 HydrophobicContact CG-CD2 4.5Å; Y42-L104 PolarHBondContact N-O 2.95Å; F43-L104 HydrophobicContact CE2-CD2 3.69Å; F43-L104 HydrophobicContact CZ-CD2 3.68Å; L71-L104 HydrophobicContact CD1-CD1 3.99Å; S100-L104 WeakPolarHBondContact O-CB 3.38Å; S100-L104 WeakPolarHBondContact O-CG 3.37Å; S100-L104 PolarHBondContact O-N 2.87Å; S101-L104 PolarHBondContact O-N 2.97Å; L104-M106 VanDerWaalsContact C-N 3.29Å; L104-M106 HydrophobicContact CB-CG 3.8Å; L104-M106 HydrophobicContact CB-SD 4.21Å; L104-M106 HydrophobicContact CD1-SD 4.23Å; L104-M106 PolarHBondContact O-N 3.2Å
105	K	91.8	Very high	92.6	Very high	105 Å²	105	45 Å²	45	46%	0.457	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	32.5	-177.9	-54.7	177.2	-178.4	172.8	0	113.6	P41 D45 S101 N102 F103 E107	P41-K105 HydrophobicContact CB-CB 4.28Å; P41-K105 WeakPolarHBondContact CD-O 3.31Å; P41-K105 HydrophobicContact CG-CB 4.49Å; D45-K105 IonicContact OD2-NZ 3.25Å; D45-K105 PolarHBondContact OD2-NZ 3.29Å; S101-K105 PolarHBondContact O-N 3.34Å; S101-K105 VanDerWaalsContact O-N 3.1Å; N102-K105 PolarHBondContact O-N 3.19Å; F103-K105 PolarHBondContact O-N 3.43Å; K105-E107 VanDerWaalsContact C-N 3.34Å; K105-E107 PolarHBondContact O-N 3.32Å
106	M	92.9	Very high	92.7	Very high	7 Å²	7	46.9 Å²	46.9	3%	0.034	23%	0.234	C	C	.	.			trans	-81.8	72.4	177.5	-49.1	-176.6	67.7	0	0	111	E39 M40 L71 Y74 S101 L104 H108 L109 T110	E39-M106 VanDerWaalsContact O-CG 3.29Å; E39-M106 WeakPolarHBondContact O-CG 3.37Å; M40-M106 HydrophobicContact CE-CE 4.05Å; M40-M106 HydrophobicContact CE-SD 3.96Å; M40-M106 HydrophobicContact CG-CE 4.08Å; M40-M106 HydrophobicContact CG-CG 4.18Å; M40-M106 HydrophobicContact CG-SD 3.9Å; L71-M106 HydrophobicContact CD2-SD 3.87Å; Y74-M106 HydrophobicContact CD1-CE 3.79Å; Y74-M106 HydrophobicContact CE1-CE 4.36Å; S101-M106 PolarHBondContact O-N 3.48Å; L104-M106 VanDerWaalsContact C-N 3.29Å; L104-M106 HydrophobicContact CB-CG 3.8Å; L104-M106 HydrophobicContact CB-SD 4.21Å; L104-M106 HydrophobicContact CD1-SD 4.23Å; L104-M106 PolarHBondContact O-N 3.2Å; M106-H108 PolarHBondContact O-N 3.13Å; M106-L109 HydrophobicContact CB-CB 4.19Å; M106-L109 HydrophobicContact CE-CD2 4.03Å; M106-L109 PolarHBondContact O-N 3.36Å; M106-L109 HydrophobicContact SD-CD2 4.11Å; M106-T110 PolarHBondContact O-N 2.98Å; M106-T110 PolarHBondContact O-OG1 3.01Å
107	E	92.5	Very high	92.8	Very high	146 Å²	146	45 Å²	45	68%	0.682	22%	0.219	S	C	*	.	H	α-helix	trans	-56.7	-40.9	-166.7	-173.6	177	-172.5	0	0	114.8	K105 T110 S111	K105-E107 VanDerWaalsContact C-N 3.34Å; K105-E107 PolarHBondContact O-N 3.32Å; E107-T110 PolarHBondContact O-N 2.98Å; E107-S111 WeakPolarHBondContact O-CB 3.43Å; E107-S111 PolarHBondContact O-N 3.28Å; E107-S111 PolarHBondContact O-OG 3.29Å
108	H	93	Very high	92.6	Very high	123 Å²	123	46 Å²	46	57%	0.569	23%	0.226	S	C	*	.	H	α-helix	trans	-63.4	-49.9	179.3	-170.7	-82.3	0	0	0	111	Y74 M106 T110 S111 E112	Y74-H108 PolarHBondContact OH-ND1 3.23Å; M106-H108 PolarHBondContact O-N 3.13Å; H108-T110 PolarHBondContact O-N 3.06Å; H108-S111 WeakPolarHBondContact O-CB 3.31Å; H108-S111 PolarHBondContact O-N 3.39Å; H108-S111 VanDerWaalsContact O-N 3.14Å; H108-E112 IonicContact CE1-OE1 2.73Å; H108-E112 PolarHBondContact CE1-OE1 2.88Å; H108-E112 IonicContact ND1-OE1 3.86Å; H108-E112 PolarHBondContact ND1-OE1 3.48Å; H108-E112 PolarHBondContact O-N 3.16Å
109	L	93	Very high	92.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-41.6	176.5	176.2	58.8	0	0	0	112.1	W70 L71 Y74 M106 S111 E112 C113	W70-L109 HydrophobicContact CH2-CD1 3.6Å; W70-L109 HydrophobicContact CZ3-CD1 3.58Å; W70-L109 HydrophobicContact CZ3-CD2 3.73Å; W70-L109 HydrophobicContact CZ3-CG 4.31Å; L71-L109 HydrophobicContact CD2-CD2 3.45Å; L71-L109 VanDerWaalsContact CD2-CD2 3.45Å; Y74-L109 HydrophobicContact CD1-CB 4.35Å; Y74-L109 HydrophobicContact CD1-CD2 4.18Å; Y74-L109 HydrophobicContact CD2-CD1 3.89Å; Y74-L109 HydrophobicContact CD2-CD2 4.41Å; Y74-L109 HydrophobicContact CE1-CB 3.8Å; Y74-L109 HydrophobicContact CE1-CD2 4.45Å; Y74-L109 HydrophobicContact CE2-CB 4.27Å; Y74-L109 HydrophobicContact CE2-CD1 3.71Å; Y74-L109 HydrophobicContact CE2-CG 4.42Å; Y74-L109 HydrophobicContact CG-CD1 4.47Å; Y74-L109 HydrophobicContact CG-CD2 4.18Å; M106-L109 HydrophobicContact CB-CB 4.19Å; M106-L109 HydrophobicContact CE-CD2 4.03Å; M106-L109 PolarHBondContact O-N 3.36Å; M106-L109 HydrophobicContact SD-CD2 4.11Å; L109-S111 PolarHBondContact O-N 2.88Å; L109-E112 PolarHBondContact O-N 3.43Å; L109-C113 WeakPolarHBondContact O-CB 3.45Å; L109-C113 PolarHBondContact O-N 3.24Å; L109-C113 PolarHBondContact O-SG 3.01Å
110	T	94.3	Very high	92.5	Very high	2 Å²	2	55 Å²	55	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-38.7	175.4	-57.4	0	0	0	0	110.8	L98 S101 N102 M106 E107 H108 L114 L138	L98-T110 HydrophobicContact CD1-CG2 3.84Å; S101-T110 VanDerWaalsContact C-OG1 3.28Å; S101-T110 WeakPolarHBondContact CB-OG1 3.46Å; S101-T110 PolarHBondContact O-OG1 3.31Å; S101-T110 PolarHBondContact OG-OG1 3.28Å; N102-T110 HydrophobicContact CB-CG2 4.12Å; N102-T110 PolarHBondContact N-OG1 3.49Å; M106-T110 PolarHBondContact O-N 2.98Å; M106-T110 PolarHBondContact O-OG1 3.01Å; E107-T110 PolarHBondContact O-N 2.98Å; H108-T110 PolarHBondContact O-N 3.06Å; T110-L114 HydrophobicContact CG2-CD1 4.09Å; T110-L114 WeakPolarHBondContact O-CB 3.2Å; T110-L114 WeakPolarHBondContact O-CD1 3.42Å; T110-L114 WeakPolarHBondContact O-CG 3.48Å; T110-L114 PolarHBondContact O-N 3.43Å; T110-L138 HydrophobicContact CG2-CD2 4.05Å
111	S	93.9	Very high	92.3	Very high	49 Å²	49	53.8 Å²	53.8	34%	0.343	25%	0.254	S	S	.	.	H	α-helix	trans	-68.7	-43.5	177.5	-54.8	0	0	0	0	112.3	E107 H108 L109 C113 L114 E115 R141	E107-S111 WeakPolarHBondContact O-CB 3.43Å; E107-S111 PolarHBondContact O-N 3.28Å; E107-S111 PolarHBondContact O-OG 3.29Å; H108-S111 WeakPolarHBondContact O-CB 3.31Å; H108-S111 PolarHBondContact O-N 3.39Å; H108-S111 VanDerWaalsContact O-N 3.14Å; L109-S111 PolarHBondContact O-N 2.88Å; S111-C113 PolarHBondContact O-N 3.46Å; S111-L114 PolarHBondContact O-N 2.9Å; S111-E115 PolarHBondContact O-N 3.37Å; S111-R141 PolarHBondContact OG-NH2 3.38Å
112	E	92.7	Very high	92.1	Very high	52 Å²	52	55.6 Å²	55.6	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-44.8	173	-70.6	178.9	-136.6	0	0	112	Y74 L89 H108 L109 L114 E115 Y116	Y74-E112 PolarHBondContact OH-OE1 3.25Å; L89-E112 HydrophobicContact CD1-CB 4.36Å; H108-E112 IonicContact CE1-OE1 2.73Å; H108-E112 PolarHBondContact CE1-OE1 2.88Å; H108-E112 IonicContact ND1-OE1 3.86Å; H108-E112 PolarHBondContact ND1-OE1 3.48Å; H108-E112 PolarHBondContact O-N 3.16Å; L109-E112 PolarHBondContact O-N 3.43Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 2.82Å; E112-E115 PolarHBondContact O-N 2.83Å; E112-Y116 WeakPolarHBondContact O-CB 3.18Å; E112-Y116 PolarHBondContact O-N 2.65Å
113	C	94.3	Very high	91.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-37.8	176.4	-76.7	0	0	0	0	112.1	V94 L98 L109 S111 F117	V94-C113 HydrophobicContact CG2-CB 4.23Å; L98-C113 HydrophobicContact CB-CB 4.05Å; L98-C113 HydrophobicContact CD1-CB 3.83Å; L109-C113 WeakPolarHBondContact O-CB 3.45Å; L109-C113 PolarHBondContact O-N 3.24Å; L109-C113 PolarHBondContact O-SG 3.01Å; S111-C113 PolarHBondContact O-N 3.46Å; C113-F117 VanDerWaalsContact O-CB 3.24Å; C113-F117 WeakPolarHBondContact O-CB 3.15Å; C113-F117 PolarHBondContact O-N 2.98Å
114	L	93.3	Very high	91.7	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.068	26%	0.258	C	S	.	.	H	α-helix	trans	-67.2	-43.2	175.9	-78.5	166.4	0	0	0	112.3	L98 T110 S111 E112 Y116 F117 C118 R141 I142	L98-L114 HydrophobicContact CD1-CD2 3.95Å; L98-L114 HydrophobicContact CD1-CG 3.71Å; L98-L114 HydrophobicContact CD2-CD2 4.09Å; T110-L114 HydrophobicContact CG2-CD1 4.09Å; T110-L114 WeakPolarHBondContact O-CB 3.2Å; T110-L114 WeakPolarHBondContact O-CD1 3.42Å; T110-L114 WeakPolarHBondContact O-CG 3.48Å; T110-L114 PolarHBondContact O-N 3.43Å; S111-L114 PolarHBondContact O-N 2.9Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 2.82Å; L114-Y116 VanDerWaalsContact C-N 3.35Å; L114-F117 PolarHBondContact O-N 2.93Å; L114-C118 PolarHBondContact O-N 2.87Å; L114-C118 PolarHBondContact O-SG 2.9Å; L114-R141 HydrophobicContact CD1-CB 3.87Å; L114-R141 HydrophobicContact CD1-CG 4.49Å; L114-R141 VanDerWaalsContact CD1-NH2 3.33Å; L114-R141 HydrophobicContact CD2-CB 4.29Å; L114-I142 HydrophobicContact CD2-CD1 4.31Å; L114-I142 HydrophobicContact CD2-CG1 3.47Å; L114-I142 VanDerWaalsContact CD2-CG1 3.47Å
115	E	93.3	Very high	91.5	Very high	145 Å²	145	50.2 Å²	50.2	68%	0.678	26%	0.257	S	S	*	.	H	α-helix	trans	-60.8	-46.9	176	-173.6	-177.1	166.7	0	0	110.6	S111 E112 F117 C118 K119	S111-E115 PolarHBondContact O-N 3.37Å; E112-E115 PolarHBondContact O-N 2.83Å; E115-F117 VanDerWaalsContact C-N 3.33Å; E115-F117 PolarHBondContact O-N 2.77Å; E115-C118 PolarHBondContact O-N 3.23Å; E115-K119 WeakPolarHBondContact O-CB 3.22Å; E115-K119 PolarHBondContact O-N 3.24Å
116	Y	93.4	Very high	91.2	Very high	54 Å²	54	49 Å²	49	21%	0.212	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-42.9	175.1	-169.9	-81.6	0	0	0	111.6	L89 T91 V94 E112 L114 C118 K119 H120	L89-Y116 HydrophobicContact CB-CD2 4.11Å; L89-Y116 HydrophobicContact CB-CE2 4.32Å; L89-Y116 HydrophobicContact CB-CG 4.42Å; T91-Y116 HydrophobicContact CG2-CE1 4.19Å; V94-Y116 HydrophobicContact CB-CD1 4.08Å; V94-Y116 HydrophobicContact CB-CE1 4.44Å; V94-Y116 HydrophobicContact CG1-CD1 4.28Å; V94-Y116 HydrophobicContact CG1-CE1 4.42Å; V94-Y116 HydrophobicContact CG2-CD1 3.88Å; E112-Y116 WeakPolarHBondContact O-CB 3.18Å; E112-Y116 PolarHBondContact O-N 2.65Å; L114-Y116 VanDerWaalsContact C-N 3.35Å; Y116-C118 PolarHBondContact O-N 3.03Å; Y116-K119 PolarHBondContact O-N 3.12Å; Y116-H120 HydrophobicContact CD1-CB 4.5Å; Y116-H120 AromaticContact CD1-CD2 3.84Å; Y116-H120 AromaticContact CD2-CD2 3.87Å; Y116-H120 HydrophobicContact CE1-CB 4.17Å; Y116-H120 AromaticContact CE1-CD2 3.57Å; Y116-H120 AromaticContact CE2-CD2 3.59Å; Y116-H120 AromaticContact CE2-NE2 3.76Å; Y116-H120 AromaticContact CG-CD2 3.99Å; Y116-H120 AromaticContact CZ-CD2 3.43Å; Y116-H120 VanDerWaalsContact CZ-CD2 3.43Å; Y116-H120 AromaticContact CZ-NE2 3.86Å; Y116-H120 PolarHBondContact O-CD2 3.28Å; Y116-H120 PolarHBondContact O-N 3.26Å
117	F	92	Very high	90.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-47.9	176.7	-175.8	-78.1	0	0	0	111	L98 C113 L114 E115 K119 H120 A121 I124 I142 I161	L98-F117 HydrophobicContact CD2-CD2 4.37Å; C113-F117 VanDerWaalsContact O-CB 3.24Å; C113-F117 WeakPolarHBondContact O-CB 3.15Å; C113-F117 PolarHBondContact O-N 2.98Å; L114-F117 PolarHBondContact O-N 2.93Å; E115-F117 VanDerWaalsContact C-N 3.33Å; E115-F117 PolarHBondContact O-N 2.77Å; F117-K119 PolarHBondContact O-N 2.82Å; F117-H120 CarbonylContact O-C 3.54Å; F117-H120 PolarHBondContact O-N 3.17Å; F117-A121 HydrophobicContact CE1-CB 4.45Å; F117-A121 WeakPolarHBondContact O-CA 3.41Å; F117-A121 WeakPolarHBondContact O-CB 3.38Å; F117-A121 PolarHBondContact O-N 2.87Å; F117-I124 HydrophobicContact CB-CD1 4.2Å; F117-I124 HydrophobicContact CD2-CD1 3.73Å; F117-I124 HydrophobicContact CD2-CG2 3.95Å; F117-I124 HydrophobicContact CE2-CB 4.3Å; F117-I124 HydrophobicContact CE2-CD1 4.32Å; F117-I124 HydrophobicContact CE2-CG2 3.52Å; F117-I124 HydrophobicContact CG-CD1 4.03Å; F117-I124 HydrophobicContact CZ-CG2 4.3Å; F117-I142 HydrophobicContact CD1-CD1 4.14Å; F117-I142 HydrophobicContact CD1-CG1 4.12Å; F117-I142 HydrophobicContact CD1-CG2 4.04Å; F117-I142 HydrophobicContact CE1-CD1 3.93Å; F117-I142 HydrophobicContact CE1-CG1 4.24Å; F117-I142 HydrophobicContact CE1-CG2 3.69Å; F117-I142 HydrophobicContact CZ-CD1 4.15Å; F117-I161 HydrophobicContact CZ-CD1 4.29Å
118	C	90.4	Very high	90.2	Very high	22 Å²	22	48.5 Å²	48.5	15%	0.149	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-44.5	-179.3	-65.3	0	0	0	0	111.3	L114 E115 Y116 H120 A121 L146	L114-C118 PolarHBondContact O-N 2.87Å; L114-C118 PolarHBondContact O-SG 2.9Å; E115-C118 PolarHBondContact O-N 3.23Å; Y116-C118 PolarHBondContact O-N 3.03Å; C118-H120 VanDerWaalsContact C-N 3.31Å; C118-H120 PolarHBondContact O-N 3.48Å; C118-A121 PolarHBondContact O-N 3.3Å; C118-L146 HydrophobicContact CB-CD2 3.94Å
119	K	90.7	Very high	89.6	Confident	166 Å²	166	47 Å²	47	72%	0.722	27%	0.269	S	S	*	.	H	α-helix	trans	-63.2	-34.4	178.2	-172.1	177.8	-177.8	178.2	0	113.5	E115 Y116 F117	E115-K119 WeakPolarHBondContact O-CB 3.22Å; E115-K119 PolarHBondContact O-N 3.24Å; Y116-K119 PolarHBondContact O-N 3.12Å; F117-K119 PolarHBondContact O-N 2.82Å
120	H	90.7	Very high	89	Confident	63 Å²	63	50.2 Å²	50.2	29%	0.292	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	19	-177.1	-63.9	-74.3	0	0	0	113.7	T91 Y116 F117 C118 G122 A123 I124	T91-H120 HydrophobicContact CG2-CB 4.18Å; Y116-H120 HydrophobicContact CD1-CB 4.5Å; Y116-H120 AromaticContact CD1-CD2 3.84Å; Y116-H120 AromaticContact CD2-CD2 3.87Å; Y116-H120 HydrophobicContact CE1-CB 4.17Å; Y116-H120 AromaticContact CE1-CD2 3.57Å; Y116-H120 AromaticContact CE2-CD2 3.59Å; Y116-H120 AromaticContact CE2-NE2 3.76Å; Y116-H120 AromaticContact CG-CD2 3.99Å; Y116-H120 AromaticContact CZ-CD2 3.43Å; Y116-H120 VanDerWaalsContact CZ-CD2 3.43Å; Y116-H120 AromaticContact CZ-NE2 3.86Å; Y116-H120 PolarHBondContact O-CD2 3.28Å; Y116-H120 PolarHBondContact O-N 3.26Å; F117-H120 CarbonylContact O-C 3.54Å; F117-H120 PolarHBondContact O-N 3.17Å; C118-H120 VanDerWaalsContact C-N 3.31Å; C118-H120 PolarHBondContact O-N 3.48Å; H120-G122 VanDerWaalsContact C-N 3.3Å; H120-G122 PolarHBondContact O-N 3.42Å; H120-G122 VanDerWaalsContact O-N 3.16Å; H120-A123 PolarHBondContact O-N 3.23Å; H120-I124 HydrophobicContact CB-CD1 4.11Å; H120-I124 HydrophobicContact CB-CG1 4.45Å; H120-I124 WeakPolarHBondContact O-CG1 3.48Å; H120-I124 PolarHBondContact O-N 3.19Å; H120-I124 VanDerWaalsContact O-N 3.11Å
121	A	88.6	Confident	88.4	Confident	3 Å²	3	50.3 Å²	50.3	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-54.6	-42.9	-168.9	0	0	0	0	0	113.1	F117 C118 A123 I124 I125 L146 I154	F117-A121 HydrophobicContact CE1-CB 4.45Å; F117-A121 WeakPolarHBondContact O-CA 3.41Å; F117-A121 WeakPolarHBondContact O-CB 3.38Å; F117-A121 PolarHBondContact O-N 2.87Å; C118-A121 PolarHBondContact O-N 3.3Å; A121-A123 VanDerWaalsContact C-N 3.33Å; A121-A123 PolarHBondContact O-N 2.94Å; A121-I124 PolarHBondContact O-N 3.24Å; A121-I125 WeakPolarHBondContact O-CB 3.2Å; A121-I125 WeakPolarHBondContact O-CD1 3.43Å; A121-I125 VanDerWaalsContact O-CG1 3.25Å; A121-I125 WeakPolarHBondContact O-CG1 3.48Å; A121-I125 PolarHBondContact O-N 2.9Å; A121-L146 HydrophobicContact CB-CD2 4.04Å; A121-I154 HydrophobicContact CB-CD1 3.67Å
122	G	87.8	Confident	87.8	Confident	38 Å²	38	53.2 Å²	53.2	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-38.2	178.5	0	0	0	0	0	113.9	H120 A126	H120-G122 VanDerWaalsContact C-N 3.3Å; H120-G122 PolarHBondContact O-N 3.42Å; H120-G122 VanDerWaalsContact O-N 3.16Å; G122-A126 WeakPolarHBondContact O-CB 3.13Å; G122-A126 PolarHBondContact O-N 3.31Å
123	A	87.5	Confident	87.3	Confident	55 Å²	55	54 Å²	54	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-74.9	-38.2	178.2	0	0	0	0	0	111.8	T91 H120 A121 A126 S127	T91-A123 HydrophobicContact CG2-CB 4.27Å; H120-A123 PolarHBondContact O-N 3.23Å; A121-A123 VanDerWaalsContact C-N 3.33Å; A121-A123 PolarHBondContact O-N 2.94Å; A123-A126 PolarHBondContact O-N 2.8Å; A123-S127 PolarHBondContact O-N 2.79Å
124	I	87.7	Confident	87	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-42.4	179.7	-62.4	164	0	0	0	110.6	T91 V94 F117 H120 A121 A126 S127	T91-I124 HydrophobicContact CG2-CG1 4.29Å; V94-I124 HydrophobicContact CG1-CD1 3.66Å; V94-I124 HydrophobicContact CG1-CG1 4.08Å; F117-I124 HydrophobicContact CB-CD1 4.2Å; F117-I124 HydrophobicContact CD2-CD1 3.73Å; F117-I124 HydrophobicContact CD2-CG2 3.95Å; F117-I124 HydrophobicContact CE2-CB 4.3Å; F117-I124 HydrophobicContact CE2-CD1 4.32Å; F117-I124 HydrophobicContact CE2-CG2 3.52Å; F117-I124 HydrophobicContact CG-CD1 4.03Å; F117-I124 HydrophobicContact CZ-CG2 4.3Å; H120-I124 HydrophobicContact CB-CD1 4.11Å; H120-I124 HydrophobicContact CB-CG1 4.45Å; H120-I124 WeakPolarHBondContact O-CG1 3.48Å; H120-I124 PolarHBondContact O-N 3.19Å; H120-I124 VanDerWaalsContact O-N 3.11Å; A121-I124 PolarHBondContact O-N 3.24Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.13Å; I124-S127 WeakPolarHBondContact O-CB 3.39Å; I124-S127 PolarHBondContact O-N 3.27Å; I124-S127 VanDerWaalsContact O-N 3.11Å
125	I	86.8	Confident	86.6	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-67.7	-33.5	178.4	-67	165.4	0	0	0	111.6	A121 S127 L131 I154 D156 I161	A121-I125 WeakPolarHBondContact O-CB 3.2Å; A121-I125 WeakPolarHBondContact O-CD1 3.43Å; A121-I125 VanDerWaalsContact O-CG1 3.25Å; A121-I125 WeakPolarHBondContact O-CG1 3.48Å; A121-I125 PolarHBondContact O-N 2.9Å; I125-S127 PolarHBondContact O-N 2.91Å; I125-L131 HydrophobicContact CG1-CD1 3.96Å; I125-I154 HydrophobicContact CB-CG2 4.5Å; I125-I154 HydrophobicContact CD1-CD1 4.29Å; I125-I154 HydrophobicContact CD1-CG2 3.58Å; I125-I154 HydrophobicContact CG2-CG2 4.45Å; I125-D156 HydrophobicContact CG2-CB 3.82Å; I125-I161 HydrophobicContact CD1-CG2 3.61Å; I125-I161 HydrophobicContact CG1-CG2 3.75Å
126	A	86.2	Confident	86.4	Confident	80 Å²	80	53.5 Å²	53.5	66%	0.661	33%	0.325	S	S	*	.	H	α-helix	trans	-69.6	-18.9	173.9	0	0	0	0	0	113.4	G122 A123 I124	G122-A126 WeakPolarHBondContact O-CB 3.13Å; G122-A126 PolarHBondContact O-N 3.31Å; A123-A126 PolarHBondContact O-N 2.8Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.13Å
127	S	85.8	Confident	86.2	Confident	23 Å²	23	53.9 Å²	53.9	16%	0.161	34%	0.335	C	S	.	.	S	Bend	trans	-63.3	149	178.8	-162.4	0	0	0	0	111.6	A123 I124 I125 F129 K160	A123-S127 PolarHBondContact O-N 2.79Å; I124-S127 WeakPolarHBondContact O-CB 3.39Å; I124-S127 PolarHBondContact O-N 3.27Å; I124-S127 VanDerWaalsContact O-N 3.11Å; I125-S127 PolarHBondContact O-N 2.91Å; S127-F129 PolarHBondContact O-N 3.3Å; S127-F129 WeakPolarHBondContact OG-CD2 3.4Å; S127-F129 WeakPolarHBondContact OG-CE2 3.1Å; S127-K160 PolarHBondContact O-NZ 3.32Å
128	P	79.2	Confident	86.2	Confident	118 Å²	118	54 Å²	54	77%	0.766	34%	0.335	S	S	*	.	S	Bend	trans	-67.6	-12.5	-178.1	26.2	-36.1	0	0	0	114.8
129	F	79.2	Confident	86.3	Confident	93 Å²	93	53.1 Å²	53.1	41%	0.408	33%	0.33	S	S	.	.	S	Bend	trans	-60.1	146.9	-179.1	-54.5	-63.8	0	0	0	112.8	L95 S127 K160	L95-F129 HydrophobicContact CD2-CB 3.84Å; S127-F129 PolarHBondContact O-N 3.3Å; S127-F129 WeakPolarHBondContact OG-CD2 3.4Å; S127-F129 WeakPolarHBondContact OG-CE2 3.1Å; F129-K160 PolarHBondContact O-NZ 2.76Å
130	S	80.5	Confident	86.3	Confident	67 Å²	67	49.8 Å²	49.8	47%	0.469	32%	0.317	S	S	.	.			trans	-76.2	135.2	167	177.6	0	0	0	0	109.2	D132	S130-D132 WeakPolarHBondContact OG-CB 3.37Å; S130-D132 PolarHBondContact OG-N 2.75Å; S130-D132 VanDerWaalsContact OG-N 3.16Å; S130-D132 PolarHBondContact OG-OD2 3.21Å
131	L	82.7	Confident	86.4	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	32%	0.317	C	S	.	.	S	Bend	trans	-95.2	4.8	175.5	-63.8	177	0	0	0	112.1	L95 I125 C133 L134 K160 I161	L95-L131 HydrophobicContact CD1-CD2 3.71Å; L95-L131 HydrophobicContact CD2-CD2 3.77Å; L95-L131 HydrophobicContact CG-CD2 4.38Å; I125-L131 HydrophobicContact CG1-CD1 3.96Å; L131-C133 PolarHBondContact O-N 2.93Å; L131-L134 HydrophobicContact CB-CD1 4.29Å; L131-L134 HydrophobicContact CD2-CD1 4.27Å; L131-L134 WeakPolarHBondContact O-CB 3.16Å; L131-L134 PolarHBondContact O-N 3.21Å; L131-K160 HydrophobicContact CD1-CB 4.01Å; L131-K160 HydrophobicContact CG-CB 4.47Å; L131-I161 HydrophobicContact CB-CB 4.45Å; L131-I161 HydrophobicContact CD1-CB 3.76Å; L131-I161 HydrophobicContact CD1-CD1 4.25Å; L131-I161 HydrophobicContact CD1-CG2 3.66Å
132	D	81	Confident	86.6	Confident	110 Å²	110	50.5 Å²	50.5	59%	0.588	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.9	178.7	-64.6	-46.8	0	0	0	113.3	S130 L134 K164	S130-D132 WeakPolarHBondContact OG-CB 3.37Å; S130-D132 PolarHBondContact OG-N 2.75Å; S130-D132 VanDerWaalsContact OG-N 3.16Å; S130-D132 PolarHBondContact OG-OD2 3.21Å; D132-L134 PolarHBondContact O-N 3.14Å; D132-K164 IonicContact OD1-NZ 2.77Å; D132-K164 PolarHBondContact OD1-NZ 3.25Å
133	C	82.5	Confident	86.8	Confident	68 Å²	68	48.9 Å²	48.9	46%	0.459	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.5	173.6	57.8	0	0	0	0	113.7	V99 L131 G135	V99-C133 HydrophobicContact CG2-CB 4.23Å; L131-C133 PolarHBondContact O-N 2.93Å; C133-G135 PolarHBondContact O-N 3.44Å
134	L	87.5	Confident	86.8	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	31%	0.305	C	S	.	.	S	Bend	trans	-79	112.6	175.5	-62.8	172.3	0	0	0	109.7	L95 L98 V99 L131 D132 L138 V139 I142 I161	L95-L134 HydrophobicContact CD1-CD1 4.15Å; L95-L134 HydrophobicContact CD1-CD2 3.82Å; L95-L134 HydrophobicContact CD1-CG 4Å; L98-L134 HydrophobicContact CD2-CD2 3.95Å; L98-L134 HydrophobicContact CG-CD2 4.47Å; V99-L134 HydrophobicContact CG2-CD2 4Å; L131-L134 HydrophobicContact CB-CD1 4.29Å; L131-L134 HydrophobicContact CD2-CD1 4.27Å; L131-L134 WeakPolarHBondContact O-CB 3.16Å; L131-L134 PolarHBondContact O-N 3.21Å; D132-L134 PolarHBondContact O-N 3.14Å; L134-L138 HydrophobicContact CD2-CB 4.33Å; L134-L138 HydrophobicContact CD2-CD1 3.9Å; L134-V139 HydrophobicContact CB-CG2 4.02Å; L134-I142 HydrophobicContact CD1-CD1 3.92Å; L134-I161 HydrophobicContact CD1-CD1 3.57Å
135	G	85.9	Confident	86.8	Confident	38 Å²	38	53.1 Å²	53.1	39%	0.392	32%	0.323	S	S	.	.			trans	-66.8	163.9	172.2	0	0	0	0	0	112.9	C133 S137 L138 V139	C133-G135 PolarHBondContact O-N 3.44Å; G135-S137 PolarHBondContact O-N 2.98Å; G135-S137 VanDerWaalsContact O-N 3.16Å; G135-L138 PolarHBondContact O-N 3.44Å; G135-V139 PolarHBondContact O-N 3.46Å; G135-V139 VanDerWaalsContact O-N 3.08Å
136	D	87.9	Confident	86.9	Confident	103 Å²	103	53 Å²	53	55%	0.551	32%	0.323	S	S	*	.	H	α-helix	trans	-54.8	-37.2	-175.3	-74.4	-19.6	0	0	0	113.8	V139 E140	D136-V139 PolarHBondContact O-N 2.81Å; D136-E140 WeakPolarHBondContact O-CB 3.47Å; D136-E140 PolarHBondContact O-N 2.91Å
137	S	90.1	Very high	86.8	Confident	61 Å²	61	53.6 Å²	53.6	43%	0.427	32%	0.315	S	S	.	.	H	α-helix	trans	-65.7	-37.8	178.3	60.4	0	0	0	0	112.8	G135 R141	G135-S137 PolarHBondContact O-N 2.98Å; G135-S137 VanDerWaalsContact O-N 3.16Å; S137-R141 WeakPolarHBondContact O-CG 2.94Å; S137-R141 PolarHBondContact O-N 3.34Å; S137-R141 VanDerWaalsContact O-N 3.08Å
138	L	91.9	Very high	86.8	Confident	2 Å²	2	54 Å²	54	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-70.8	-41.7	175.3	-73.5	178.6	0	0	0	110.9	L98 N102 T110 L134 G135 E140 R141 I142	L98-L138 HydrophobicContact CD1-CD2 4.04Å; L98-L138 HydrophobicContact CG-CD1 4.31Å; L98-L138 HydrophobicContact CG-CD2 4.34Å; N102-L138 HydrophobicContact CB-CD1 3.92Å; N102-L138 HydrophobicContact CB-CD2 3.86Å; N102-L138 HydrophobicContact CB-CG 4.19Å; T110-L138 HydrophobicContact CG2-CD2 4.05Å; L134-L138 HydrophobicContact CD2-CB 4.33Å; L134-L138 HydrophobicContact CD2-CD1 3.9Å; G135-L138 PolarHBondContact O-N 3.44Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-E140 PolarHBondContact O-N 3.38Å; L138-R141 PolarHBondContact O-N 2.88Å; L138-I142 WeakPolarHBondContact O-CB 3.21Å; L138-I142 VanDerWaalsContact O-CG1 3.22Å; L138-I142 WeakPolarHBondContact O-CG1 3.27Å; L138-I142 PolarHBondContact O-N 3.44Å
139	V	92.1	Very high	87	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-39.9	176.4	179.7	0	0	0	0	110.9	L134 G135 D136 I142 S143 K164 I165 K168	L134-V139 HydrophobicContact CB-CG2 4.02Å; G135-V139 PolarHBondContact O-N 3.46Å; G135-V139 VanDerWaalsContact O-N 3.08Å; D136-V139 PolarHBondContact O-N 2.81Å; V139-I142 PolarHBondContact O-N 3.32Å; V139-S143 VanDerWaalsContact O-CB 3.31Å; V139-S143 WeakPolarHBondContact O-CB 3.39Å; V139-S143 PolarHBondContact O-N 3.34Å; V139-K164 HydrophobicContact CG1-CB 4.1Å; V139-I165 HydrophobicContact CG1-CG1 4.47Å; V139-K168 HydrophobicContact CG1-CG 3.9Å
140	E	91.7	Very high	87.2	Confident	96 Å²	96	52 Å²	52	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-47.6	174.2	-175.4	176	-172.8	0	0	111.9	D136 L138 I142 S143 L144	D136-E140 WeakPolarHBondContact O-CB 3.47Å; D136-E140 PolarHBondContact O-N 2.91Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-E140 PolarHBondContact O-N 3.38Å; E140-I142 VanDerWaalsContact C-N 3.35Å; E140-I142 PolarHBondContact O-N 2.83Å; E140-S143 WeakPolarHBondContact O-CB 3.49Å; E140-S143 PolarHBondContact O-N 2.83Å; E140-S143 VanDerWaalsContact O-N 3.1Å; E140-L144 WeakPolarHBondContact O-CG 3.44Å; E140-L144 PolarHBondContact O-N 3.43Å
141	R	92.5	Very high	87.5	Confident	80 Å²	80	48.9 Å²	48.9	30%	0.302	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-41.1	176.2	-71	178.2	72.2	-178.3	2	112.5	S111 L114 S137 L138 S143 L144 G145	S111-R141 PolarHBondContact OG-NH2 3.38Å; L114-R141 HydrophobicContact CD1-CB 3.87Å; L114-R141 HydrophobicContact CD1-CG 4.49Å; L114-R141 VanDerWaalsContact CD1-NH2 3.33Å; L114-R141 HydrophobicContact CD2-CB 4.29Å; S137-R141 WeakPolarHBondContact O-CG 2.94Å; S137-R141 PolarHBondContact O-N 3.34Å; S137-R141 VanDerWaalsContact O-N 3.08Å; L138-R141 PolarHBondContact O-N 2.88Å; R141-S143 VanDerWaalsContact C-N 3.33Å; R141-L144 PolarHBondContact O-N 3.48Å; R141-G145 PolarHBondContact O-N 3.35Å
142	I	92.2	Very high	87.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-42.3	173.6	-68.3	165.5	0	0	0	110.3	L98 L114 F117 L134 L138 V139 E140 L144 G145 L146 I161 I165	L98-I142 HydrophobicContact CD2-CD1 4.39Å; L114-I142 HydrophobicContact CD2-CD1 4.31Å; L114-I142 HydrophobicContact CD2-CG1 3.47Å; L114-I142 VanDerWaalsContact CD2-CG1 3.47Å; F117-I142 HydrophobicContact CD1-CD1 4.14Å; F117-I142 HydrophobicContact CD1-CG1 4.12Å; F117-I142 HydrophobicContact CD1-CG2 4.04Å; F117-I142 HydrophobicContact CE1-CD1 3.93Å; F117-I142 HydrophobicContact CE1-CG1 4.24Å; F117-I142 HydrophobicContact CE1-CG2 3.69Å; F117-I142 HydrophobicContact CZ-CD1 4.15Å; L134-I142 HydrophobicContact CD1-CD1 3.92Å; L138-I142 WeakPolarHBondContact O-CB 3.21Å; L138-I142 VanDerWaalsContact O-CG1 3.22Å; L138-I142 WeakPolarHBondContact O-CG1 3.27Å; L138-I142 PolarHBondContact O-N 3.44Å; V139-I142 PolarHBondContact O-N 3.32Å; E140-I142 VanDerWaalsContact C-N 3.35Å; E140-I142 PolarHBondContact O-N 2.83Å; I142-L144 VanDerWaalsContact C-N 3.31Å; I142-L144 PolarHBondContact O-N 2.8Å; I142-G145 PolarHBondContact O-N 2.86Å; I142-L146 HydrophobicContact CG2-CD1 3.66Å; I142-L146 HydrophobicContact CG2-CG 4.24Å; I142-L146 WeakPolarHBondContact O-CG 3.33Å; I142-L146 PolarHBondContact O-N 3.36Å; I142-I161 HydrophobicContact CD1-CD1 4.41Å; I142-I165 HydrophobicContact CG2-CD1 4.12Å; I142-I165 HydrophobicContact CG2-CG1 4.49Å
143	S	91	Very high	87.7	Confident	5 Å²	5	52.3 Å²	52.3	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-39.1	178.5	-176.7	0	0	0	0	112.5	V139 E140 R141 I165 K169	V139-S143 VanDerWaalsContact O-CB 3.31Å; V139-S143 WeakPolarHBondContact O-CB 3.39Å; V139-S143 PolarHBondContact O-N 3.34Å; E140-S143 WeakPolarHBondContact O-CB 3.49Å; E140-S143 PolarHBondContact O-N 2.83Å; E140-S143 VanDerWaalsContact O-N 3.1Å; R141-S143 VanDerWaalsContact C-N 3.33Å; S143-I165 PolarHBondContact OG-O 3.01Å; S143-K169 PolarHBondContact O-NZ 2.91Å; S143-K169 WeakPolarHBondContact OG-CG 3.48Å
144	L	88.9	Confident	87.9	Confident	109 Å²	109	49.8 Å²	49.8	57%	0.571	27%	0.268	S	S	*	.	H	α-helix	trans	-72.5	-34.5	175.8	-67.2	173.2	0	0	0	112.7	E140 R141 I142	E140-L144 WeakPolarHBondContact O-CG 3.44Å; E140-L144 PolarHBondContact O-N 3.43Å; R141-L144 PolarHBondContact O-N 3.48Å; I142-L144 VanDerWaalsContact C-N 3.31Å; I142-L144 PolarHBondContact O-N 2.8Å
145	G	87.2	Confident	87.7	Confident	41 Å²	41	58.1 Å²	58.1	42%	0.423	30%	0.303	S	S	.	.	H	α-helix	trans	-75.7	-23	178.7	0	0	0	0	0	114.8	R141 I142	R141-G145 PolarHBondContact O-N 3.35Å; I142-G145 PolarHBondContact O-N 2.86Å
146	L	88.7	Confident	87.7	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.016	29%	0.29	C	S	.	.	S	Bend	trans	-92.1	126.1	-179.2	-72.1	174.6	0	0	0	113	C118 A121 I142 L151 I165 K169	C118-L146 HydrophobicContact CB-CD2 3.94Å; A121-L146 HydrophobicContact CB-CD2 4.04Å; I142-L146 HydrophobicContact CG2-CD1 3.66Å; I142-L146 HydrophobicContact CG2-CG 4.24Å; I142-L146 WeakPolarHBondContact O-CG 3.33Å; I142-L146 PolarHBondContact O-N 3.36Å; L146-L151 HydrophobicContact CD1-CD1 4.42Å; L146-I165 HydrophobicContact CD1-CD1 3.92Å; L146-K169 PolarHBondContact O-NZ 3.12Å
147	N	85.3	Confident	87.3	Confident	92 Å²	92	62 Å²	62	49%	0.492	31%	0.306	S	S	.	.			trans	-70.2	149.2	172.5	-65.7	-45.3	0	0	0	111.5	E149 E150 L151	N147-E149 VanDerWaalsContact C-N 3.31Å; N147-E149 PolarHBondContact O-N 3.22Å; N147-E150 HydrophobicContact CB-CB 4.34Å; N147-E150 HydrophobicContact CB-CG 4.15Å; N147-E150 PolarHBondContact ND2-OE1 3.02Å; N147-E150 PolarHBondContact O-N 3.38Å; N147-L151 WeakPolarHBondContact O-CB 3.49Å; N147-L151 PolarHBondContact O-N 3.34Å
148	L	85.1	Confident	86.9	Confident	30 Å²	30	67.6 Å²	67.6	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-39.8	178.9	-72.8	174.3	0	0	0	112.7	L151 D152 K169 F314 W315 L474	L148-L151 PolarHBondContact O-N 2.8Å; L148-D152 PolarHBondContact O-N 2.85Å; L148-K169 HydrophobicContact CD2-CD 3.57Å; L148-F314 HydrophobicContact CD1-CE1 4.35Å; L148-F314 HydrophobicContact CD1-CZ 4.12Å; L148-F314 HydrophobicContact CD2-CE1 3.64Å; L148-F314 HydrophobicContact CD2-CZ 3.56Å; L148-W315 HydrophobicContact CB-CH2 4.4Å; L148-W315 HydrophobicContact CD1-CH2 4.2Å; L148-L474 HydrophobicContact CD1-CD1 4.48Å
149	E	82.8	Confident	86.6	Confident	86 Å²	86	71.3 Å²	71.3	40%	0.402	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-38.5	178.2	-64.9	-174.8	-168.2	0	0	112.8	N147 K153	N147-E149 VanDerWaalsContact C-N 3.31Å; N147-E149 PolarHBondContact O-N 3.22Å; E149-K153 WeakPolarHBondContact O-CD 3.46Å; E149-K153 VanDerWaalsContact O-CG 3.29Å; E149-K153 WeakPolarHBondContact O-CG 3.45Å; E149-K153 PolarHBondContact O-N 3.39Å
150	E	84.2	Confident	86.2	Confident	84 Å²	84	73.1 Å²	73.1	39%	0.393	35%	0.35	S	S	.	.	H	α-helix	trans	-69.4	-45.4	176.9	-70	169	-179.7	0	0	110.1	N147 D152 K153 I154	N147-E150 HydrophobicContact CB-CB 4.34Å; N147-E150 HydrophobicContact CB-CG 4.15Å; N147-E150 PolarHBondContact ND2-OE1 3.02Å; N147-E150 PolarHBondContact O-N 3.38Å; E150-D152 VanDerWaalsContact C-N 3.3Å; E150-D152 PolarHBondContact O-N 3.48Å; E150-K153 PolarHBondContact O-N 3.21Å; E150-K153 VanDerWaalsContact O-N 3.16Å; E150-I154 WeakPolarHBondContact O-CG1 3.5Å; E150-I154 PolarHBondContact O-N 2.85Å
151	L	86.9	Confident	86	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-38.9	179.3	-177.3	62.2	0	0	0	112.5	L146 N147 L148 I154 K162 I165 F166 K169	L146-L151 HydrophobicContact CD1-CD1 4.42Å; N147-L151 WeakPolarHBondContact O-CB 3.49Å; N147-L151 PolarHBondContact O-N 3.34Å; L148-L151 PolarHBondContact O-N 2.8Å; L151-I154 PolarHBondContact O-N 2.91Å; L151-K162 HydrophobicContact CD1-CG 4.39Å; L151-K162 VanDerWaalsContact O-CE 3.3Å; L151-K162 WeakPolarHBondContact O-CE 3.27Å; L151-K162 PolarHBondContact O-NZ 3Å; L151-I165 HydrophobicContact CD1-CB 4.38Å; L151-I165 HydrophobicContact CD1-CD1 4.18Å; L151-I165 HydrophobicContact CD1-CG2 3.92Å; L151-I165 HydrophobicContact CD2-CG2 3.61Å; L151-I165 HydrophobicContact CG-CG2 4.44Å; L151-F166 HydrophobicContact CD1-CE2 4.5Å; L151-F166 HydrophobicContact CD2-CD1 4.14Å; L151-F166 HydrophobicContact CD2-CD2 4.24Å; L151-F166 HydrophobicContact CD2-CE1 3.75Å; L151-F166 HydrophobicContact CD2-CE2 3.83Å; L151-F166 HydrophobicContact CD2-CG 4.38Å; L151-F166 HydrophobicContact CD2-CZ 3.57Å; L151-F166 HydrophobicContact CG-CE1 4.44Å; L151-F166 HydrophobicContact CG-CE2 3.9Å; L151-F166 HydrophobicContact CG-CZ 3.78Å; L151-K169 HydrophobicContact CD2-CD 3.88Å
152	D	83	Confident	85.9	Confident	37 Å²	37	66.3 Å²	66.3	20%	0.198	32%	0.321	C	S	.	.	H	α-helix	trans	-69	-35.7	178.9	-156.7	39.3	0	0	0	111.9	L148 E150 I154 K162 R311 H478	L148-D152 PolarHBondContact O-N 2.85Å; E150-D152 VanDerWaalsContact C-N 3.3Å; E150-D152 PolarHBondContact O-N 3.48Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.94Å; D152-K162 PolarHBondContact O-NZ 2.87Å; D152-R311 IonicContact OD1-CZ 3.95Å; D152-R311 VanDerWaalsContact OD1-CZ 3.29Å; D152-R311 IonicContact OD1-NE 2.78Å; D152-R311 PolarHBondContact OD1-NE 3.41Å; D152-R311 IonicContact OD1-NH2 2.77Å; D152-R311 PolarHBondContact OD1-NH2 3.05Å; D152-R311 IonicContact OD2-NH2 3.16Å; D152-H478 IonicContact OD2-CE1 3.93Å; D152-H478 PolarHBondContact OD2-CE1 3.47Å
153	K	85	Confident	85.8	Confident	151 Å²	151	67 Å²	67	66%	0.657	33%	0.326	S	S	*	.	H	α-helix	trans	-70.5	-22.6	178.1	-70	168.7	-172.1	166.8	0	113.9	E149 E150 K155	E149-K153 WeakPolarHBondContact O-CD 3.46Å; E149-K153 VanDerWaalsContact O-CG 3.29Å; E149-K153 WeakPolarHBondContact O-CG 3.45Å; E149-K153 PolarHBondContact O-N 3.39Å; E150-K153 PolarHBondContact O-N 3.21Å; E150-K153 VanDerWaalsContact O-N 3.16Å; K153-K155 PolarHBondContact O-N 3.49Å
154	I	86.1	Confident	85.8	Confident	15 Å²	15	70.7 Å²	70.7	8%	0.077	34%	0.341	C	S	.	.			trans	-67.2	125.6	179	-69.2	168	0	0	0	110.6	A121 I125 E150 L151 D152 D156 K162	A121-I154 HydrophobicContact CB-CD1 3.67Å; I125-I154 HydrophobicContact CB-CG2 4.5Å; I125-I154 HydrophobicContact CD1-CD1 4.29Å; I125-I154 HydrophobicContact CD1-CG2 3.58Å; I125-I154 HydrophobicContact CG2-CG2 4.45Å; E150-I154 WeakPolarHBondContact O-CG1 3.5Å; E150-I154 PolarHBondContact O-N 2.85Å; L151-I154 PolarHBondContact O-N 2.91Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.94Å; I154-D156 PolarHBondContact O-N 3.28Å; I154-K162 PolarHBondContact O-NZ 2.8Å
155	K	83.4	Confident	86	Confident	181 Å²	181	65.5 Å²	65.5	79%	0.787	31%	0.314	S	S	*	.			trans	-90	96	175.8	-67.7	-178.1	-179.3	176.6	0	110.8	K153	K153-K155 PolarHBondContact O-N 3.49Å
156	D	85.6	Confident	86.3	Confident	21 Å²	21	63.6 Å²	63.6	11%	0.112	29%	0.294	C	S	.	.			trans	-110	82.4	174.8	-170.6	1.7	0	0	0	110.7	I125 I154 K158 D159 K160 I161 K162	I125-D156 HydrophobicContact CG2-CB 3.82Å; I154-D156 PolarHBondContact O-N 3.28Å; D156-K158 VanDerWaalsContact C-N 3.3Å; D156-K158 PolarHBondContact O-N 3.12Å; D156-D159 PolarHBondContact O-N 2.76Å; D156-D159 PolarHBondContact OD1-N 2.77Å; D156-D159 VanDerWaalsContact OD1-N 3.13Å; D156-K160 VanDerWaalsContact CG-N 3.31Å; D156-K160 PolarHBondContact OD1-N 2.99Å; D156-K160 PolarHBondContact OD2-N 3.01Å; D156-I161 PolarHBondContact OD2-N 2.84Å; D156-K162 HydrophobicContact CB-CB 3.71Å; D156-K162 HydrophobicContact CB-CD 4.02Å; D156-K162 HydrophobicContact CB-CG 4.49Å; D156-K162 WeakPolarHBondContact OD2-CB 3.19Å; D156-K162 PolarHBondContact OD2-N 2.91Å
157	K	80.7	Confident	86.5	Confident	202 Å²	202	65.7 Å²	65.7	88%	0.878	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.6	-175.2	-68.6	-173.7	178.4	-176.5	0	113.9
158	K	81.1	Confident	86.9	Confident	179 Å²	179	63 Å²	63	78%	0.778	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	4.8	-178.5	-67.4	-171.7	177.6	-174	0	112.1	D156 K160	D156-K158 VanDerWaalsContact C-N 3.3Å; D156-K158 PolarHBondContact O-N 3.12Å; K158-K160 VanDerWaalsContact C-N 3.26Å; K158-K160 HydrophobicContact CB-CG 4.09Å; K158-K160 PolarHBondContact O-N 3.31Å
159	D	84.4	Confident	87.3	Confident	79 Å²	79	62.9 Å²	62.9	42%	0.422	29%	0.287	S	S	.	.			trans	47.7	47.1	-176.8	-164	26.5	0	0	0	113.3	D156 I161 S163	D156-D159 PolarHBondContact O-N 2.76Å; D156-D159 PolarHBondContact OD1-N 2.77Å; D156-D159 VanDerWaalsContact OD1-N 3.13Å; D159-I161 VanDerWaalsContact C-N 3.3Å; D159-I161 PolarHBondContact O-N 3.02Å; D159-S163 VanDerWaalsContact CG-CB 3.44Å; D159-S163 WeakPolarHBondContact OD1-CB 3.47Å; D159-S163 PolarHBondContact OD1-N 2.95Å; D159-S163 PolarHBondContact OD1-OG 2.86Å; D159-S163 WeakPolarHBondContact OD2-CB 3.3Å; D159-S163 PolarHBondContact OD2-OG 2.99Å
160	K	83.6	Confident	87.9	Confident	43 Å²	43	59 Å²	59	19%	0.187	27%	0.269	C	S	.	.	S	Bend	trans	-65.9	-34.6	-176.6	-64.9	-174.8	172.7	-165.5	0	112.4	S127 F129 L131 D156 K158	S127-K160 PolarHBondContact O-NZ 3.32Å; F129-K160 PolarHBondContact O-NZ 2.76Å; L131-K160 HydrophobicContact CD1-CB 4.01Å; L131-K160 HydrophobicContact CG-CB 4.47Å; D156-K160 VanDerWaalsContact CG-N 3.31Å; D156-K160 PolarHBondContact OD1-N 2.99Å; D156-K160 PolarHBondContact OD2-N 3.01Å; K158-K160 VanDerWaalsContact C-N 3.26Å; K158-K160 HydrophobicContact CB-CG 4.09Å; K158-K160 PolarHBondContact O-N 3.31Å
161	I	88.8	Confident	88.4	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	26%	0.261	C	S	.	.	S	Bend	trans	-148.8	-22	-175.6	-160.5	174.7	0	0	0	113	F117 I125 L131 L134 I142 D156 D159 S163 K164 I165	F117-I161 HydrophobicContact CZ-CD1 4.29Å; I125-I161 HydrophobicContact CD1-CG2 3.61Å; I125-I161 HydrophobicContact CG1-CG2 3.75Å; L131-I161 HydrophobicContact CB-CB 4.45Å; L131-I161 HydrophobicContact CD1-CB 3.76Å; L131-I161 HydrophobicContact CD1-CD1 4.25Å; L131-I161 HydrophobicContact CD1-CG2 3.66Å; L134-I161 HydrophobicContact CD1-CD1 3.57Å; I142-I161 HydrophobicContact CD1-CD1 4.41Å; D156-I161 PolarHBondContact OD2-N 2.84Å; D159-I161 VanDerWaalsContact C-N 3.3Å; D159-I161 PolarHBondContact O-N 3.02Å; I161-S163 PolarHBondContact O-N 2.88Å; I161-K164 PolarHBondContact O-N 3.01Å; I161-I165 HydrophobicContact CB-CD1 4.48Å; I161-I165 HydrophobicContact CD1-CD1 4.22Å; I161-I165 HydrophobicContact CG1-CD1 3.94Å; I161-I165 HydrophobicContact CG1-CG1 4.07Å; I161-I165 HydrophobicContact CG2-CD1 4.02Å; I161-I165 WeakPolarHBondContact O-CG1 3.42Å; I161-I165 PolarHBondContact O-N 2.81Å
162	K	89.6	Confident	88.6	Confident	31 Å²	31	60.9 Å²	60.9	14%	0.135	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-47.7	-172.3	-170.8	169	-174.5	171.6	0	112.1	L151 D152 I154 D156 K164 I165 F166	L151-K162 HydrophobicContact CD1-CG 4.39Å; L151-K162 VanDerWaalsContact O-CE 3.3Å; L151-K162 WeakPolarHBondContact O-CE 3.27Å; L151-K162 PolarHBondContact O-NZ 3Å; D152-K162 PolarHBondContact O-NZ 2.87Å; I154-K162 PolarHBondContact O-NZ 2.8Å; D156-K162 HydrophobicContact CB-CB 3.71Å; D156-K162 HydrophobicContact CB-CD 4.02Å; D156-K162 HydrophobicContact CB-CG 4.49Å; D156-K162 WeakPolarHBondContact OD2-CB 3.19Å; D156-K162 PolarHBondContact OD2-N 2.91Å; K162-K164 PolarHBondContact O-N 3.15Å; K162-I165 PolarHBondContact O-N 2.86Å; K162-F166 HydrophobicContact CD-CE2 4.33Å; K162-F166 HydrophobicContact CG-CD2 3.95Å; K162-F166 HydrophobicContact CG-CE2 3.72Å; K162-F166 VanDerWaalsContact O-CD2 3.23Å; K162-F166 WeakPolarHBondContact O-CD2 3.27Å; K162-F166 PolarHBondContact O-N 3.09Å
163	S	90.3	Very high	89.2	Confident	15 Å²	15	59.5 Å²	59.5	11%	0.105	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-40.5	174.2	-83.5	0	0	0	0	113.7	D159 I161 I165 F166 L167	D159-S163 VanDerWaalsContact CG-CB 3.44Å; D159-S163 WeakPolarHBondContact OD1-CB 3.47Å; D159-S163 PolarHBondContact OD1-N 2.95Å; D159-S163 PolarHBondContact OD1-OG 2.86Å; D159-S163 WeakPolarHBondContact OD2-CB 3.3Å; D159-S163 PolarHBondContact OD2-OG 2.99Å; I161-S163 PolarHBondContact O-N 2.88Å; S163-I165 VanDerWaalsContact C-N 3.31Å; S163-I165 PolarHBondContact O-N 3.37Å; S163-F166 PolarHBondContact O-N 2.72Å; S163-L167 WeakPolarHBondContact O-CB 3.26Å; S163-L167 PolarHBondContact O-N 2.9Å
164	K	90.6	Very high	89.6	Confident	83 Å²	83	54.6 Å²	54.6	36%	0.361	25%	0.249	S	C	.	.	H	α-helix	trans	-62.1	-40.2	176.8	-64.2	-175.4	-175.4	171.3	0	111	D132 V139 I161 K162 L167 K168	D132-K164 IonicContact OD1-NZ 2.77Å; D132-K164 PolarHBondContact OD1-NZ 3.25Å; V139-K164 HydrophobicContact CG1-CB 4.1Å; I161-K164 PolarHBondContact O-N 3.01Å; K162-K164 PolarHBondContact O-N 3.15Å; K164-L167 PolarHBondContact O-N 2.77Å; K164-K168 PolarHBondContact O-N 3.38Å
165	I	92.7	Very high	89.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-47.1	174.9	-66.6	162.7	0	0	0	110.7	V139 I142 S143 L146 L151 I161 K162 S163 L167 K168 K169	V139-I165 HydrophobicContact CG1-CG1 4.47Å; I142-I165 HydrophobicContact CG2-CD1 4.12Å; I142-I165 HydrophobicContact CG2-CG1 4.49Å; S143-I165 PolarHBondContact OG-O 3.01Å; L146-I165 HydrophobicContact CD1-CD1 3.92Å; L151-I165 HydrophobicContact CD1-CB 4.38Å; L151-I165 HydrophobicContact CD1-CD1 4.18Å; L151-I165 HydrophobicContact CD1-CG2 3.92Å; L151-I165 HydrophobicContact CD2-CG2 3.61Å; L151-I165 HydrophobicContact CG-CG2 4.44Å; I161-I165 HydrophobicContact CB-CD1 4.48Å; I161-I165 HydrophobicContact CD1-CD1 4.22Å; I161-I165 HydrophobicContact CG1-CD1 3.94Å; I161-I165 HydrophobicContact CG1-CG1 4.07Å; I161-I165 HydrophobicContact CG2-CD1 4.02Å; I161-I165 WeakPolarHBondContact O-CG1 3.42Å; I161-I165 PolarHBondContact O-N 2.81Å; K162-I165 PolarHBondContact O-N 2.86Å; S163-I165 VanDerWaalsContact C-N 3.31Å; S163-I165 PolarHBondContact O-N 3.37Å; I165-L167 VanDerWaalsContact C-N 3.29Å; I165-L167 PolarHBondContact O-N 3.36Å; I165-K168 PolarHBondContact O-N 3.09Å; I165-K169 HydrophobicContact CG2-CG 4.47Å; I165-K169 WeakPolarHBondContact O-CG 3.4Å; I165-K169 PolarHBondContact O-N 2.89Å
166	F	94.3	Very high	90.2	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-37.7	177.1	-82.8	-69.4	0	0	0	112.4	L151 K162 S163 K169 I170 W310 R311 F314	L151-F166 HydrophobicContact CD1-CE2 4.5Å; L151-F166 HydrophobicContact CD2-CD1 4.14Å; L151-F166 HydrophobicContact CD2-CD2 4.24Å; L151-F166 HydrophobicContact CD2-CE1 3.75Å; L151-F166 HydrophobicContact CD2-CE2 3.83Å; L151-F166 HydrophobicContact CD2-CG 4.38Å; L151-F166 HydrophobicContact CD2-CZ 3.57Å; L151-F166 HydrophobicContact CG-CE1 4.44Å; L151-F166 HydrophobicContact CG-CE2 3.9Å; L151-F166 HydrophobicContact CG-CZ 3.78Å; K162-F166 HydrophobicContact CD-CE2 4.33Å; K162-F166 HydrophobicContact CG-CD2 3.95Å; K162-F166 HydrophobicContact CG-CE2 3.72Å; K162-F166 VanDerWaalsContact O-CD2 3.23Å; K162-F166 WeakPolarHBondContact O-CD2 3.27Å; K162-F166 PolarHBondContact O-N 3.09Å; S163-F166 PolarHBondContact O-N 2.72Å; F166-K169 CarbonylContact O-C 3.56Å; F166-K169 PolarHBondContact O-N 2.84Å; F166-I170 VanDerWaalsContact O-CG1 3.32Å; F166-I170 WeakPolarHBondContact O-CG1 3.21Å; F166-I170 PolarHBondContact O-N 3.1Å; F166-W310 HydrophobicContact CB-CB 4.02Å; F166-R311 HydrophobicContact CD1-CB 4.35Å; F166-R311 HydrophobicContact CD2-CB 3.6Å; F166-R311 HydrophobicContact CD2-CG 4.21Å; F166-R311 HydrophobicContact CE1-CB 4.35Å; F166-R311 HydrophobicContact CE1-CG 4.1Å; F166-R311 HydrophobicContact CE2-CB 3.62Å; F166-R311 HydrophobicContact CE2-CG 3.72Å; F166-R311 HydrophobicContact CG-CB 4Å; F166-R311 HydrophobicContact CZ-CB 4Å; F166-R311 HydrophobicContact CZ-CG 3.66Å; F166-F314 HydrophobicContact CD1-CB 3.78Å; F166-F314 AromaticContact CD1-CD1 3.91Å; F166-F314 HydrophobicContact CD1-CD1 3.91Å; F166-F314 AromaticContact CD1-CG 3.79Å; F166-F314 HydrophobicContact CD1-CG 3.79Å; F166-F314 AromaticContact CE1-CD1 3.9Å; F166-F314 HydrophobicContact CE1-CD1 3.9Å; F166-F314 HydrophobicContact CE1-CG 4.28Å
167	L	93.3	Very high	90.4	Very high	47 Å²	47	58.1 Å²	58.1	25%	0.246	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-47.2	172.9	-176.7	63.2	0	0	0	111.4	S163 K164 I165 K169 I170 E171 W310	S163-L167 WeakPolarHBondContact O-CB 3.26Å; S163-L167 PolarHBondContact O-N 2.9Å; K164-L167 PolarHBondContact O-N 2.77Å; I165-L167 VanDerWaalsContact C-N 3.29Å; I165-L167 PolarHBondContact O-N 3.36Å; L167-K169 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.15Å; L167-I170 WeakPolarHBondContact O-CB 3.13Å; L167-I170 PolarHBondContact O-N 2.86Å; L167-I170 VanDerWaalsContact O-N 3.09Å; L167-E171 PolarHBondContact O-N 3.22Å; L167-W310 HydrophobicContact CB-CG 4.37Å; L167-W310 HydrophobicContact CD1-CD2 3.95Å; L167-W310 HydrophobicContact CD1-CE3 3.93Å; L167-W310 HydrophobicContact CD1-CH2 4.05Å; L167-W310 HydrophobicContact CD1-CZ2 4.07Å; L167-W310 HydrophobicContact CD1-CZ3 3.98Å
168	K	93.7	Very high	90.5	Very high	35 Å²	35	49 Å²	49	15%	0.152	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-37.2	173.1	-70.6	-51.1	-172.8	-179.2	0	112.9	V139 K164 I165 E171 H172	V139-K168 HydrophobicContact CG1-CG 3.9Å; K164-K168 PolarHBondContact O-N 3.38Å; I165-K168 PolarHBondContact O-N 3.09Å; K168-E171 WeakPolarHBondContact CD-OE2 3.29Å; K168-E171 WeakPolarHBondContact CE-OE2 3.27Å; K168-E171 IonicContact NZ-OE1 2.81Å; K168-E171 IonicContact NZ-OE2 3.52Å; K168-E171 PolarHBondContact NZ-OE2 2.76Å; K168-E171 PolarHBondContact O-N 2.83Å; K168-H172 PolarHBondContact O-N 3.24Å
169	K	93.5	Very high	90.8	Very high	28 Å²	28	45 Å²	45	12%	0.122	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-36.3	173.7	-69	-166.3	-179.3	-68.6	0	112.1	S143 L146 L148 L151 I165 F166 L167 H172 L173 F314	S143-K169 PolarHBondContact O-NZ 2.91Å; S143-K169 WeakPolarHBondContact OG-CG 3.48Å; L146-K169 PolarHBondContact O-NZ 3.12Å; L148-K169 HydrophobicContact CD2-CD 3.57Å; L151-K169 HydrophobicContact CD2-CD 3.88Å; I165-K169 HydrophobicContact CG2-CG 4.47Å; I165-K169 WeakPolarHBondContact O-CG 3.4Å; I165-K169 PolarHBondContact O-N 2.89Å; F166-K169 CarbonylContact O-C 3.56Å; F166-K169 PolarHBondContact O-N 2.84Å; L167-K169 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.15Å; K169-H172 PolarHBondContact O-N 3.42Å; K169-L173 WeakPolarHBondContact O-CG 3.4Å; K169-L173 PolarHBondContact O-N 2.95Å; K169-L173 VanDerWaalsContact O-N 3.1Å; K169-F314 HydrophobicContact CB-CD2 3.81Å; K169-F314 HydrophobicContact CB-CE2 3.67Å
170	I	94.9	Very high	90.8	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-48.1	172.9	-68.8	163.8	0	0	0	110.2	F166 L167 H172 L173 F174 L300 W310 V313 F314 L317	F166-I170 VanDerWaalsContact O-CG1 3.32Å; F166-I170 WeakPolarHBondContact O-CG1 3.21Å; F166-I170 PolarHBondContact O-N 3.1Å; L167-I170 WeakPolarHBondContact O-CB 3.13Å; L167-I170 PolarHBondContact O-N 2.86Å; L167-I170 VanDerWaalsContact O-N 3.09Å; I170-H172 PolarHBondContact O-N 3.38Å; I170-L173 WeakPolarHBondContact O-CB 3.15Å; I170-L173 PolarHBondContact O-N 3.22Å; I170-F174 HydrophobicContact CG2-CD2 4.34Å; I170-F174 HydrophobicContact CG2-CE2 4.01Å; I170-F174 WeakPolarHBondContact O-CD2 3.38Å; I170-F174 PolarHBondContact O-N 3.49Å; I170-L300 HydrophobicContact CG2-CD1 4.16Å; I170-L300 HydrophobicContact CG2-CD2 4.38Å; I170-W310 HydrophobicContact CD1-CE3 3.67Å; I170-W310 HydrophobicContact CD1-CZ3 4.34Å; I170-V313 HydrophobicContact CD1-CB 4.11Å; I170-V313 HydrophobicContact CD1-CG1 3.87Å; I170-F314 HydrophobicContact CD1-CB 4.09Å; I170-F314 HydrophobicContact CG1-CB 3.81Å; I170-F314 HydrophobicContact CG1-CD2 4.01Å; I170-F314 HydrophobicContact CG1-CG 4.43Å; I170-L317 HydrophobicContact CG2-CD2 4.02Å
171	E	94	Very high	91	Very high	49 Å²	49	46 Å²	46	23%	0.229	25%	0.245	C	C	.	.	H	α-helix	trans	-54.3	-44.8	176	-70.3	178.2	169.5	0	0	111	L167 K168 L173 F174 F266	L167-E171 PolarHBondContact O-N 3.22Å; K168-E171 WeakPolarHBondContact CD-OE2 3.29Å; K168-E171 WeakPolarHBondContact CE-OE2 3.27Å; K168-E171 IonicContact NZ-OE1 2.81Å; K168-E171 IonicContact NZ-OE2 3.52Å; K168-E171 PolarHBondContact NZ-OE2 2.76Å; K168-E171 PolarHBondContact O-N 2.83Å; E171-L173 VanDerWaalsContact C-N 3.31Å; E171-L173 PolarHBondContact O-N 3.04Å; E171-F174 PolarHBondContact O-N 2.8Å; E171-F266 HydrophobicContact CG-CD2 4.46Å
172	H	92.8	Very high	90.9	Very high	76 Å²	76	50.8 Å²	50.8	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-34.1	177.5	-164.3	59.4	0	0	0	113	K168 K169 I170 F174 D175 C178	K168-H172 PolarHBondContact O-N 3.24Å; K169-H172 PolarHBondContact O-N 3.42Å; I170-H172 PolarHBondContact O-N 3.38Å; H172-F174 PolarHBondContact O-N 2.79Å; H172-D175 WeakPolarHBondContact O-CB 3.35Å; H172-D175 PolarHBondContact O-N 2.95Å; H172-C178 PolarHBondContact CD2-SG 2.79Å; H172-C178 WeakPolarHBondContact O-CB 3.26Å; H172-C178 PolarHBondContact O-SG 3.49Å
173	L	93.8	Very high	90.9	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-21	174.3	-68.8	-179.9	0	0	0	113.2	K169 I170 E171 C183 N186 A187 F314 L317 I321	K169-L173 WeakPolarHBondContact O-CG 3.4Å; K169-L173 PolarHBondContact O-N 2.95Å; K169-L173 VanDerWaalsContact O-N 3.1Å; I170-L173 WeakPolarHBondContact O-CB 3.15Å; I170-L173 PolarHBondContact O-N 3.22Å; E171-L173 VanDerWaalsContact C-N 3.31Å; E171-L173 PolarHBondContact O-N 3.04Å; L173-C183 VanDerWaalsContact CD2-SG 3.59Å; L173-N186 WeakPolarHBondContact O-CB 3.47Å; L173-A187 WeakPolarHBondContact O-CB 3.34Å; L173-A187 PolarHBondContact O-N 2.9Å; L173-F314 HydrophobicContact CD1-CD2 3.87Å; L173-F314 HydrophobicContact CD1-CE2 3.6Å; L173-F314 HydrophobicContact CD1-CZ 4.43Å; L173-F314 HydrophobicContact CG-CE2 4.08Å; L173-L317 HydrophobicContact CB-CD2 4.25Å; L173-L317 HydrophobicContact CD1-CD2 3.94Å; L173-L317 HydrophobicContact CD1-CG 4.16Å; L173-I321 HydrophobicContact CD1-CD1 4.26Å; L173-I321 HydrophobicContact CD2-CD1 4.16Å
174	F	94.9	Very high	90.8	Very high	49 Å²	49	51.9 Å²	51.9	22%	0.215	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.8	174.7	-74.6	-83.8	0	0	0	113.7	I170 E171 H172 P176 A187 A188 C296 L300 L317	I170-F174 HydrophobicContact CG2-CD2 4.34Å; I170-F174 HydrophobicContact CG2-CE2 4.01Å; I170-F174 WeakPolarHBondContact O-CD2 3.38Å; I170-F174 PolarHBondContact O-N 3.49Å; E171-F174 PolarHBondContact O-N 2.8Å; H172-F174 PolarHBondContact O-N 2.79Å; F174-P176 WeakPolarHBondContact O-CD 3.37Å; F174-A187 HydrophobicContact CD1-CB 3.77Å; F174-A187 VanDerWaalsContact CD1-O 3.27Å; F174-A187 WeakPolarHBondContact CD1-O 3.36Å; F174-A187 HydrophobicContact CD2-CB 4.43Å; F174-A187 HydrophobicContact CE1-CB 3.65Å; F174-A187 WeakPolarHBondContact CE1-O 3.17Å; F174-A187 HydrophobicContact CE2-CB 4.32Å; F174-A187 HydrophobicContact CG-CB 4.17Å; F174-A187 HydrophobicContact CZ-CB 3.94Å; F174-A188 WeakPolarHBondContact O-CA 3.31Å; F174-A188 WeakPolarHBondContact O-CB 3.18Å; F174-C296 HydrophobicContact CE1-CB 4.18Å; F174-C296 HydrophobicContact CZ-CB 4.37Å; F174-L300 HydrophobicContact CE2-CD1 3.8Å; F174-L300 HydrophobicContact CZ-CD1 4.09Å; F174-L317 HydrophobicContact CD2-CD2 4.38Å; F174-L317 HydrophobicContact CE2-CD2 3.56Å; F174-L317 HydrophobicContact CZ-CD1 4.41Å; F174-L317 HydrophobicContact CZ-CD2 4Å
175	D	92.3	Very high	90.9	Very high	58 Å²	58	49.3 Å²	49.3	31%	0.31	26%	0.264	S	S	.	.			trans	-70.2	122.7	171.2	-177.9	-3.5	0	0	0	109.9	H172 Q177 C178	H172-D175 WeakPolarHBondContact O-CB 3.35Å; H172-D175 PolarHBondContact O-N 2.95Å; D175-Q177 PolarHBondContact O-N 3.46Å; D175-Q177 VanDerWaalsContact O-N 3.11Å; D175-Q177 PolarHBondContact OD1-N 3.41Å; D175-C178 HydrophobicContact CB-CB 3.93Å; D175-C178 WeakPolarHBondContact O-CB 3.19Å; D175-C178 PolarHBondContact O-N 3.19Å
176	P	90.2	Very high	90.9	Very high	64 Å²	64	50.9 Å²	50.9	42%	0.416	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.7	175.2	-22.7	30.9	0	0	0	114.4	F174 N186 A188	F174-P176 WeakPolarHBondContact O-CD 3.37Å; P176-N186 PolarHBondContact O-ND2 2.08Å; P176-A188 HydrophobicContact CB-CB 4.13Å; P176-A188 HydrophobicContact CG-CB 3.82Å
177	Q	88.1	Confident	90.9	Very high	169 Å²	169	50.9 Å²	50.9	79%	0.79	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.5	179.3	-57.7	-174.2	15.7	0	0	113	D175 T179	D175-Q177 PolarHBondContact O-N 3.46Å; D175-Q177 VanDerWaalsContact O-N 3.11Å; D175-Q177 PolarHBondContact OD1-N 3.41Å; Q177-T179 PolarHBondContact O-N 3.41Å; Q177-T179 VanDerWaalsContact O-N 3.09Å
178	C	84.3	Confident	90.8	Very high	9 Å²	9	50 Å²	50	6%	0.061	27%	0.272	C	S	.	.			trans	-68.2	111.2	177.4	172.1	0	0	0	0	109.7	H172 D175 N186	H172-C178 PolarHBondContact CD2-SG 2.79Å; H172-C178 WeakPolarHBondContact O-CB 3.26Å; H172-C178 PolarHBondContact O-SG 3.49Å; D175-C178 HydrophobicContact CB-CB 3.93Å; D175-C178 WeakPolarHBondContact O-CB 3.19Å; D175-C178 PolarHBondContact O-N 3.19Å; C178-N186 WeakPolarHBondContact O-CB 3.24Å; C178-N186 PolarHBondContact O-ND2 3.17Å
179	T	86.1	Confident	90.7	Very high	97 Å²	97	55 Å²	55	60%	0.595	29%	0.291	S	S	*	.			trans	-144.8	137.8	165.7	-172	0	0	0	0	107.8	Q177 P184	Q177-T179 PolarHBondContact O-N 3.41Å; Q177-T179 VanDerWaalsContact O-N 3.09Å; T179-P184 PolarHBondContact OG1-O 2.91Å
180	S	85.9	Confident	90.7	Very high	54 Å²	54	54.2 Å²	54.2	38%	0.378	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-141.2	163.6	178.8	68.6	0	0	0	0	110.2	Y182 C183	S180-Y182 PolarHBondContact O-N 2.78Å; S180-Y182 VanDerWaalsContact O-N 3.15Å; S180-C183 PolarHBondContact N-O 2.84Å; S180-C183 CarbonylContact O-C 3.54Å; S180-C183 PolarHBondContact O-N 3.24Å; S180-C183 PolarHBondContact OG-N 3.29Å; S180-C183 VanDerWaalsContact OG-N 3.14Å
181	S	86.6	Confident	90.7	Very high	87 Å²	87	55.3 Å²	55.3	61%	0.608	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-37.6	176.2	-157	0	0	0	0	111.9	P470	S181-P470 WeakPolarHBondContact O-CG 3.46Å; S181-P470 WeakPolarHBondContact OG-CG 3.26Å
182	Y	86.7	Confident	90.7	Very high	104 Å²	104	56.6 Å²	56.6	41%	0.408	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.8	-179	-53.1	-85.7	0	0	0	114.3	S180 W318 P470 L474	S180-Y182 PolarHBondContact O-N 2.78Å; S180-Y182 VanDerWaalsContact O-N 3.15Å; Y182-W318 PolarHBondContact O-NE1 3.36Å; Y182-P470 HydrophobicContact CD1-CB 3.4Å; Y182-P470 HydrophobicContact CD1-CG 4.49Å; Y182-P470 HydrophobicContact CE1-CB 3.6Å; Y182-P470 HydrophobicContact CG-CB 4.16Å; Y182-L474 HydrophobicContact CD1-CD1 3.8Å; Y182-L474 HydrophobicContact CD1-CG 4.44Å; Y182-L474 HydrophobicContact CG-CD1 4.17Å
183	C	89	Confident	90.4	Very high	4 Å²	4	53 Å²	53	3%	0.027	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-149.8	79.1	-178.2	-166.3	0	0	0	0	108.6	L173 S180 N185 N322	L173-C183 VanDerWaalsContact CD2-SG 3.59Å; S180-C183 PolarHBondContact N-O 2.84Å; S180-C183 CarbonylContact O-C 3.54Å; S180-C183 PolarHBondContact O-N 3.24Å; S180-C183 PolarHBondContact OG-N 3.29Å; S180-C183 VanDerWaalsContact OG-N 3.14Å; C183-N185 PolarHBondContact O-N 2.96Å; C183-N185 PolarHBondContact SG-O 3.21Å; C183-N322 PolarHBondContact SG-ND2 3.41Å; C183-N322 VanDerWaalsContact SG-ND2 3.38Å
184	P	89.2	Confident	90.1	Very high	64 Å²	64	57.9 Å²	57.9	42%	0.416	30%	0.301	S	S	.	.			trans	-65.4	-26.9	-177	23.3	-35.4	0	0	0	113.2	T179 N322 V471	T179-P184 PolarHBondContact OG1-O 2.91Å; P184-N322 VanDerWaalsContact CD-OD1 3.27Å; P184-N322 WeakPolarHBondContact CD-OD1 3.22Å; P184-V471 VanDerWaalsContact CD-CG2 3.49Å; P184-V471 HydrophobicContact CG-CG2 4.09Å
185	N	92.4	Very high	89.5	Confident	30 Å²	30	58.9 Å²	58.9	16%	0.16	31%	0.306	C	S	.	.	S	Bend	trans	-104.6	152.7	179.5	-62	-44.9	0	0	0	111.5	C183 I321	C183-N185 PolarHBondContact O-N 2.96Å; C183-N185 PolarHBondContact SG-O 3.21Å; N185-I321 WeakPolarHBondContact CB-O 3.28Å; N185-I321 PolarHBondContact ND2-O 3.03Å
186	N	92.7	Very high	89.1	Confident	33 Å²	33	57 Å²	57	18%	0.176	30%	0.297	C	S	.	.			trans	-115.2	164.5	170.8	56.7	60.5	0	0	0	112.1	L173 P176 C178 A188 T201	L173-N186 WeakPolarHBondContact O-CB 3.47Å; P176-N186 PolarHBondContact O-ND2 2.08Å; C178-N186 WeakPolarHBondContact O-CB 3.24Å; C178-N186 PolarHBondContact O-ND2 3.17Å; N186-A188 WeakPolarHBondContact OD1-CB 3.42Å; N186-A188 PolarHBondContact OD1-N 3.31Å; N186-T201 WeakPolarHBondContact O-CG2 3.45Å
187	A	93.8	Very high	89.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-93.1	5.4	-179.5	0	0	0	0	0	113.5	L173 F174 Y189 L190 L317 I321	L173-A187 WeakPolarHBondContact O-CB 3.34Å; L173-A187 PolarHBondContact O-N 2.9Å; F174-A187 HydrophobicContact CD1-CB 3.77Å; F174-A187 VanDerWaalsContact CD1-O 3.27Å; F174-A187 WeakPolarHBondContact CD1-O 3.36Å; F174-A187 HydrophobicContact CD2-CB 4.43Å; F174-A187 HydrophobicContact CE1-CB 3.65Å; F174-A187 WeakPolarHBondContact CE1-O 3.17Å; F174-A187 HydrophobicContact CE2-CB 4.32Å; F174-A187 HydrophobicContact CG-CB 4.17Å; F174-A187 HydrophobicContact CZ-CB 3.94Å; A187-Y189 PolarHBondContact O-N 3.03Å; A187-Y189 VanDerWaalsContact O-N 3.08Å; A187-L190 HydrophobicContact CB-CB 4.4Å; A187-L190 VanDerWaalsContact O-CB 3.23Å; A187-L190 WeakPolarHBondContact O-CB 3.46Å; A187-L190 PolarHBondContact O-N 3.48Å; A187-L317 HydrophobicContact CB-CD1 4.07Å; A187-L317 HydrophobicContact CB-CD2 4.34Å; A187-L317 HydrophobicContact CB-CG 4.46Å; A187-I321 HydrophobicContact CB-CD1 4.42Å; A187-I321 HydrophobicContact CB-CG2 4.05Å
188	A	91.4	Very high	89.2	Confident	29 Å²	29	50.5 Å²	50.5	24%	0.24	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-35	-174	0	0	0	0	0	113.9	F174 P176 N186	F174-A188 WeakPolarHBondContact O-CA 3.31Å; F174-A188 WeakPolarHBondContact O-CB 3.18Å; P176-A188 HydrophobicContact CB-CB 4.13Å; P176-A188 HydrophobicContact CG-CB 3.82Å; N186-A188 WeakPolarHBondContact OD1-CB 3.42Å; N186-A188 PolarHBondContact OD1-N 3.31Å
189	Y	91.7	Very high	89.7	Confident	139 Å²	139	51.5 Å²	51.5	55%	0.545	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	40	177.7	-54.9	-71	0	0	0	111.6	A187	A187-Y189 PolarHBondContact O-N 3.03Å; A187-Y189 VanDerWaalsContact O-N 3.08Å
190	L	94.6	Very high	90.1	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.068	25%	0.248	C	C	.	.			trans	-67.5	132.6	173.8	-175	71.2	0	0	0	110.1	A187 L199 T201 L299 L317 T320 I321	A187-L190 HydrophobicContact CB-CB 4.4Å; A187-L190 VanDerWaalsContact O-CB 3.23Å; A187-L190 WeakPolarHBondContact O-CB 3.46Å; A187-L190 PolarHBondContact O-N 3.48Å; L190-L199 HydrophobicContact CD1-CB 4.47Å; L190-T201 HydrophobicContact CD1-CG2 4.14Å; L190-L299 HydrophobicContact CD2-CD2 4.25Å; L190-L317 HydrophobicContact CD2-CD1 3.93Å; L190-T320 HydrophobicContact CD1-CG2 4.26Å; L190-I321 HydrophobicContact CD1-CG2 4.31Å
191	F	93.4	Very high	90.4	Very high	27 Å²	27	44.5 Å²	44.5	12%	0.118	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	158.6	175.8	70	-88.2	0	0	0	111.2	C193 L199 L200 H227 P229	F191-C193 HydrophobicContact CE2-CB 4.25Å; F191-L199 WeakPolarHBondContact O-CA 3.47Å; F191-L200 VanDerWaalsContact CD1-O 3.24Å; F191-L200 WeakPolarHBondContact CD1-O 3.3Å; F191-L200 HydrophobicContact CE1-CB 4.24Å; F191-L200 HydrophobicContact CZ-CB 4.07Å; F191-L200 PolarHBondContact N-O 2.73Å; F191-L200 PolarHBondContact O-N 3.07Å; F191-H227 HydrophobicContact CE2-CB 4.03Å; F191-H227 HydrophobicContact CZ-CB 4.07Å; F191-P229 HydrophobicContact CB-CB 4.2Å; F191-P229 HydrophobicContact CD2-CB 3.71Å; F191-P229 HydrophobicContact CD2-CG 3.84Å; F191-P229 HydrophobicContact CE2-CB 4.3Å; F191-P229 HydrophobicContact CE2-CG 3.97Å; F191-P229 HydrophobicContact CG-CB 4.04Å; F191-P229 HydrophobicContact CG-CG 4.16Å; F191-P229 HydrophobicContact CZ-CG 4.42Å
192	R	94	Very high	90.5	Very high	75 Å²	75	48.5 Å²	48.5	28%	0.283	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.3	167.4	-172.2	176.3	-70.1	176.5	-2.2	109.9	G197 K198 L199 M230 F294	R192-G197 WeakPolarHBondContact CG-O 3.16Å; R192-K198 WeakPolarHBondContact CA-O 3.26Å; R192-L199 HydrophobicContact CB-CD2 3.98Å; R192-L199 HydrophobicContact CG-CD2 4.47Å; R192-M230 HydrophobicContact CB-CE 4.32Å; R192-M230 HydrophobicContact CG-CE 4.49Å; R192-M230 WeakPolarHBondContact O-CB 3.49Å; R192-M230 PolarHBondContact O-N 3.02Å; R192-F294 HydrophobicContact CB-CB 4.37Å; R192-F294 HydrophobicContact CB-CD1 4.42Å; R192-F294 HydrophobicContact CB-CD2 3.52Å; R192-F294 HydrophobicContact CB-CE2 3.88Å; R192-F294 HydrophobicContact CB-CG 3.83Å; R192-F294 HydrophobicContact CB-CZ 4.46Å
193	C	88	Confident	90.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-75.4	126.3	177.1	179.8	0	0	0	0	111	F191 K195 C196 G197 K198 H227 D228	F191-C193 HydrophobicContact CE2-CB 4.25Å; C193-K195 PolarHBondContact O-N 3.2Å; C193-K195 PolarHBondContact SG-N 3.12Å; C193-C196 VanDerWaalsContact CB-SG 3.53Å; C193-G197 WeakPolarHBondContact O-CA 3.22Å; C193-G197 PolarHBondContact O-N 2.89Å; C193-K198 PolarHBondContact N-O 3.15Å; C193-H227 HydrophobicContact CB-CB 4.25Å; C193-H227 PolarHBondContact SG-ND1 2.85Å; C193-H227 VanDerWaalsContact SG-ND1 3.41Å; C193-D228 CarbonylContact C-O 3.55Å; C193-D228 VanDerWaalsContact CA-O 3.29Å; C193-D228 WeakPolarHBondContact CA-O 3.38Å
194	Q	86.3	Confident	90.9	Very high	109 Å²	109	48.1 Å²	48.1	51%	0.509	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.5	177.5	-172.7	62.8	39.2	0	0	113	D228 M230	Q194-D228 PolarHBondContact N-O 2.9Å; Q194-M230 PolarHBondContact OE1-SD 2.93Å; Q194-M230 VanDerWaalsContact OE1-SD 3.36Å
195	K	82.6	Confident	90.9	Very high	70 Å²	70	45.9 Å²	45.9	30%	0.304	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-45.7	-173.8	-56.5	-56.7	-179.2	-173.7	0	113.4	C193 L211 D228	C193-K195 PolarHBondContact O-N 3.2Å; C193-K195 PolarHBondContact SG-N 3.12Å; K195-L211 HydrophobicContact CB-CD1 4.37Å; K195-D228 WeakPolarHBondContact CE-OD2 3.02Å; K195-D228 HydrophobicContact CG-CB 4.21Å
196	C	84.6	Confident	90.8	Very high	20 Å²	20	49.3 Å²	49.3	14%	0.135	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-8.5	-178.7	69.6	0	0	0	0	113.9	C193 K198 H227	C193-C196 VanDerWaalsContact CB-SG 3.53Å; C196-K198 HydrophobicContact CB-CG 4.38Å; C196-K198 PolarHBondContact O-N 3.35Å; C196-K198 VanDerWaalsContact O-N 3.14Å; C196-H227 PolarHBondContact SG-ND1 3.5Å
197	G	89.2	Confident	90.6	Very high	42 Å²	42	51.2 Å²	51.2	43%	0.433	25%	0.25	S	S	.	.			trans	74	-7.6	-178	0	0	0	0	0	115.2	R192 C193	R192-G197 WeakPolarHBondContact CG-O 3.16Å; C193-G197 WeakPolarHBondContact O-CA 3.22Å; C193-G197 PolarHBondContact O-N 2.89Å
198	K	91.3	Very high	90.5	Very high	53 Å²	53	51.4 Å²	51.4	23%	0.23	25%	0.251	C	S	.	.			trans	-66.3	144.5	-178	-63	-171.9	177.7	-152	0	112.2	R192 C193 C196 L200 I208 E337	R192-K198 WeakPolarHBondContact CA-O 3.26Å; C193-K198 PolarHBondContact N-O 3.15Å; C196-K198 HydrophobicContact CB-CG 4.38Å; C196-K198 PolarHBondContact O-N 3.35Å; C196-K198 VanDerWaalsContact O-N 3.14Å; K198-L200 HydrophobicContact CB-CD1 4.1Å; K198-L200 HydrophobicContact CB-CD2 4.1Å; K198-L200 HydrophobicContact CB-CG 3.93Å; K198-I208 HydrophobicContact CD-CG2 4.35Å; K198-E337 WeakPolarHBondContact CD-OE1 3.43Å; K198-E337 VanDerWaalsContact CE-OE1 3.28Å; K198-E337 WeakPolarHBondContact CE-OE1 3.34Å; K198-E337 IonicContact NZ-OE1 2.77Å; K198-E337 PolarHBondContact NZ-OE1 3.23Å; K198-E337 IonicContact NZ-OE2 3.81Å; K198-E337 PolarHBondContact NZ-OE2 3.25Å
199	L	95.1	Very high	90.3	Very high	30 Å²	30	52.2 Å²	52.2	16%	0.157	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.6	167.7	-72.7	165.4	0	0	0	109.1	L190 F191 R192 F294 L299 W303 T320	L190-L199 HydrophobicContact CD1-CB 4.47Å; F191-L199 WeakPolarHBondContact O-CA 3.47Å; R192-L199 HydrophobicContact CB-CD2 3.98Å; R192-L199 HydrophobicContact CG-CD2 4.47Å; L199-F294 HydrophobicContact CD2-CE2 3.5Å; L199-F294 HydrophobicContact CD2-CZ 3.52Å; L199-L299 HydrophobicContact CD1-CD1 4.01Å; L199-L299 HydrophobicContact CD1-CD2 3.73Å; L199-L299 HydrophobicContact CD2-CD2 3.8Å; L199-L299 HydrophobicContact CG-CD2 4.44Å; L199-W303 HydrophobicContact CD1-CH2 4.04Å; L199-W303 HydrophobicContact CD1-CZ2 3.61Å; L199-T320 HydrophobicContact CB-CG2 3.65Å
200	L	93.8	Very high	89.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.2	-171.8	-57.3	168.4	0	0	0	109.9	F191 K198 I204 I208 H227	F191-L200 VanDerWaalsContact CD1-O 3.24Å; F191-L200 WeakPolarHBondContact CD1-O 3.3Å; F191-L200 HydrophobicContact CE1-CB 4.24Å; F191-L200 HydrophobicContact CZ-CB 4.07Å; F191-L200 PolarHBondContact N-O 2.73Å; F191-L200 PolarHBondContact O-N 3.07Å; K198-L200 HydrophobicContact CB-CD1 4.1Å; K198-L200 HydrophobicContact CB-CD2 4.1Å; K198-L200 HydrophobicContact CB-CG 3.93Å; L200-I204 HydrophobicContact CD2-CG2 3.79Å; L200-I208 HydrophobicContact CD2-CB 4.36Å; L200-I208 HydrophobicContact CD2-CG2 4.32Å; L200-H227 HydrophobicContact CD1-CB 4.44Å; L200-H227 WeakPolarHBondContact CD1-CE1 3.39Å; L200-H227 WeakPolarHBondContact CD1-ND1 3.5Å
201	T	92.9	Very high	89.1	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.025	24%	0.243	C	C	.	.			trans	-98.2	165.4	166.6	70.6	0	0	0	0	109.5	N186 L190 N203 I204 S205 I321	N186-T201 WeakPolarHBondContact O-CG2 3.45Å; L190-T201 HydrophobicContact CD1-CG2 4.14Å; T201-N203 PolarHBondContact O-N 2.86Å; T201-I204 HydrophobicContact CG2-CD1 3.98Å; T201-I204 PolarHBondContact O-N 2.88Å; T201-I204 VanDerWaalsContact O-N 3.15Å; T201-I204 VanDerWaalsContact OG1-CD1 3.26Å; T201-I204 WeakPolarHBondContact OG1-CD1 3.44Å; T201-I204 WeakPolarHBondContact OG1-CG1 3.4Å; T201-I204 PolarHBondContact OG1-N 2.9Å; T201-S205 WeakPolarHBondContact O-CB 3.37Å; T201-S205 PolarHBondContact O-N 2.75Å; T201-S205 PolarHBondContact O-OG 2.8Å; T201-I321 HydrophobicContact CG2-CB 4.12Å; T201-I321 HydrophobicContact CG2-CG2 3.71Å
202	R	88.4	Confident	88.1	Confident	171 Å²	171	49.4 Å²	49.4	65%	0.645	25%	0.253	S	S	*	.	H	α-helix	trans	-52.6	-39.6	175.5	-169.4	-178.2	-164.6	-175.1	5.4	113.4	S205	R202-S205 PolarHBondContact O-OG 3.44Å; R202-S205 VanDerWaalsContact O-OG 3.04Å
203	N	90.2	Very high	86.9	Confident	99 Å²	99	48.7 Å²	48.7	53%	0.529	26%	0.255	S	S	.	.	H	α-helix	trans	-75.8	-33.9	-178	-67.3	39.7	0	0	0	111.7	T201 I206	T201-N203 PolarHBondContact O-N 2.86Å; N203-I206 WeakPolarHBondContact O-CG1 3.35Å
204	I	93	Very high	86.5	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-77.8	-34.2	-179.8	-65.9	168	0	0	0	111.3	L200 T201 I206 I207 I208 I321 L323	L200-I204 HydrophobicContact CD2-CG2 3.79Å; T201-I204 HydrophobicContact CG2-CD1 3.98Å; T201-I204 PolarHBondContact O-N 2.88Å; T201-I204 VanDerWaalsContact O-N 3.15Å; T201-I204 VanDerWaalsContact OG1-CD1 3.26Å; T201-I204 WeakPolarHBondContact OG1-CD1 3.44Å; T201-I204 WeakPolarHBondContact OG1-CG1 3.4Å; T201-I204 PolarHBondContact OG1-N 2.9Å; I204-I206 PolarHBondContact O-N 3.14Å; I204-I207 PolarHBondContact O-N 2.85Å; I204-I208 HydrophobicContact CG2-CB 4.23Å; I204-I208 HydrophobicContact CG2-CG1 3.48Å; I204-I208 VanDerWaalsContact CG2-CG1 3.48Å; I204-I208 PolarHBondContact O-N 2.91Å; I204-I321 VanDerWaalsContact CD1-C 3.45Å; I204-I321 HydrophobicContact CD1-CB 4.47Å; I204-I321 WeakPolarHBondContact CD1-O 3.31Å; I204-L323 HydrophobicContact CD1-CD2 4.41Å; I204-L323 HydrophobicContact CG1-CD1 4.27Å; I204-L323 HydrophobicContact CG1-CD2 4.19Å; I204-L323 HydrophobicContact CG1-CG 4.19Å; I204-L323 HydrophobicContact CG2-CD1 4.43Å; I204-L323 HydrophobicContact CG2-CD2 3.84Å
205	S	90.6	Very high	86	Confident	16 Å²	16	48.3 Å²	48.3	11%	0.112	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-24.7	-175	69.4	0	0	0	0	113.6	T201 R202 I207 H227	T201-S205 WeakPolarHBondContact O-CB 3.37Å; T201-S205 PolarHBondContact O-N 2.75Å; T201-S205 PolarHBondContact O-OG 2.8Å; R202-S205 PolarHBondContact O-OG 3.44Å; R202-S205 VanDerWaalsContact O-OG 3.04Å; S205-I207 VanDerWaalsContact C-N 3.32Å; S205-H227 PolarHBondContact O-CD2 3.35Å
206	I	88.4	Confident	85.7	Confident	102 Å²	102	49.7 Å²	49.7	52%	0.523	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.7	174.5	62.2	165.7	0	0	0	113.7	N203 I204 I224 P225	N203-I206 WeakPolarHBondContact O-CG1 3.35Å; I204-I206 PolarHBondContact O-N 3.14Å; I206-I224 HydrophobicContact CB-CG2 4.07Å; I206-I224 HydrophobicContact CG2-CG2 4.07Å; I206-P225 VanDerWaalsContact O-CD 3.27Å; I206-P225 WeakPolarHBondContact O-CD 3.39Å
207	I	90.4	Very high	85.2	Confident	74 Å²	74	54.1 Å²	54.1	38%	0.379	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-47.9	-179.8	-60.8	173.8	0	0	0	110	I204 S205 L323 Q332	I204-I207 PolarHBondContact O-N 2.85Å; S205-I207 VanDerWaalsContact C-N 3.32Å; I207-L323 HydrophobicContact CB-CD1 4.27Å; I207-L323 HydrophobicContact CD1-CD1 3.75Å; I207-L323 HydrophobicContact CG2-CD1 3.98Å; I207-Q332 HydrophobicContact CG2-CB 4.1Å
208	I	90.9	Very high	84.3	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	27%	0.269	C	S	.	.	S	Bend	trans	-84.6	127.3	-172.4	-59.7	-55.9	0	0	0	110.3	K198 L200 I204 P225 H227 L323 Q332 P334	K198-I208 HydrophobicContact CD-CG2 4.35Å; L200-I208 HydrophobicContact CD2-CB 4.36Å; L200-I208 HydrophobicContact CD2-CG2 4.32Å; I204-I208 HydrophobicContact CG2-CB 4.23Å; I204-I208 HydrophobicContact CG2-CG1 3.48Å; I204-I208 VanDerWaalsContact CG2-CG1 3.48Å; I204-I208 PolarHBondContact O-N 2.91Å; I208-P225 VanDerWaalsContact O-CB 3.3Å; I208-P225 WeakPolarHBondContact O-CB 3.42Å; I208-P225 WeakPolarHBondContact O-CG 3.36Å; I208-H227 PolarHBondContact O-NE2 3.15Å; I208-L323 HydrophobicContact CD1-CD1 4.48Å; I208-L323 HydrophobicContact CD1-CD2 4.02Å; I208-L323 HydrophobicContact CG1-CD2 4.1Å; I208-Q332 HydrophobicContact CD1-CB 4.49Å; I208-Q332 VanDerWaalsContact CD1-O 3.26Å; I208-Q332 WeakPolarHBondContact CD1-O 3.12Å; I208-P334 HydrophobicContact CD1-CG 4.39Å; I208-P334 HydrophobicContact CG1-CG 4.1Å; I208-P334 HydrophobicContact CG2-CG 4.48Å
209	P	86	Confident	83.3	Confident	47 Å²	47	61 Å²	61	31%	0.305	31%	0.306	S	S	.	.			trans	-63.8	141.7	179.3	25	-32.5	0	0	0	111.6
210	C	82.5	Confident	82.2	Confident	13 Å²	13	63.7 Å²	63.7	9%	0.088	33%	0.327	C	S	.	.			trans	-82.8	-81.8	173.8	-173.5	0	0	0	0	110.7	R214 V226 H227	C210-R214 HydrophobicContact CB-CB 4.14Å; C210-V226 WeakPolarHBondContact CB-O 3.06Å; C210-H227 WeakPolarHBondContact CA-CE1 3.27Å; C210-H227 WeakPolarHBondContact CB-CE1 3.23Å; C210-H227 WeakPolarHBondContact CB-ND1 3.5Å; C210-H227 PolarHBondContact SG-ND1 3.47Å; C210-H227 VanDerWaalsContact SG-ND1 3.41Å
211	L	80.2	Confident	81.2	Confident	56 Å²	56	66.2 Å²	66.2	29%	0.293	35%	0.353	S	S	.	.	S	Bend	trans	-126.3	158.1	171.3	-63.7	174.3	0	0	0	107.5	K195 N213 R214	K195-L211 HydrophobicContact CB-CD1 4.37Å; L211-N213 PolarHBondContact O-N 2.93Å; L211-R214 HydrophobicContact CB-CG 4.26Å; L211-R214 PolarHBondContact O-N 2.96Å
212	P	71.2	Confident	80.3	Confident	51 Å²	51	70.9 Å²	70.9	33%	0.331	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-24.8	-174.9	-29.8	35.7	0	0	0	115.7	F215 I514 I519	P212-F215 WeakPolarHBondContact O-CE1 3.37Å; P212-I514 HydrophobicContact CG-CD1 4.18Å; P212-I514 HydrophobicContact CG-CG1 4.33Å; P212-I519 HydrophobicContact CB-CD1 4.32Å
213	N	68.9	Low	79.6	Confident	60 Å²	60	65.3 Å²	65.3	32%	0.321	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	10.2	-176.4	-64.7	-39.8	0	0	0	114.2	L211 N522	L211-N213 PolarHBondContact O-N 2.93Å; N213-N522 VanDerWaalsContact CG-ND2 3.3Å; N213-N522 PolarHBondContact ND2-ND2 3.09Å; N213-N522 PolarHBondContact OD1-ND2 2.93Å
214	R	79.6	Confident	79.1	Confident	47 Å²	47	63 Å²	63	18%	0.177	35%	0.347	C	S	.	.			trans	-110.9	80.9	-177	-70.6	-159.7	73	91.4	-4.9	111.6	C210 L211 P225 V226 D228	C210-R214 HydrophobicContact CB-CB 4.14Å; L211-R214 HydrophobicContact CB-CG 4.26Å; L211-R214 PolarHBondContact O-N 2.96Å; R214-P225 WeakPolarHBondContact O-CA 3.36Å; R214-V226 PolarHBondContact NE-O 2.91Å; R214-V226 PolarHBondContact O-N 3.09Å; R214-D228 IonicContact CZ-OD1 3.68Å; R214-D228 IonicContact CZ-OD2 2.82Å; R214-D228 IonicContact NH1-OD2 2.65Å; R214-D228 IonicContact NH2-OD1 2.91Å; R214-D228 PolarHBondContact NH2-OD1 3.11Å; R214-D228 IonicContact NH2-OD2 2.87Å; R214-D228 PolarHBondContact NH2-OD2 3.25Å
215	F	77.2	Confident	78.6	Confident	55 Å²	55	63.9 Å²	63.9	24%	0.241	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.4	177.5	53.1	-98.8	0	0	0	110.4	P212 M223 I224 F450	P212-F215 WeakPolarHBondContact O-CE1 3.37Å; F215-M223 HydrophobicContact CB-CE 4.09Å; F215-M223 HydrophobicContact CD1-CE 3.51Å; F215-M223 HydrophobicContact CD2-CE 3.28Å; F215-M223 HydrophobicContact CD2-SD 3.43Å; F215-M223 WeakPolarHBondContact CD2-SD 3.38Å; F215-M223 HydrophobicContact CE1-CE 3.7Å; F215-M223 HydrophobicContact CE2-CE 3.52Å; F215-M223 HydrophobicContact CE2-SD 3.77Å; F215-M223 HydrophobicContact CG-CE 3.31Å; F215-M223 HydrophobicContact CG-SD 3.98Å; F215-M223 HydrophobicContact CZ-CE 3.74Å; F215-I224 CarbonylContact C-O 3.42Å; F215-I224 WeakPolarHBondContact CA-O 3.42Å; F215-I224 WeakPolarHBondContact CB-O 3.34Å; F215-F450 AromaticContact CE1-CD1 3.81Å; F215-F450 HydrophobicContact CE1-CD1 3.81Å; F215-F450 HydrophobicContact CE1-CE1 4.23Å; F215-F450 AromaticContact CE2-CD1 3.72Å; F215-F450 HydrophobicContact CE2-CD1 3.72Å; F215-F450 AromaticContact CE2-CE1 3.38Å; F215-F450 HydrophobicContact CE2-CE1 3.38Å; F215-F450 HydrophobicContact CE2-CZ 4.48Å; F215-F450 AromaticContact CZ-CD1 3.19Å; F215-F450 HydrophobicContact CZ-CD1 3.19Å; F215-F450 AromaticContact CZ-CE1 3.17Å; F215-F450 HydrophobicContact CZ-CE1 3.17Å; F215-F450 HydrophobicContact CZ-CG 4.25Å; F215-F450 HydrophobicContact CZ-CZ 4.19Å
216	I	74.5	Confident	78.1	Confident	98 Å²	98	65.1 Å²	65.1	50%	0.503	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.9	166.1	56.4	175.5	0	0	0	108.8	I224 V226	I216-I224 HydrophobicContact CG1-CB 3.89Å; I216-I224 HydrophobicContact CG1-CG2 4.42Å; I216-I224 PolarHBondContact N-O 2.95Å; I216-I224 PolarHBondContact O-N 2.87Å; I216-V226 HydrophobicContact CB-CG2 4.35Å; I216-V226 HydrophobicContact CD1-CG2 4.47Å; I216-V226 HydrophobicContact CG1-CG2 4.02Å; I216-V226 HydrophobicContact CG2-CG2 3.8Å
217	I	75.6	Confident	78	Confident	114 Å²	114	61.1 Å²	61.1	59%	0.585	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	121	174.2	-57.6	174.5	0	0	0	107.3	N222 M223	I217-N222 CarbonylContact C-O 3.58Å; I217-N222 WeakPolarHBondContact CA-O 3.36Å; I217-M223 HydrophobicContact CG1-SD 4Å
218	S	69.2	Low	77.8	Confident	26 Å²	26	59.9 Å²	59.9	18%	0.182	33%	0.333	C	S	.	.			trans	-67.7	167.1	175.5	78.3	0	0	0	0	111.2	S220 G221 N222	S218-S220 PolarHBondContact O-N 2.9Å; S218-S220 VanDerWaalsContact O-N 3.14Å; S218-S220 PolarHBondContact OG-N 2.97Å; S218-S220 PolarHBondContact OG-OG 2.95Å; S218-G221 PolarHBondContact O-N 3.43Å; S218-G221 PolarHBondContact OG-N 3.28Å; S218-N222 PolarHBondContact N-O 3.38Å; S218-N222 WeakPolarHBondContact OG-CB 3.48Å; S218-N222 PolarHBondContact OG-N 3.41Å; S218-N222 PolarHBondContact OG-O 3.49Å
219	Q	71.3	Confident	77.6	Confident	213 Å²	213	63.7 Å²	63.7	100%	0.995	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.5	173	-64.4	177.6	2.7	0	0	113.2	G221	Q219-G221 VanDerWaalsContact C-N 3.31Å
220	S	72.4	Confident	77.6	Confident	87 Å²	87	62.6 Å²	62.6	61%	0.608	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	2.8	175.4	61.6	0	0	0	0	113.7	S218 N222	S218-S220 PolarHBondContact O-N 2.9Å; S218-S220 VanDerWaalsContact O-N 3.14Å; S218-S220 PolarHBondContact OG-N 2.97Å; S218-S220 PolarHBondContact OG-OG 2.95Å; S220-N222 VanDerWaalsContact C-N 3.32Å; S220-N222 PolarHBondContact OG-ND2 2.96Å
221	G	70.9	Confident	77.4	Confident	53 Å²	53	64 Å²	64	55%	0.546	37%	0.365	S	S	.	.	S	Bend	trans	80.1	8.5	-176.6	0	0	0	0	0	114.5	S218 Q219	S218-G221 PolarHBondContact O-N 3.43Å; S218-G221 PolarHBondContact OG-N 3.28Å; Q219-G221 VanDerWaalsContact C-N 3.31Å
222	N	74.2	Confident	76.9	Confident	103 Å²	103	64.7 Å²	64.7	55%	0.551	38%	0.375	S	S	*	.			trans	-80.6	141.7	178.5	-64.8	-32.9	0	0	0	110.8	I217 S218 S220 I224	I217-N222 CarbonylContact C-O 3.58Å; I217-N222 WeakPolarHBondContact CA-O 3.36Å; S218-N222 PolarHBondContact N-O 3.38Å; S218-N222 WeakPolarHBondContact OG-CB 3.48Å; S218-N222 PolarHBondContact OG-N 3.41Å; S218-N222 PolarHBondContact OG-O 3.49Å; S220-N222 VanDerWaalsContact C-N 3.32Å; S220-N222 PolarHBondContact OG-ND2 2.96Å; N222-I224 PolarHBondContact O-N 2.91Å
223	M	74.5	Confident	76.2	Confident	53 Å²	53	66.4 Å²	66.4	26%	0.261	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.1	175	-69.9	-82.6	-74.3	0	0	109.8	F215 I217 F450	F215-M223 HydrophobicContact CB-CE 4.09Å; F215-M223 HydrophobicContact CD1-CE 3.51Å; F215-M223 HydrophobicContact CD2-CE 3.28Å; F215-M223 HydrophobicContact CD2-SD 3.43Å; F215-M223 WeakPolarHBondContact CD2-SD 3.38Å; F215-M223 HydrophobicContact CE1-CE 3.7Å; F215-M223 HydrophobicContact CE2-CE 3.52Å; F215-M223 HydrophobicContact CE2-SD 3.77Å; F215-M223 HydrophobicContact CG-CE 3.31Å; F215-M223 HydrophobicContact CG-SD 3.98Å; F215-M223 HydrophobicContact CZ-CE 3.74Å; I217-M223 HydrophobicContact CG1-SD 4Å; M223-F450 HydrophobicContact CE-CD1 3.54Å; M223-F450 HydrophobicContact CE-CE1 4.17Å; M223-F450 HydrophobicContact SD-CD1 4.29Å; M223-F450 HydrophobicContact SD-CE1 4.42Å
224	I	78.7	Confident	75.3	Confident	51 Å²	51	71.6 Å²	71.6	26%	0.262	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.1	177.8	-58.8	169.6	0	0	0	108.3	I206 F215 I216 N222	I206-I224 HydrophobicContact CB-CG2 4.07Å; I206-I224 HydrophobicContact CG2-CG2 4.07Å; F215-I224 CarbonylContact C-O 3.42Å; F215-I224 WeakPolarHBondContact CA-O 3.42Å; F215-I224 WeakPolarHBondContact CB-O 3.34Å; I216-I224 HydrophobicContact CG1-CB 3.89Å; I216-I224 HydrophobicContact CG1-CG2 4.42Å; I216-I224 PolarHBondContact N-O 2.95Å; I216-I224 PolarHBondContact O-N 2.87Å; N222-I224 PolarHBondContact O-N 2.91Å
225	P	82.4	Confident	73.6	Confident	20 Å²	20	74.5 Å²	74.5	13%	0.13	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	144.6	173	-21.9	33.5	0	0	0	112.5	I206 I208 R214	I206-P225 VanDerWaalsContact O-CD 3.27Å; I206-P225 WeakPolarHBondContact O-CD 3.39Å; I208-P225 VanDerWaalsContact O-CB 3.3Å; I208-P225 WeakPolarHBondContact O-CB 3.42Å; I208-P225 WeakPolarHBondContact O-CG 3.36Å; R214-P225 WeakPolarHBondContact O-CA 3.36Å
226	V	81.8	Confident	71.7	Confident	41 Å²	41	79.8 Å²	79.8	25%	0.248	46%	0.463	C	S	.	.			trans	-117.3	114.9	176.6	-179.4	0	0	0	0	110.2	C210 R214 I216	C210-V226 WeakPolarHBondContact CB-O 3.06Å; R214-V226 PolarHBondContact NE-O 2.91Å; R214-V226 PolarHBondContact O-N 3.09Å; I216-V226 HydrophobicContact CB-CG2 4.35Å; I216-V226 HydrophobicContact CD1-CG2 4.47Å; I216-V226 HydrophobicContact CG1-CG2 4.02Å; I216-V226 HydrophobicContact CG2-CG2 3.8Å
227	H	85.3	Confident	69.8	Low	19 Å²	19	82.8 Å²	82.8	9%	0.088	48%	0.48	C	S	.	.			trans	-107.3	144.3	173.3	-66.3	-94.9	0	0	0	110.1	F191 C193 C196 L200 S205 I208 C210	F191-H227 HydrophobicContact CE2-CB 4.03Å; F191-H227 HydrophobicContact CZ-CB 4.07Å; C193-H227 HydrophobicContact CB-CB 4.25Å; C193-H227 PolarHBondContact SG-ND1 2.85Å; C193-H227 VanDerWaalsContact SG-ND1 3.41Å; C196-H227 PolarHBondContact SG-ND1 3.5Å; L200-H227 HydrophobicContact CD1-CB 4.44Å; L200-H227 WeakPolarHBondContact CD1-CE1 3.39Å; L200-H227 WeakPolarHBondContact CD1-ND1 3.5Å; S205-H227 PolarHBondContact O-CD2 3.35Å; I208-H227 PolarHBondContact O-NE2 3.15Å; C210-H227 WeakPolarHBondContact CA-CE1 3.27Å; C210-H227 WeakPolarHBondContact CB-CE1 3.23Å; C210-H227 WeakPolarHBondContact CB-ND1 3.5Å; C210-H227 PolarHBondContact SG-ND1 3.47Å; C210-H227 VanDerWaalsContact SG-ND1 3.41Å
228	D	85.5	Confident	67.6	Low	48 Å²	48	85 Å²	85	26%	0.257	49%	0.491	S	S	.	.			trans	-105.9	113.7	175.5	-59.5	-12.1	0	0	0	107.6	C193 Q194 K195 R214	C193-D228 CarbonylContact C-O 3.55Å; C193-D228 VanDerWaalsContact CA-O 3.29Å; C193-D228 WeakPolarHBondContact CA-O 3.38Å; Q194-D228 PolarHBondContact N-O 2.9Å; K195-D228 WeakPolarHBondContact CE-OD2 3.02Å; K195-D228 HydrophobicContact CG-CB 4.21Å; R214-D228 IonicContact CZ-OD1 3.68Å; R214-D228 IonicContact CZ-OD2 2.82Å; R214-D228 IonicContact NH1-OD2 2.65Å; R214-D228 IonicContact NH2-OD1 2.91Å; R214-D228 PolarHBondContact NH2-OD1 3.11Å; R214-D228 IonicContact NH2-OD2 2.87Å; R214-D228 PolarHBondContact NH2-OD2 3.25Å
229	P	88.5	Confident	65.6	Low	82 Å²	82	89 Å²	89	53%	0.532	52%	0.519	S	S	.	.	B	Isolated β-bridge	trans	-59.2	136.9	173	-22.9	34	0	0	0	111.5	F191	F191-P229 HydrophobicContact CB-CB 4.2Å; F191-P229 HydrophobicContact CD2-CB 3.71Å; F191-P229 HydrophobicContact CD2-CG 3.84Å; F191-P229 HydrophobicContact CE2-CB 4.3Å; F191-P229 HydrophobicContact CE2-CG 3.97Å; F191-P229 HydrophobicContact CG-CB 4.04Å; F191-P229 HydrophobicContact CG-CG 4.16Å; F191-P229 HydrophobicContact CZ-CG 4.42Å
230	M	85.9	Confident	63.4	Low	24 Å²	24	84.8 Å²	84.8	12%	0.118	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-64.2	145.2	166.9	-174.1	155.4	75.8	0	0	109.2	R192 Q194 H293 F294	R192-M230 HydrophobicContact CB-CE 4.32Å; R192-M230 HydrophobicContact CG-CE 4.49Å; R192-M230 WeakPolarHBondContact O-CB 3.49Å; R192-M230 PolarHBondContact O-N 3.02Å; Q194-M230 PolarHBondContact OE1-SD 2.93Å; Q194-M230 VanDerWaalsContact OE1-SD 3.36Å; M230-H293 WeakPolarHBondContact CE-O 3.45Å; M230-F294 HydrophobicContact CB-CB 4.11Å; M230-F294 HydrophobicContact CE-CB 3.54Å; M230-F294 HydrophobicContact CE-CD2 4.29Å; M230-F294 HydrophobicContact CE-CG 4.36Å; M230-F294 HydrophobicContact CG-CB 4.29Å
231	G	78.2	Confident	61	Low	43 Å²	43	88.4 Å²	88.4	44%	0.443	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-57.2	144.8	-179	0	0	0	0	0	112.2	H293 F294	G231-H293 CarbonylContact O-C 3.45Å; G231-H293 WeakPolarHBondContact O-CA 3.3Å; G231-H293 WeakPolarHBondContact O-CB 3.2Å; G231-F294 PolarHBondContact O-N 2.76Å
232	S	69	Low	58.7	Low	71 Å²	71	94.8 Å²	94.8	50%	0.497	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-89.3	151	165.1	51.6	0	0	0	0	109.4	E234 S235	S232-E234 PolarHBondContact O-N 3.24Å; S232-S235 PolarHBondContact O-N 3.02Å
233	S	56.6	Low	56.4	Low	86 Å²	86	95 Å²	95	60%	0.601	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-51.9	-20.8	-178.9	-175	0	0	0	0	114.5	S235	S233-S235 VanDerWaalsContact C-N 3.32Å; S233-S235 PolarHBondContact O-N 2.75Å
234	E	50.8	Low	54	Low	169 Å²	169	97.4 Å²	97.4	79%	0.79	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-75.1	-10.7	-173.1	-61.4	-175	165.4	0	0	115.5	S232	S232-E234 PolarHBondContact O-N 3.24Å
235	S	43.1	Very low	51.4	Low	108 Å²	108	103 Å²	103	76%	0.755	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-88.1	-3.1	-171.2	-151.1	0	0	0	0	115.7	S232 S233	S232-S235 PolarHBondContact O-N 3.02Å; S233-S235 VanDerWaalsContact C-N 3.32Å; S233-S235 PolarHBondContact O-N 2.75Å
236	E	36.3	Very low	48.5	Very low	166 Å²	166	110.1 Å²	110.1	78%	0.776	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-104.4	5.8	-175.8	-72.4	-172.9	168.8	0	0	115.3	I238	E236-I238 PolarHBondContact O-N 3.49Å
237	L	35	Very low	45.6	Very low	162 Å²	162	113.9 Å²	113.9	85%	0.848	65%	0.65	S	S	*	*			trans	-93	27.6	-176.1	-76.6	171	0	0	0	116.3
238	I	30.2	Very low	42.5	Very low	161 Å²	161	120.7 Å²	120.7	83%	0.826	69%	0.686	S	S	*	*			trans	-127.4	72.5	167.5	-45.8	177.1	0	0	0	110.1	E236	E236-I238 PolarHBondContact O-N 3.49Å
239	S	26.4	Very low	39.5	Very low	110 Å²	110	127 Å²	127	77%	0.769	71%	0.714	S	S	*	*			trans	-133.6	101.1	152.4	50	0	0	0	0	107.4
240	T	25.7	Very low	36.4	Very low	124 Å²	124	130.2 Å²	130.2	76%	0.761	73%	0.726	S	S	*	*			trans	-80	121.6	179.3	46.2	0	0	0	0	110.5
241	D	22.4	Very low	33.5	Very low	162 Å²	162	135.7 Å²	135.7	87%	0.866	76%	0.756	S	S	*	*			trans	-126.9	104.4	159	-88.6	-25.4	0	0	0	108.1
242	E	22.3	Very low	30.8	Very low	188 Å²	188	141 Å²	141	88%	0.879	77%	0.769	S	S	*	*				161.3	137.6	121.9	-88.1	-160.2	152.6	0	0	112.8
243	S	26.9	Very low	28.7	Very low	106 Å²	106	147.2 Å²	147.2	74%	0.741	78%	0.783	S	S	*	*			trans	-70.7	124.3	169.1	46.9	0	0	0	0	112.3
244	S	24	Very low	27.3	Very low	104 Å²	104	148.4 Å²	148.4	73%	0.727	79%	0.791	S	S	*	*			trans	-170	117	152	-85.2	0	0	0	0	113.3
245	H	22.9	Very low	25.8	Very low	169 Å²	169	149.4 Å²	149.4	78%	0.782	79%	0.793	S	S	*	*			trans	60.4	132.2	136.6	-74.3	-77.9	0	0	0	123.6
246	Q	22.5	Very low	25.1	Very low	170 Å²	170	154.3 Å²	154.3	79%	0.794	80%	0.797	S	S	*	*			trans	76.8	95.1	151.2	-67.1	168.3	-4.2	0	0	116.4
247	C	19.5	Very low	24.4	Very low	119 Å²	119	151.6 Å²	151.6	80%	0.804	80%	0.796	S	S	*	*				57.8	94.7	80.5	-58.2	0	0	0	0	114.2
248	I	21.2	Very low	24	Very low	162 Å²	162	152.8 Å²	152.8	83%	0.831	80%	0.797	S	S	*	*				-176.4	123	95.6	-84.8	162.9	0	0	0	107.1
249	E	22.2	Very low	23.6	Very low	182 Å²	182	153.9 Å²	153.9	85%	0.85	80%	0.796	S	S	*	*			trans	-79.1	140.1	169.7	-60.8	171.9	145	0	0	109.1
250	D	24.4	Very low	23.8	Very low	148 Å²	148	154.5 Å²	154.5	79%	0.791	80%	0.797	S	S	*	*			trans	-157	104.9	142.5	-93.8	-30.4	0	0	0	110
251	N	24.9	Very low	23.7	Very low	140 Å²	140	158 Å²	158	75%	0.749	80%	0.802	S	S	*	*			trans	57.2	116.6	140.6	-78.9	-20.4	0	0	0	124.5
252	E	21.5	Very low	24.2	Very low	154 Å²	154	155.5 Å²	155.5	72%	0.72	80%	0.797	S	S	*	*				67.4	124.9	118	-88.1	-167.9	169.9	0	0	124.8
253	Y	23.1	Very low	24.5	Very low	202 Å²	202	151 Å²	151	79%	0.792	79%	0.786	S	S	*	*			trans	68.9	105.8	152.6	-74.8	-79.6	0	0	0	122.6
254	S	27.8	Very low	24.8	Very low	110 Å²	110	152.4 Å²	152.4	77%	0.769	78%	0.783	S	S	*	*			trans	-158	120.3	131.2	-159.1	0	0	0	0	113.5
255	K	19.7	Very low	24.8	Very low	191 Å²	191	153.1 Å²	153.1	83%	0.83	78%	0.783	S	S	*	*			trans	-62.6	127.1	156.4	-86.8	169.5	171	168.5	0	107.6
256	Y	27.5	Very low	25.3	Very low	210 Å²	210	148.4 Å²	148.4	82%	0.824	76%	0.76	S	S	*	*			trans	-161.2	129.9	131.8	-91.6	-67.4	0	0	0	111.1	H258	Y256-H258 PolarHBondContact O-N 2.69Å
257	S	23	Very low	25.7	Very low	110 Å²	110	144 Å²	144	77%	0.769	75%	0.749	S	S	*	*			trans	-52.2	113	176.2	166	0	0	0	0	113.2
258	H	25.4	Very low	26.1	Very low	186 Å²	186	146 Å²	146	86%	0.861	75%	0.751	S	S	*	*			trans	-90.2	109.7	162.3	-77.5	-75.9	0	0	0	110.1	Y256	Y256-H258 PolarHBondContact O-N 2.69Å
259	K	23	Very low	26.5	Very low	185 Å²	185	144.4 Å²	144.4	80%	0.804	74%	0.744	S	S	*	*			trans	-66.5	138.5	160.3	-79.1	-179.8	175.5	179	0	109	K261	K259-K261 PolarHBondContact O-N 3.2Å
260	P	29.9	Very low	26.7	Very low	122 Å²	122	144.8 Å²	144.8	79%	0.792	75%	0.745	S	S	*	*			trans	-72.2	124.2	178.2	27.5	-30.9	0	0	0	110.6
261	K	23.9	Very low	26.8	Very low	198 Å²	198	144.1 Å²	144.1	86%	0.861	75%	0.751	S	S	*	*			trans	-91.7	106.2	168.8	-77.6	-178.6	175.8	-179.7	0	108.4	K259 S263	K259-K261 PolarHBondContact O-N 3.2Å; K261-S263 PolarHBondContact O-N 2.98Å
262	S	31.7	Very low	26.8	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	76%	0.756	S	S	*	*			trans	-79.5	89.7	166.7	-40.6	0	0	0	0	108.5
263	S	29.1	Very low	26.9	Very low	93 Å²	93	146 Å²	146	65%	0.65	76%	0.756	S	S	*	*			trans	-116.5	99.2	168.3	-71.9	0	0	0	0	108.3	K261 T265	K261-S263 PolarHBondContact O-N 2.98Å; S263-T265 PolarHBondContact O-N 3.08Å
264	M	32.7	Very low	27.2	Very low	135 Å²	135	143.6 Å²	143.6	67%	0.665	76%	0.756	S	S	*	*			trans	-74.2	109.7	162.7	-72.6	-81.9	100.3	0	0	107.5	F266	M264-F266 HydrophobicContact CB-CD2 4.37Å; M264-F266 HydrophobicContact CB-CE2 3.9Å; M264-F266 HydrophobicContact SD-CZ 4.38Å
265	T	25.8	Very low	27	Very low	119 Å²	119	144.2 Å²	144.2	73%	0.73	76%	0.755	S	S	*	*			trans	-106.4	105.4	170.4	51.4	0	0	0	0	108.9	S263 S267	S263-T265 PolarHBondContact O-N 3.08Å; T265-S267 PolarHBondContact O-N 3Å
266	F	33.1	Very low	27.4	Very low	71 Å²	71	141 Å²	141	31%	0.311	75%	0.752	S	S	.	*			trans	-88.1	68.8	177.9	-71.4	-81.1	0	0	0	111.3	E171 M264 T297	E171-F266 HydrophobicContact CG-CD2 4.46Å; M264-F266 HydrophobicContact CB-CD2 4.37Å; M264-F266 HydrophobicContact CB-CE2 3.9Å; M264-F266 HydrophobicContact SD-CZ 4.38Å; F266-T297 HydrophobicContact CE1-CG2 3.88Å
267	S	29.5	Very low	27.3	Very low	78 Å²	78	136.4 Å²	136.4	55%	0.545	75%	0.75	S	S	.	*			trans	-108.5	3.4	-176.8	-55.6	0	0	0	0	115.9	T265	T265-S267 PolarHBondContact O-N 3Å
268	N	29.6	Very low	27.3	Very low	161 Å²	161	138.3 Å²	138.3	86%	0.861	75%	0.752	S	S	*	*			trans	-142.9	51.5	-175.3	-72.2	-50.9	0	0	0	115.6	H270	N268-H270 PolarHBondContact O-N 3.24Å
269	L	28.8	Very low	27.4	Very low	128 Å²	128	135.4 Å²	135.4	67%	0.67	75%	0.747	S	S	*	*			trans	-91.4	77.8	166.2	-76.9	161.7	0	0	0	110.2
270	H	26.3	Very low	27.6	Very low	189 Å²	189	134.5 Å²	134.5	88%	0.875	75%	0.751	S	S	*	*			trans	-97	118.9	159.2	-104.6	-45	0	0	0	108.8	N268 R272	N268-H270 PolarHBondContact O-N 3.24Å; H270-R272 PolarHBondContact O-N 3.24Å
271	C	25.6	Very low	27.4	Very low	135 Å²	135	132.5 Å²	132.5	91%	0.912	75%	0.753	S	S	*	*			trans	-46.5	102.3	178	-66.5	0	0	0	0	111.9	S273	C271-S273 PolarHBondContact O-N 3.46Å
272	R	26.1	Very low	27.5	Very low	230 Å²	230	131.5 Å²	131.5	87%	0.868	75%	0.751	S	S	*	*			trans	-79.8	100.3	173	-158.7	176.9	-171.9	-175.8	1.9	108.4	H270 L274	H270-R272 PolarHBondContact O-N 3.24Å; R272-L274 PolarHBondContact O-N 2.88Å
273	S	23.1	Very low	27.2	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	75%	0.754	S	S	*	*			trans	-64.6	112.5	171.3	-173.7	0	0	0	0	109.8	C271 V275	C271-S273 PolarHBondContact O-N 3.46Å; S273-V275 PolarHBondContact O-N 2.85Å
274	L	30	Very low	26.9	Very low	153 Å²	153	134.1 Å²	134.1	80%	0.801	76%	0.761	S	S	*	*			trans	-81.3	109.8	166	-102.2	93.6	0	0	0	108.8	R272	R272-L274 PolarHBondContact O-N 2.88Å
275	V	22.6	Very low	26.6	Very low	122 Å²	122	135 Å²	135	74%	0.739	77%	0.765	S	S	*	*			trans	-86.9	112.3	166.5	177.7	0	0	0	0	107.7	S273	S273-V275 PolarHBondContact O-N 2.85Å
276	T	28.5	Very low	26.8	Very low	125 Å²	125	134.5 Å²	134.5	77%	0.767	76%	0.764	S	S	*	*			trans	-129.1	124.9	158	52.4	0	0	0	0	109.6
277	S	24.8	Very low	26.6	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	79%	0.788	S	S	*	*			trans	-67.3	143.1	-173.8	-35.5	0	0	0	0	113.3
278	N	23.4	Very low	26.9	Very low	150 Å²	150	141 Å²	141	80%	0.802	80%	0.799	S	S	*	*			trans	-43.9	141.7	165.1	-72.1	-31.3	0	0	0	113.7
279	T	26.9	Very low	27.2	Very low	124 Å²	124	141.3 Å²	141.3	76%	0.761	80%	0.795	S	S	*	*				174.6	100.6	93.3	45.5	0	0	0	0	109.4
280	N	28.6	Very low	27.9	Very low	166 Å²	166	144.1 Å²	144.1	89%	0.888	80%	0.802	S	S	*	*	S	Bend	trans	177.1	122.7	136.8	-87.5	-16.8	0	0	0	108.2	Q282	N280-Q282 PolarHBondContact O-N 3.25Å
281	G	24.9	Very low	29.1	Very low	80 Å²	80	140.1 Å²	140.1	83%	0.825	79%	0.787	S	S	*	*	S	Bend	trans	-68.4	112.7	-165.5	0	0	0	0	0	113.7
282	Q	26.9	Very low	31	Very low	178 Å²	178	138.7 Å²	138.7	83%	0.832	77%	0.774	S	S	*	*			trans	-174.3	110.2	142.4	-101.1	168.8	32.4	0	0	104.6	N280 P284	N280-Q282 PolarHBondContact O-N 3.25Å; Q282-P284 WeakPolarHBondContact O-CD 3.45Å; Q282-P284 VanDerWaalsContact O-N 3.1Å
283	T	24.6	Very low	33.7	Very low	134 Å²	134	131 Å²	131	82%	0.822	75%	0.747	S	S	*	*			trans	-56.9	108.7	-179.2	-19.9	0	0	0	0	109.2	M285	T283-M285 VanDerWaalsContact C-N 3.33Å; T283-M285 PolarHBondContact O-N 3.39Å; T283-M285 VanDerWaalsContact O-N 3.08Å
284	P	24	Very low	36.8	Very low	124 Å²	124	127.3 Å²	127.3	81%	0.805	72%	0.719	S	S	*	*			trans	-82.2	93.6	169.6	4.5	16.4	0	0	0	105.5	Q282	Q282-P284 WeakPolarHBondContact O-CD 3.45Å; Q282-P284 VanDerWaalsContact O-N 3.1Å
285	M	25.3	Very low	39.8	Very low	152 Å²	152	121.9 Å²	121.9	75%	0.749	69%	0.694	S	S	*	*			trans	-57.1	139	156.9	-77	-70	-72.3	0	0	107.7	T283 V287	T283-M285 VanDerWaalsContact C-N 3.33Å; T283-M285 PolarHBondContact O-N 3.39Å; T283-M285 VanDerWaalsContact O-N 3.08Å; M285-V287 PolarHBondContact O-N 3.37Å
286	P	31.1	Very low	43.1	Very low	110 Å²	110	117.8 Å²	117.8	71%	0.714	67%	0.67	S	S	*	*			trans	-64.4	112	-175	26.1	-31.6	0	0	0	108.5	I288	P286-I288 PolarHBondContact O-N 3.11Å; P286-I288 VanDerWaalsContact O-N 3.11Å
287	V	28.8	Very low	46.1	Very low	132 Å²	132	113.7 Å²	113.7	80%	0.8	65%	0.645	S	S	*	*			trans	-57.5	115.2	162	177	0	0	0	0	105.1	M285 E289	M285-V287 PolarHBondContact O-N 3.37Å; V287-E289 PolarHBondContact O-N 3.5Å
288	I	34.4	Very low	49.4	Very low	154 Å²	154	113.2 Å²	113.2	79%	0.79	63%	0.63	S	S	*	*			trans	-63.7	90.6	176.4	-61.9	164.9	0	0	0	106.4	P286 K290	P286-I288 PolarHBondContact O-N 3.11Å; P286-I288 VanDerWaalsContact O-N 3.11Å; I288-K290 PolarHBondContact O-N 3.48Å
289	E	36.6	Very low	52.8	Low	166 Å²	166	106.4 Å²	106.4	78%	0.776	59%	0.594	S	S	*	*			trans	-52.3	134.6	164.5	-81.9	-179.6	151.6	0	0	107.4	V287 L291	V287-E289 PolarHBondContact O-N 3.5Å; E289-L291 PolarHBondContact O-N 2.79Å
290	K	42.6	Very low	56	Low	188 Å²	188	101 Å²	101	82%	0.817	56%	0.56	S	S	*	*			trans	-53.9	101.1	175.6	-76.2	173	177.5	169.7	0	108.2	I288 T292	I288-K290 PolarHBondContact O-N 3.48Å; K290-T292 PolarHBondContact O-N 3.42Å
291	L	52.4	Low	59.2	Low	105 Å²	105	95.7 Å²	95.7	55%	0.55	53%	0.531	S	S	.	.			trans	-54.7	112.6	172	-100.7	76.7	0	0	0	108	E289	E289-L291 PolarHBondContact O-N 2.79Å
292	T	65.9	Low	62.4	Low	105 Å²	105	96.5 Å²	96.5	64%	0.644	51%	0.513	S	S	*	.			trans	-78.9	-11.8	179.4	51.4	0	0	0	0	112.4	K290	K290-T292 PolarHBondContact O-N 3.42Å
293	H	81.4	Confident	65.7	Low	67 Å²	67	88.8 Å²	88.8	31%	0.31	48%	0.477	S	S	.	.	S	Bend	trans	-132.9	153.3	-174.8	62.4	-87	0	0	0	112.4	M230 G231	M230-H293 WeakPolarHBondContact CE-O 3.45Å; G231-H293 CarbonylContact O-C 3.45Å; G231-H293 WeakPolarHBondContact O-CA 3.3Å; G231-H293 WeakPolarHBondContact O-CB 3.2Å
294	F	89.4	Confident	69	Low	25 Å²	25	84.9 Å²	84.9	11%	0.11	45%	0.449	C	S	.	.			trans	-103.9	131	175.6	179.8	-113.4	0	0	0	110.6	R192 L199 M230 G231 C296 L299	R192-F294 HydrophobicContact CB-CB 4.37Å; R192-F294 HydrophobicContact CB-CD1 4.42Å; R192-F294 HydrophobicContact CB-CD2 3.52Å; R192-F294 HydrophobicContact CB-CE2 3.88Å; R192-F294 HydrophobicContact CB-CG 3.83Å; R192-F294 HydrophobicContact CB-CZ 4.46Å; L199-F294 HydrophobicContact CD2-CE2 3.5Å; L199-F294 HydrophobicContact CD2-CZ 3.52Å; M230-F294 HydrophobicContact CB-CB 4.11Å; M230-F294 HydrophobicContact CE-CB 3.54Å; M230-F294 HydrophobicContact CE-CD2 4.29Å; M230-F294 HydrophobicContact CE-CG 4.36Å; M230-F294 HydrophobicContact CG-CB 4.29Å; G231-F294 PolarHBondContact O-N 2.76Å; F294-C296 VanDerWaalsContact CE1-SG 3.6Å; F294-L299 HydrophobicContact CE2-CB 4.38Å; F294-L299 HydrophobicContact CE2-CD2 4.1Å; F294-L299 HydrophobicContact CZ-CD2 4.02Å
295	S	92.1	Very high	72.3	Confident	40 Å²	40	85.5 Å²	85.5	28%	0.28	44%	0.442	S	S	.	.			trans	-129.4	125.8	171.8	173	0	0	0	0	109.9	T297 E298 L299	S295-T297 VanDerWaalsContact C-N 3.28Å; S295-T297 PolarHBondContact O-N 2.71Å; S295-T297 PolarHBondContact OG-N 3.11Å; S295-E298 PolarHBondContact O-N 2.98Å; S295-E298 PolarHBondContact OG-N 2.79Å; S295-L299 PolarHBondContact O-N 3.44Å; S295-L299 VanDerWaalsContact O-N 3.11Å
296	C	91.9	Very high	75.4	Confident	35 Å²	35	83.4 Å²	83.4	24%	0.236	43%	0.431	C	S	.	.	H	α-helix	trans	-62.7	-37.5	173.5	-68.3	0	0	0	0	111.2	F174 F294 L299 L300	F174-C296 HydrophobicContact CE1-CB 4.18Å; F174-C296 HydrophobicContact CZ-CB 4.37Å; F294-C296 VanDerWaalsContact CE1-SG 3.6Å; C296-L299 WeakPolarHBondContact O-CB 3.39Å; C296-L299 PolarHBondContact O-N 3.32Å; C296-L300 VanDerWaalsContact O-CG 3.29Å; C296-L300 WeakPolarHBondContact O-CG 3.42Å; C296-L300 PolarHBondContact O-N 2.78Å
297	T	92.9	Very high	78.2	Confident	40 Å²	40	79.9 Å²	79.9	25%	0.245	41%	0.408	C	S	.	.	H	α-helix	trans	-62.1	-48.1	178.9	-59.4	0	0	0	0	111.4	F266 S295 L299 L300 I301	F266-T297 HydrophobicContact CE1-CG2 3.88Å; S295-T297 VanDerWaalsContact C-N 3.28Å; S295-T297 PolarHBondContact O-N 2.71Å; S295-T297 PolarHBondContact OG-N 3.11Å; T297-L299 VanDerWaalsContact C-N 3.31Å; T297-L299 PolarHBondContact O-N 3.01Å; T297-L300 PolarHBondContact O-N 2.77Å; T297-I301 HydrophobicContact CG2-CD1 3.86Å; T297-I301 VanDerWaalsContact O-CG1 3.31Å; T297-I301 WeakPolarHBondContact O-CG1 3.27Å; T297-I301 PolarHBondContact O-N 3.22Å
298	E	93.4	Very high	81	Confident	103 Å²	103	76.3 Å²	76.3	48%	0.481	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-39	177.4	-66	-55.8	139.9	0	0	111.8	S295 L300 I301 Q302	S295-E298 PolarHBondContact O-N 2.98Å; S295-E298 PolarHBondContact OG-N 2.79Å; E298-L300 PolarHBondContact O-N 2.99Å; E298-I301 PolarHBondContact O-N 2.87Å; E298-Q302 WeakPolarHBondContact O-CB 3.33Å; E298-Q302 PolarHBondContact O-N 3.15Å
299	L	94	Very high	83.6	Confident	6 Å²	6	71 Å²	71	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-59.9	-45.3	175	-179.7	71.6	0	0	0	111.9	L190 L199 F294 S295 C296 T297 Q302 W303	L190-L299 HydrophobicContact CD2-CD2 4.25Å; L199-L299 HydrophobicContact CD1-CD1 4.01Å; L199-L299 HydrophobicContact CD1-CD2 3.73Å; L199-L299 HydrophobicContact CD2-CD2 3.8Å; L199-L299 HydrophobicContact CG-CD2 4.44Å; F294-L299 HydrophobicContact CE2-CB 4.38Å; F294-L299 HydrophobicContact CE2-CD2 4.1Å; F294-L299 HydrophobicContact CZ-CD2 4.02Å; S295-L299 PolarHBondContact O-N 3.44Å; S295-L299 VanDerWaalsContact O-N 3.11Å; C296-L299 WeakPolarHBondContact O-CB 3.39Å; C296-L299 PolarHBondContact O-N 3.32Å; T297-L299 VanDerWaalsContact C-N 3.31Å; T297-L299 PolarHBondContact O-N 3.01Å; L299-Q302 PolarHBondContact O-N 2.63Å; L299-W303 HydrophobicContact CD1-CD2 4.38Å; L299-W303 HydrophobicContact CD1-CZ2 3.83Å; L299-W303 HydrophobicContact CD2-CH2 3.86Å; L299-W303 HydrophobicContact CD2-CZ2 3.9Å; L299-W303 HydrophobicContact CD2-CZ3 4.27Å; L299-W303 HydrophobicContact CG-CD2 4.17Å; L299-W303 HydrophobicContact CG-CE3 4.45Å; L299-W303 HydrophobicContact CG-CH2 4.26Å; L299-W303 HydrophobicContact CG-CZ2 3.95Å; L299-W303 HydrophobicContact CG-CZ3 4.48Å; L299-W303 PolarHBondContact O-N 3.13Å
300	L	95.6	Very high	86.3	Confident	12 Å²	12	65.3 Å²	65.3	6%	0.063	34%	0.343	C	S	.	.	H	α-helix	trans	-68.1	-39.9	179.6	-66.8	175.1	0	0	0	111.7	I170 F174 C296 T297 E298 Q302 W303 F304 V313 L317	I170-L300 HydrophobicContact CG2-CD1 4.16Å; I170-L300 HydrophobicContact CG2-CD2 4.38Å; F174-L300 HydrophobicContact CE2-CD1 3.8Å; F174-L300 HydrophobicContact CZ-CD1 4.09Å; C296-L300 VanDerWaalsContact O-CG 3.29Å; C296-L300 WeakPolarHBondContact O-CG 3.42Å; C296-L300 PolarHBondContact O-N 2.78Å; T297-L300 PolarHBondContact O-N 2.77Å; E298-L300 PolarHBondContact O-N 2.99Å; L300-Q302 VanDerWaalsContact C-N 3.35Å; L300-W303 HydrophobicContact CD2-CE3 4.18Å; L300-W303 HydrophobicContact CD2-CZ3 4.46Å; L300-W303 PolarHBondContact O-N 3.11Å; L300-F304 WeakPolarHBondContact O-CB 3.44Å; L300-F304 PolarHBondContact O-N 3.38Å; L300-V313 HydrophobicContact CD2-CG1 3.88Å; L300-L317 HydrophobicContact CD2-CD2 4.42Å
301	I	94.2	Very high	88.7	Confident	54 Å²	54	59 Å²	59	28%	0.277	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-46.8	173.8	-68.6	166.9	0	0	0	109.8	T297 E298 W303 F304 M305	T297-I301 HydrophobicContact CG2-CD1 3.86Å; T297-I301 VanDerWaalsContact O-CG1 3.31Å; T297-I301 WeakPolarHBondContact O-CG1 3.27Å; T297-I301 PolarHBondContact O-N 3.22Å; E298-I301 PolarHBondContact O-N 2.87Å; I301-W303 PolarHBondContact O-N 2.94Å; I301-F304 PolarHBondContact O-N 2.97Å; I301-M305 HydrophobicContact CG2-CG 4.46Å; I301-M305 WeakPolarHBondContact O-CG 3.48Å; I301-M305 PolarHBondContact O-N 3.14Å
302	Q	93.9	Very high	90.7	Very high	96 Å²	96	55.4 Å²	55.4	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-49.1	177	-175.1	-171.7	-18.6	0	0	111.2	E298 L299 L300 F304 M305 E306	E298-Q302 WeakPolarHBondContact O-CB 3.33Å; E298-Q302 PolarHBondContact O-N 3.15Å; L299-Q302 PolarHBondContact O-N 2.63Å; L300-Q302 VanDerWaalsContact C-N 3.35Å; Q302-F304 VanDerWaalsContact C-N 3.28Å; Q302-F304 PolarHBondContact O-N 3.48Å; Q302-M305 PolarHBondContact O-N 3.24Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.3Å; Q302-E306 PolarHBondContact NE2-OE1 2.89Å; Q302-E306 WeakPolarHBondContact O-CG 3.11Å; Q302-E306 PolarHBondContact O-N 2.87Å
303	W	95.2	Very high	92.1	Very high	16 Å²	16	50.4 Å²	50.4	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-33.4	178.3	-71.9	-8.2	0	0	0	113	L199 L299 L300 I301 E306 S307 V313 K316 L317	L199-W303 HydrophobicContact CD1-CH2 4.04Å; L199-W303 HydrophobicContact CD1-CZ2 3.61Å; L299-W303 HydrophobicContact CD1-CD2 4.38Å; L299-W303 HydrophobicContact CD1-CZ2 3.83Å; L299-W303 HydrophobicContact CD2-CH2 3.86Å; L299-W303 HydrophobicContact CD2-CZ2 3.9Å; L299-W303 HydrophobicContact CD2-CZ3 4.27Å; L299-W303 HydrophobicContact CG-CD2 4.17Å; L299-W303 HydrophobicContact CG-CE3 4.45Å; L299-W303 HydrophobicContact CG-CH2 4.26Å; L299-W303 HydrophobicContact CG-CZ2 3.95Å; L299-W303 HydrophobicContact CG-CZ3 4.48Å; L299-W303 PolarHBondContact O-N 3.13Å; L300-W303 HydrophobicContact CD2-CE3 4.18Å; L300-W303 HydrophobicContact CD2-CZ3 4.46Å; L300-W303 PolarHBondContact O-N 3.11Å; I301-W303 PolarHBondContact O-N 2.94Å; W303-E306 PolarHBondContact O-N 3.08Å; W303-S307 WeakPolarHBondContact O-CB 3.43Å; W303-S307 PolarHBondContact O-N 3.1Å; W303-S307 PolarHBondContact O-OG 3.37Å; W303-V313 HydrophobicContact CB-CG1 4.24Å; W303-V313 HydrophobicContact CB-CG2 4.08Å; W303-V313 HydrophobicContact CE3-CG1 4.3Å; W303-K316 HydrophobicContact CB-CD 4.48Å; W303-K316 VanDerWaalsContact CD1-NZ 3.26Å; W303-K316 HydrophobicContact CD2-CD 3.76Å; W303-K316 HydrophobicContact CD2-CG 4.17Å; W303-K316 HydrophobicContact CE3-CB 4.41Å; W303-K316 HydrophobicContact CE3-CD 4.25Å; W303-K316 HydrophobicContact CE3-CG 4.22Å; W303-K316 HydrophobicContact CG-CD 3.87Å; W303-K316 HydrophobicContact CH2-CG 4.33Å; W303-K316 HydrophobicContact CZ2-CD 4.41Å; W303-K316 HydrophobicContact CZ2-CG 4.28Å; W303-K316 HydrophobicContact CZ3-CG 4.31Å; W303-L317 HydrophobicContact CZ3-CB 4.02Å; W303-L317 HydrophobicContact CZ3-CD1 4.19Å
304	F	94	Very high	92.8	Very high	53 Å²	53	47.5 Å²	47.5	23%	0.232	25%	0.252	C	S	.	.	H	α-helix	trans	-68.6	-39.6	174.1	-177.5	-102.8	0	0	0	111.6	L300 I301 Q302 E306 G308 W310 V313	L300-F304 WeakPolarHBondContact O-CB 3.44Å; L300-F304 PolarHBondContact O-N 3.38Å; I301-F304 PolarHBondContact O-N 2.97Å; Q302-F304 VanDerWaalsContact C-N 3.28Å; Q302-F304 PolarHBondContact O-N 3.48Å; F304-E306 VanDerWaalsContact C-N 3.33Å; F304-E306 PolarHBondContact O-N 3.15Å; F304-G308 VanDerWaalsContact O-CA 3.29Å; F304-G308 WeakPolarHBondContact O-CA 3.44Å; F304-G308 PolarHBondContact O-N 3.24Å; F304-W310 HydrophobicContact CB-CH2 4.11Å; F304-W310 HydrophobicContact CB-CZ2 4.42Å; F304-W310 HydrophobicContact CB-CZ3 4.19Å; F304-W310 HydrophobicContact CD1-CZ2 4.37Å; F304-W310 AromaticContact CD2-CD2 3.58Å; F304-W310 HydrophobicContact CD2-CD2 3.58Å; F304-W310 AromaticContact CD2-CE2 3.51Å; F304-W310 AromaticContact CD2-CE3 4Å; F304-W310 HydrophobicContact CD2-CE3 4Å; F304-W310 AromaticContact CD2-CG 3.94Å; F304-W310 HydrophobicContact CD2-CG 3.94Å; F304-W310 HydrophobicContact CD2-CH2 4.29Å; F304-W310 AromaticContact CD2-CZ2 3.9Å; F304-W310 HydrophobicContact CD2-CZ2 3.9Å; F304-W310 HydrophobicContact CD2-CZ3 4.33Å; F304-W310 AromaticContact CD2-NE1 3.78Å; F304-W310 AromaticContact CE2-CD1 3.5Å; F304-W310 AromaticContact CE2-CD2 3.9Å; F304-W310 HydrophobicContact CE2-CD2 3.9Å; F304-W310 AromaticContact CE2-CE2 3.62Å; F304-W310 AromaticContact CE2-CG 3.87Å; F304-W310 HydrophobicContact CE2-CG 3.87Å; F304-W310 HydrophobicContact CE2-CZ2 4.27Å; F304-W310 AromaticContact CE2-NE1 3.36Å; F304-W310 HydrophobicContact CG-CD2 4.39Å; F304-W310 HydrophobicContact CG-CH2 4.16Å; F304-W310 AromaticContact CG-CZ2 3.96Å; F304-W310 HydrophobicContact CG-CZ2 3.96Å; F304-W310 HydrophobicContact CG-CZ3 4.45Å; F304-W310 AromaticContact CZ-NE1 3.86Å; F304-V313 HydrophobicContact CB-CG2 4.03Å; F304-V313 HydrophobicContact CD2-CG2 4.4Å
305	M	93.9	Very high	93	Very high	136 Å²	136	46.4 Å²	46.4	67%	0.67	25%	0.247	S	C	*	.	H	α-helix	trans	-64	-36.6	173.3	-67.4	-67.1	98.1	0	0	112.5	I301 Q302	I301-M305 HydrophobicContact CG2-CG 4.46Å; I301-M305 WeakPolarHBondContact O-CG 3.48Å; I301-M305 PolarHBondContact O-N 3.14Å; Q302-M305 PolarHBondContact O-N 3.24Å
306	E	90.6	Very high	93.2	Very high	109 Å²	109	46 Å²	46	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-70.8	-40.2	178	-72.6	168.3	-169.6	0	0	113	Q302 W303 F304 K316	Q302-E306 WeakPolarHBondContact CG-OE1 3.3Å; Q302-E306 PolarHBondContact NE2-OE1 2.89Å; Q302-E306 WeakPolarHBondContact O-CG 3.11Å; Q302-E306 PolarHBondContact O-N 2.87Å; W303-E306 PolarHBondContact O-N 3.08Å; F304-E306 VanDerWaalsContact C-N 3.33Å; F304-E306 PolarHBondContact O-N 3.15Å; E306-K316 IonicContact OE2-NZ 2.81Å; E306-K316 PolarHBondContact OE2-NZ 3.23Å
307	S	88.7	Confident	93.4	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	23%	0.228	C	C	.	.	H	α-helix	trans	-99.6	-23.2	-172.8	60	0	0	0	0	114.6	W303 N309	W303-S307 WeakPolarHBondContact O-CB 3.43Å; W303-S307 PolarHBondContact O-N 3.1Å; W303-S307 PolarHBondContact O-OG 3.37Å; S307-N309 PolarHBondContact O-N 3.05Å; S307-N309 PolarHBondContact O-ND2 2.88Å; S307-N309 PolarHBondContact OG-O 3.08Å
308	G	88.1	Confident	93.5	Very high	58 Å²	58	42.4 Å²	42.4	60%	0.598	22%	0.217	S	C	*	.	S	Bend	trans	70.7	3.1	-177.1	0	0	0	0	0	115.4	F304	F304-G308 VanDerWaalsContact O-CA 3.29Å; F304-G308 WeakPolarHBondContact O-CA 3.44Å; F304-G308 PolarHBondContact O-N 3.24Å
309	N	89.6	Confident	93.7	Very high	42 Å²	42	37.5 Å²	37.5	23%	0.225	19%	0.194	C	C	.	.	S	Bend	trans	-151.1	143.6	-178.1	70.2	83.8	0	0	0	112.7	S307 R311 D312 V313	S307-N309 PolarHBondContact O-N 3.05Å; S307-N309 PolarHBondContact O-ND2 2.88Å; S307-N309 PolarHBondContact OG-O 3.08Å; N309-R311 VanDerWaalsContact C-N 3.25Å; N309-R311 PolarHBondContact O-N 3.04Å; N309-R311 WeakPolarHBondContact OD1-CB 3.02Å; N309-R311 PolarHBondContact OD1-N 3.2Å; N309-D312 PolarHBondContact ND2-OD2 3.03Å; N309-D312 PolarHBondContact O-N 3.43Å; N309-D312 WeakPolarHBondContact OD1-CB 3.33Å; N309-D312 PolarHBondContact OD1-N 3.37Å; N309-D312 PolarHBondContact OD1-OD1 3.44Å; N309-D312 PolarHBondContact OD1-OD2 3.32Å; N309-V313 WeakPolarHBondContact O-CG2 3.49Å
310	W	93.3	Very high	93.7	Very high	46 Å²	46	37.3 Å²	37.3	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-70.6	-20.2	-177.6	-71.4	109	0	0	0	113.9	F166 L167 I170 F304 V313 F314	F166-W310 HydrophobicContact CB-CB 4.02Å; L167-W310 HydrophobicContact CB-CG 4.37Å; L167-W310 HydrophobicContact CD1-CD2 3.95Å; L167-W310 HydrophobicContact CD1-CE3 3.93Å; L167-W310 HydrophobicContact CD1-CH2 4.05Å; L167-W310 HydrophobicContact CD1-CZ2 4.07Å; L167-W310 HydrophobicContact CD1-CZ3 3.98Å; I170-W310 HydrophobicContact CD1-CE3 3.67Å; I170-W310 HydrophobicContact CD1-CZ3 4.34Å; F304-W310 HydrophobicContact CB-CH2 4.11Å; F304-W310 HydrophobicContact CB-CZ2 4.42Å; F304-W310 HydrophobicContact CB-CZ3 4.19Å; F304-W310 HydrophobicContact CD1-CZ2 4.37Å; F304-W310 AromaticContact CD2-CD2 3.58Å; F304-W310 HydrophobicContact CD2-CD2 3.58Å; F304-W310 AromaticContact CD2-CE2 3.51Å; F304-W310 AromaticContact CD2-CE3 4Å; F304-W310 HydrophobicContact CD2-CE3 4Å; F304-W310 AromaticContact CD2-CG 3.94Å; F304-W310 HydrophobicContact CD2-CG 3.94Å; F304-W310 HydrophobicContact CD2-CH2 4.29Å; F304-W310 AromaticContact CD2-CZ2 3.9Å; F304-W310 HydrophobicContact CD2-CZ2 3.9Å; F304-W310 HydrophobicContact CD2-CZ3 4.33Å; F304-W310 AromaticContact CD2-NE1 3.78Å; F304-W310 AromaticContact CE2-CD1 3.5Å; F304-W310 AromaticContact CE2-CD2 3.9Å; F304-W310 HydrophobicContact CE2-CD2 3.9Å; F304-W310 AromaticContact CE2-CE2 3.62Å; F304-W310 AromaticContact CE2-CG 3.87Å; F304-W310 HydrophobicContact CE2-CG 3.87Å; F304-W310 HydrophobicContact CE2-CZ2 4.27Å; F304-W310 AromaticContact CE2-NE1 3.36Å; F304-W310 HydrophobicContact CG-CD2 4.39Å; F304-W310 HydrophobicContact CG-CH2 4.16Å; F304-W310 AromaticContact CG-CZ2 3.96Å; F304-W310 HydrophobicContact CG-CZ2 3.96Å; F304-W310 HydrophobicContact CG-CZ3 4.45Å; F304-W310 AromaticContact CZ-NE1 3.86Å; W310-V313 HydrophobicContact CE3-CB 4.14Å; W310-V313 HydrophobicContact CE3-CG1 4.12Å; W310-V313 HydrophobicContact CE3-CG2 4.25Å; W310-V313 HydrophobicContact CZ3-CG1 4.19Å; W310-F314 WeakPolarHBondContact O-CB 3.39Å; W310-F314 PolarHBondContact O-N 2.89Å
311	R	93	Very high	93.7	Very high	56 Å²	56	36.8 Å²	36.8	21%	0.211	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-48.2	175.8	170	-178.3	175.6	-81.9	4.4	111.5	D152 F166 N309 F314 W315 M481	D152-R311 IonicContact OD1-CZ 3.95Å; D152-R311 VanDerWaalsContact OD1-CZ 3.29Å; D152-R311 IonicContact OD1-NE 2.78Å; D152-R311 PolarHBondContact OD1-NE 3.41Å; D152-R311 IonicContact OD1-NH2 2.77Å; D152-R311 PolarHBondContact OD1-NH2 3.05Å; D152-R311 IonicContact OD2-NH2 3.16Å; F166-R311 HydrophobicContact CD1-CB 4.35Å; F166-R311 HydrophobicContact CD2-CB 3.6Å; F166-R311 HydrophobicContact CD2-CG 4.21Å; F166-R311 HydrophobicContact CE1-CB 4.35Å; F166-R311 HydrophobicContact CE1-CG 4.1Å; F166-R311 HydrophobicContact CE2-CB 3.62Å; F166-R311 HydrophobicContact CE2-CG 3.72Å; F166-R311 HydrophobicContact CG-CB 4Å; F166-R311 HydrophobicContact CZ-CB 4Å; F166-R311 HydrophobicContact CZ-CG 3.66Å; N309-R311 VanDerWaalsContact C-N 3.25Å; N309-R311 PolarHBondContact O-N 3.04Å; N309-R311 WeakPolarHBondContact OD1-CB 3.02Å; N309-R311 PolarHBondContact OD1-N 3.2Å; R311-F314 WeakPolarHBondContact O-CB 3.46Å; R311-F314 PolarHBondContact O-N 3.02Å; R311-W315 PolarHBondContact O-N 3.36Å; R311-W315 VanDerWaalsContact O-N 3.09Å; R311-M481 VanDerWaalsContact NH2-CE 3.27Å
312	D	93.2	Very high	93.8	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.16	18%	0.177	C	C	.	.	H	α-helix	trans	-72.1	-35.7	-177.6	-66.4	-12.4	0	0	0	110.6	N309 F314 W315 K316 W485	N309-D312 PolarHBondContact ND2-OD2 3.03Å; N309-D312 PolarHBondContact O-N 3.43Å; N309-D312 WeakPolarHBondContact OD1-CB 3.33Å; N309-D312 PolarHBondContact OD1-N 3.37Å; N309-D312 PolarHBondContact OD1-OD1 3.44Å; N309-D312 PolarHBondContact OD1-OD2 3.32Å; D312-F314 VanDerWaalsContact C-N 3.33Å; D312-F314 PolarHBondContact O-N 2.88Å; D312-W315 PolarHBondContact O-N 3.1Å; D312-K316 VanDerWaalsContact O-CB 3.24Å; D312-K316 WeakPolarHBondContact O-CB 3.36Å; D312-K316 PolarHBondContact O-N 3.02Å; D312-W485 HydrophobicContact CB-CZ2 4.35Å
313	V	95.5	Very high	93.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-45	170.6	-178.5	0	0	0	0	111.2	I170 L300 W303 F304 N309 W310 K316 L317	I170-V313 HydrophobicContact CD1-CB 4.11Å; I170-V313 HydrophobicContact CD1-CG1 3.87Å; L300-V313 HydrophobicContact CD2-CG1 3.88Å; W303-V313 HydrophobicContact CB-CG1 4.24Å; W303-V313 HydrophobicContact CB-CG2 4.08Å; W303-V313 HydrophobicContact CE3-CG1 4.3Å; F304-V313 HydrophobicContact CB-CG2 4.03Å; F304-V313 HydrophobicContact CD2-CG2 4.4Å; N309-V313 WeakPolarHBondContact O-CG2 3.49Å; W310-V313 HydrophobicContact CE3-CB 4.14Å; W310-V313 HydrophobicContact CE3-CG1 4.12Å; W310-V313 HydrophobicContact CE3-CG2 4.25Å; W310-V313 HydrophobicContact CZ3-CG1 4.19Å; V313-K316 PolarHBondContact O-N 2.97Å; V313-L317 WeakPolarHBondContact O-CB 3.49Å; V313-L317 PolarHBondContact O-N 3.32Å
314	F	95.4	Very high	93.9	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-51.2	176.4	170.3	-93	0	0	0	111.4	L148 F166 K169 I170 L173 W310 R311 D312 K316 L317 W318	L148-F314 HydrophobicContact CD1-CE1 4.35Å; L148-F314 HydrophobicContact CD1-CZ 4.12Å; L148-F314 HydrophobicContact CD2-CE1 3.64Å; L148-F314 HydrophobicContact CD2-CZ 3.56Å; F166-F314 HydrophobicContact CD1-CB 3.78Å; F166-F314 AromaticContact CD1-CD1 3.91Å; F166-F314 HydrophobicContact CD1-CD1 3.91Å; F166-F314 AromaticContact CD1-CG 3.79Å; F166-F314 HydrophobicContact CD1-CG 3.79Å; F166-F314 AromaticContact CE1-CD1 3.9Å; F166-F314 HydrophobicContact CE1-CD1 3.9Å; F166-F314 HydrophobicContact CE1-CG 4.28Å; K169-F314 HydrophobicContact CB-CD2 3.81Å; K169-F314 HydrophobicContact CB-CE2 3.67Å; I170-F314 HydrophobicContact CD1-CB 4.09Å; I170-F314 HydrophobicContact CG1-CB 3.81Å; I170-F314 HydrophobicContact CG1-CD2 4.01Å; I170-F314 HydrophobicContact CG1-CG 4.43Å; L173-F314 HydrophobicContact CD1-CD2 3.87Å; L173-F314 HydrophobicContact CD1-CE2 3.6Å; L173-F314 HydrophobicContact CD1-CZ 4.43Å; L173-F314 HydrophobicContact CG-CE2 4.08Å; W310-F314 WeakPolarHBondContact O-CB 3.39Å; W310-F314 PolarHBondContact O-N 2.89Å; R311-F314 WeakPolarHBondContact O-CB 3.46Å; R311-F314 PolarHBondContact O-N 3.02Å; D312-F314 VanDerWaalsContact C-N 3.33Å; D312-F314 PolarHBondContact O-N 2.88Å; F314-K316 VanDerWaalsContact C-N 3.31Å; F314-K316 PolarHBondContact O-N 3.03Å; F314-L317 PolarHBondContact O-N 3.47Å; F314-W318 WeakPolarHBondContact O-CB 3.29Å; F314-W318 PolarHBondContact O-N 3.39Å
315	W	95.1	Very high	93.9	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-32.8	-179.1	-72.5	118.3	0	0	0	112.6	L148 R311 D312 W318 A319 L474 H478 M481 W485	L148-W315 HydrophobicContact CB-CH2 4.4Å; L148-W315 HydrophobicContact CD1-CH2 4.2Å; R311-W315 PolarHBondContact O-N 3.36Å; R311-W315 VanDerWaalsContact O-N 3.09Å; D312-W315 PolarHBondContact O-N 3.1Å; W315-W318 HydrophobicContact CE3-CB 4.36Å; W315-W318 HydrophobicContact CE3-CD2 4.1Å; W315-W318 HydrophobicContact CE3-CE3 4.03Å; W315-W318 HydrophobicContact CE3-CG 4.25Å; W315-W318 HydrophobicContact CZ3-CD2 4.07Å; W315-W318 HydrophobicContact CZ3-CE3 4.25Å; W315-W318 HydrophobicContact CZ3-CG 4.34Å; W315-W318 PolarHBondContact O-N 2.86Å; W315-A319 VanDerWaalsContact O-CB 3.24Å; W315-A319 WeakPolarHBondContact O-CB 3.45Å; W315-A319 PolarHBondContact O-N 3.11Å; W315-L474 HydrophobicContact CH2-CD2 4.04Å; W315-H478 AromaticContact CE2-CE1 3.63Å; W315-H478 AromaticContact CE2-NE2 3.69Å; W315-H478 AromaticContact CH2-CD2 3.77Å; W315-H478 AromaticContact CH2-NE2 3.46Å; W315-H478 WeakPolarHBondContact CH2-NE2 3.23Å; W315-H478 AromaticContact CZ2-CD2 3.93Å; W315-H478 AromaticContact CZ2-CE1 3.62Å; W315-H478 AromaticContact CZ2-NE2 3.26Å; W315-H478 VanDerWaalsContact CZ2-NE2 3.26Å; W315-H478 WeakPolarHBondContact CZ2-NE2 3.36Å; W315-H478 AromaticContact CZ3-CD2 3.87Å; W315-H478 AromaticContact NE1-CE1 3.85Å; W315-M481 HydrophobicContact CB-SD 4.08Å; W315-M481 HydrophobicContact CG-SD 4.28Å; W315-W485 VanDerWaalsContact C-CH2 3.47Å; W315-W485 HydrophobicContact CB-CH2 3.68Å; W315-W485 HydrophobicContact CB-CZ2 4.46Å
316	K	95.7	Very high	93.9	Very high	31 Å²	31	26.3 Å²	26.3	14%	0.135	14%	0.143	C	C	.	.	H	α-helix	trans	-67	-42.8	175.1	-167.6	171.5	-177.4	179.9	0	111.4	W303 E306 D312 V313 F314 A319 T320 I336 W485	W303-K316 HydrophobicContact CB-CD 4.48Å; W303-K316 VanDerWaalsContact CD1-NZ 3.26Å; W303-K316 HydrophobicContact CD2-CD 3.76Å; W303-K316 HydrophobicContact CD2-CG 4.17Å; W303-K316 HydrophobicContact CE3-CB 4.41Å; W303-K316 HydrophobicContact CE3-CD 4.25Å; W303-K316 HydrophobicContact CE3-CG 4.22Å; W303-K316 HydrophobicContact CG-CD 3.87Å; W303-K316 HydrophobicContact CH2-CG 4.33Å; W303-K316 HydrophobicContact CZ2-CD 4.41Å; W303-K316 HydrophobicContact CZ2-CG 4.28Å; W303-K316 HydrophobicContact CZ3-CG 4.31Å; E306-K316 IonicContact OE2-NZ 2.81Å; E306-K316 PolarHBondContact OE2-NZ 3.23Å; D312-K316 VanDerWaalsContact O-CB 3.24Å; D312-K316 WeakPolarHBondContact O-CB 3.36Å; D312-K316 PolarHBondContact O-N 3.02Å; V313-K316 PolarHBondContact O-N 2.97Å; F314-K316 VanDerWaalsContact C-N 3.31Å; F314-K316 PolarHBondContact O-N 3.03Å; K316-A319 PolarHBondContact O-N 2.97Å; K316-T320 WeakPolarHBondContact O-CB 3.33Å; K316-T320 PolarHBondContact O-N 3.43Å; K316-T320 PolarHBondContact O-OG1 3.47Å; K316-I336 HydrophobicContact CG-CD1 4.03Å; K316-W485 HydrophobicContact CB-CD2 4.37Å; K316-W485 HydrophobicContact CB-CE3 4.12Å; K316-W485 HydrophobicContact CB-CH2 3.77Å; K316-W485 HydrophobicContact CB-CZ2 4.01Å; K316-W485 HydrophobicContact CB-CZ3 3.82Å; K316-W485 HydrophobicContact CD-CD2 4.32Å; K316-W485 HydrophobicContact CG-CD2 4.18Å; K316-W485 HydrophobicContact CG-CE3 4.01Å; K316-W485 HydrophobicContact CG-CZ3 4.21Å
317	L	96.3	Very high	94	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-47.4	172.8	-177.4	59.7	0	0	0	111.4	I170 L173 F174 A187 L190 L300 W303 V313 F314 A319 T320 I321	I170-L317 HydrophobicContact CG2-CD2 4.02Å; L173-L317 HydrophobicContact CB-CD2 4.25Å; L173-L317 HydrophobicContact CD1-CD2 3.94Å; L173-L317 HydrophobicContact CD1-CG 4.16Å; F174-L317 HydrophobicContact CD2-CD2 4.38Å; F174-L317 HydrophobicContact CE2-CD2 3.56Å; F174-L317 HydrophobicContact CZ-CD1 4.41Å; F174-L317 HydrophobicContact CZ-CD2 4Å; A187-L317 HydrophobicContact CB-CD1 4.07Å; A187-L317 HydrophobicContact CB-CD2 4.34Å; A187-L317 HydrophobicContact CB-CG 4.46Å; L190-L317 HydrophobicContact CD2-CD1 3.93Å; L300-L317 HydrophobicContact CD2-CD2 4.42Å; W303-L317 HydrophobicContact CZ3-CB 4.02Å; W303-L317 HydrophobicContact CZ3-CD1 4.19Å; V313-L317 WeakPolarHBondContact O-CB 3.49Å; V313-L317 PolarHBondContact O-N 3.32Å; F314-L317 PolarHBondContact O-N 3.47Å; L317-A319 VanDerWaalsContact C-N 3.31Å; L317-A319 PolarHBondContact O-N 3.4Å; L317-T320 WeakPolarHBondContact O-CB 3.34Å; L317-T320 PolarHBondContact O-N 3.42Å; L317-I321 HydrophobicContact CD1-CG2 4.22Å; L317-I321 WeakPolarHBondContact O-CG1 3.15Å; L317-I321 PolarHBondContact O-N 3.41Å
318	W	95.7	Very high	94	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57	-43	176.2	179.4	92	0	0	0	111.9	Y182 F314 W315 T320 I321 N322 I335 V471 L474 C475 I482	Y182-W318 PolarHBondContact O-NE1 3.36Å; F314-W318 WeakPolarHBondContact O-CB 3.29Å; F314-W318 PolarHBondContact O-N 3.39Å; W315-W318 HydrophobicContact CE3-CB 4.36Å; W315-W318 HydrophobicContact CE3-CD2 4.1Å; W315-W318 HydrophobicContact CE3-CE3 4.03Å; W315-W318 HydrophobicContact CE3-CG 4.25Å; W315-W318 HydrophobicContact CZ3-CD2 4.07Å; W315-W318 HydrophobicContact CZ3-CE3 4.25Å; W315-W318 HydrophobicContact CZ3-CG 4.34Å; W315-W318 PolarHBondContact O-N 2.86Å; W318-T320 VanDerWaalsContact C-N 3.29Å; W318-T320 PolarHBondContact O-N 2.95Å; W318-I321 PolarHBondContact O-N 3.34Å; W318-N322 VanDerWaalsContact CD1-ND2 3.27Å; W318-N322 PolarHBondContact NE1-ND2 3.46Å; W318-N322 WeakPolarHBondContact O-CB 3.32Å; W318-N322 PolarHBondContact O-N 3.24Å; W318-N322 VanDerWaalsContact O-N 3.13Å; W318-N322 PolarHBondContact O-ND2 3.08Å; W318-I335 HydrophobicContact CE3-CD1 4.48Å; W318-I335 HydrophobicContact CH2-CD1 3.64Å; W318-I335 HydrophobicContact CZ2-CD1 4.44Å; W318-I335 HydrophobicContact CZ3-CD1 3.67Å; W318-I335 HydrophobicContact CZ3-CG2 4.14Å; W318-V471 HydrophobicContact CH2-CG1 3.88Å; W318-V471 HydrophobicContact CZ2-CB 4.41Å; W318-V471 HydrophobicContact CZ2-CG1 3.62Å; W318-L474 HydrophobicContact CH2-CB 3.81Å; W318-L474 HydrophobicContact CZ2-CB 3.86Å; W318-L474 HydrophobicContact CZ2-CD1 4.08Å; W318-C475 HydrophobicContact CH2-CB 4.25Å; W318-I482 HydrophobicContact CZ3-CD1 4.48Å
319	A	95.9	Very high	94	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.2	-29.6	176.3	0	0	0	0	0	112.6	W315 K316 L317 I335 I336 I482 W485	W315-A319 VanDerWaalsContact O-CB 3.24Å; W315-A319 WeakPolarHBondContact O-CB 3.45Å; W315-A319 PolarHBondContact O-N 3.11Å; K316-A319 PolarHBondContact O-N 2.97Å; L317-A319 VanDerWaalsContact C-N 3.31Å; L317-A319 PolarHBondContact O-N 3.4Å; A319-I335 HydrophobicContact CB-CB 4.12Å; A319-I335 HydrophobicContact CB-CG2 3.85Å; A319-I335 CarbonylContact O-C 3.5Å; A319-I335 WeakPolarHBondContact O-CA 3.47Å; A319-I335 WeakPolarHBondContact O-CB 3.39Å; A319-I335 PolarHBondContact O-N 2.94Å; A319-I335 VanDerWaalsContact O-N 3.08Å; A319-I336 HydrophobicContact CB-CB 4.13Å; A319-I336 HydrophobicContact CB-CD1 4.38Å; A319-I336 PolarHBondContact O-N 2.84Å; A319-I482 HydrophobicContact CB-CG1 4.45Å; A319-I482 HydrophobicContact CB-CG2 4.47Å; A319-W485 HydrophobicContact CB-CZ3 4.21Å
320	T	95.6	Very high	93.9	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-72.6	-38	177.4	-58.6	0	0	0	0	111.8	L190 L199 K316 L317 W318	L190-T320 HydrophobicContact CD1-CG2 4.26Å; L199-T320 HydrophobicContact CB-CG2 3.65Å; K316-T320 WeakPolarHBondContact O-CB 3.33Å; K316-T320 PolarHBondContact O-N 3.43Å; K316-T320 PolarHBondContact O-OG1 3.47Å; L317-T320 WeakPolarHBondContact O-CB 3.34Å; L317-T320 PolarHBondContact O-N 3.42Å; W318-T320 VanDerWaalsContact C-N 3.29Å; W318-T320 PolarHBondContact O-N 2.95Å
321	I	95.1	Very high	93.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-93.3	-9.2	-174.3	68.8	-175.4	0	0	0	114.1	L173 N185 A187 L190 T201 I204 L317 W318	L173-I321 HydrophobicContact CD1-CD1 4.26Å; L173-I321 HydrophobicContact CD2-CD1 4.16Å; N185-I321 WeakPolarHBondContact CB-O 3.28Å; N185-I321 PolarHBondContact ND2-O 3.03Å; A187-I321 HydrophobicContact CB-CD1 4.42Å; A187-I321 HydrophobicContact CB-CG2 4.05Å; L190-I321 HydrophobicContact CD1-CG2 4.31Å; T201-I321 HydrophobicContact CG2-CB 4.12Å; T201-I321 HydrophobicContact CG2-CG2 3.71Å; I204-I321 VanDerWaalsContact CD1-C 3.45Å; I204-I321 HydrophobicContact CD1-CB 4.47Å; I204-I321 WeakPolarHBondContact CD1-O 3.31Å; L317-I321 HydrophobicContact CD1-CG2 4.22Å; L317-I321 WeakPolarHBondContact O-CG1 3.15Å; L317-I321 PolarHBondContact O-N 3.41Å; W318-I321 PolarHBondContact O-N 3.34Å
322	N	95.6	Very high	93.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.			trans	-109.8	148.6	179.6	-69.5	-66.5	0	0	0	112	C183 P184 W318 P334 I335 V471	C183-N322 PolarHBondContact SG-ND2 3.41Å; C183-N322 VanDerWaalsContact SG-ND2 3.38Å; P184-N322 VanDerWaalsContact CD-OD1 3.27Å; P184-N322 WeakPolarHBondContact CD-OD1 3.22Å; W318-N322 VanDerWaalsContact CD1-ND2 3.27Å; W318-N322 PolarHBondContact NE1-ND2 3.46Å; W318-N322 WeakPolarHBondContact O-CB 3.32Å; W318-N322 PolarHBondContact O-N 3.24Å; W318-N322 VanDerWaalsContact O-N 3.13Å; W318-N322 PolarHBondContact O-ND2 3.08Å; N322-P334 WeakPolarHBondContact O-CA 3.36Å; N322-I335 HydrophobicContact CB-CD1 3.68Å; N322-I335 WeakPolarHBondContact O-CG1 3.24Å; N322-I335 PolarHBondContact O-N 3.46Å; N322-V471 HydrophobicContact CB-CG1 4.02Å
323	L	95.8	Very high	93.8	Very high	27 Å²	27	27.5 Å²	27.5	14%	0.141	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.8	-175.3	-59.6	-174.7	0	0	0	111.1	I204 I207 I208 F333 P334	I204-L323 HydrophobicContact CD1-CD2 4.41Å; I204-L323 HydrophobicContact CG1-CD1 4.27Å; I204-L323 HydrophobicContact CG1-CD2 4.19Å; I204-L323 HydrophobicContact CG1-CG 4.19Å; I204-L323 HydrophobicContact CG2-CD1 4.43Å; I204-L323 HydrophobicContact CG2-CD2 3.84Å; I207-L323 HydrophobicContact CB-CD1 4.27Å; I207-L323 HydrophobicContact CD1-CD1 3.75Å; I207-L323 HydrophobicContact CG2-CD1 3.98Å; I208-L323 HydrophobicContact CD1-CD1 4.48Å; I208-L323 HydrophobicContact CD1-CD2 4.02Å; I208-L323 HydrophobicContact CG1-CD2 4.1Å; L323-F333 WeakPolarHBondContact CA-O 3.42Å; L323-P334 HydrophobicContact CD2-CB 4.28Å; L323-P334 HydrophobicContact CD2-CG 4.11Å
324	Q	95	Very high	93.7	Very high	13 Å²	13	27.6 Å²	27.6	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.3	167.7	-75.4	-65.3	-45.3	0	0	110.8	Q332 F333 I335 L463 T472 C475	Q324-Q332 CarbonylContact O-C 3.43Å; Q324-Q332 VanDerWaalsContact O-CA 3.26Å; Q324-Q332 WeakPolarHBondContact O-CA 3.35Å; Q324-F333 HydrophobicContact CB-CE1 4Å; Q324-F333 HydrophobicContact CB-CZ 3.93Å; Q324-F333 PolarHBondContact N-O 3.34Å; Q324-F333 WeakPolarHBondContact O-CD1 3.41Å; Q324-F333 WeakPolarHBondContact O-CE1 3.28Å; Q324-F333 PolarHBondContact O-N 3.21Å; Q324-I335 HydrophobicContact CB-CG1 4.23Å; Q324-I335 HydrophobicContact CG-CD1 3.78Å; Q324-I335 HydrophobicContact CG-CG1 3.56Å; Q324-L463 HydrophobicContact CB-CD2 3.84Å; Q324-L463 HydrophobicContact CG-CD2 3.99Å; Q324-T472 PolarHBondContact NE2-OG1 3.31Å; Q324-T472 PolarHBondContact OE1-OG1 3.35Å; Q324-C475 HydrophobicContact CG-CB 4.46Å
325	L	94.7	Very high	93.8	Very high	94 Å²	94	27.3 Å²	27.3	49%	0.492	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.4	175.1	-177	70.6	0	0	0	109.6	G330 Q332	L325-G330 WeakPolarHBondContact CD1-O 3.44Å; L325-Q332 HydrophobicContact CB-CG 4.46Å; L325-Q332 HydrophobicContact CD1-CG 3.8Å
326	C	94	Very high	93.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.148	C	C	.	.			trans	-83.7	123.2	178.1	-176.1	0	0	0	0	111.4	R328 C329 G330 Q331 F333 H461 I462	C326-R328 PolarHBondContact O-N 3.29Å; C326-R328 PolarHBondContact SG-N 3.4Å; C326-R328 VanDerWaalsContact SG-N 3.41Å; C326-C329 WeakPolarHBondContact CB-SG 3.13Å; C326-G330 WeakPolarHBondContact O-CA 3.3Å; C326-G330 PolarHBondContact O-N 3.04Å; C326-Q331 PolarHBondContact N-O 3.28Å; C326-F333 HydrophobicContact CB-CD1 4Å; C326-F333 HydrophobicContact CB-CE1 3.72Å; C326-H461 HydrophobicContact CB-CB 4.32Å; C326-H461 VanDerWaalsContact CB-ND1 3.34Å; C326-H461 WeakPolarHBondContact CB-ND1 3.48Å; C326-H461 PolarHBondContact SG-ND1 3.04Å; C326-H461 VanDerWaalsContact SG-ND1 3.43Å; C326-I462 WeakPolarHBondContact CA-O 3.46Å; C326-I462 PolarHBondContact SG-N 3.34Å; C326-I462 VanDerWaalsContact SG-N 3.38Å
327	K	92.2	Very high	93.6	Very high	86 Å²	86	29.4 Å²	29.4	37%	0.374	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.3	173.4	-75.2	-175.7	171.3	173	0	113.3	I462 N464 D466	K327-I462 HydrophobicContact CB-CB 4.18Å; K327-I462 HydrophobicContact CB-CG2 4Å; K327-I462 HydrophobicContact CD-CG2 4.34Å; K327-I462 PolarHBondContact N-O 3.26Å; K327-N464 VanDerWaalsContact CE-CG 3.46Å; K327-N464 WeakPolarHBondContact CE-OD1 3.19Å; K327-N464 PolarHBondContact NZ-OD1 2.9Å; K327-D466 IonicContact NZ-OD2 3.48Å
328	R	90.2	Very high	93.4	Very high	67 Å²	67	29.6 Å²	29.6	25%	0.253	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-53.8	-175.9	-179.4	177.9	-75.3	172	-10.9	112.9	C326 C342 Y344 S459 E460 I462	C326-R328 PolarHBondContact O-N 3.29Å; C326-R328 PolarHBondContact SG-N 3.4Å; C326-R328 VanDerWaalsContact SG-N 3.41Å; R328-C342 VanDerWaalsContact CD-SG 3.56Å; R328-Y344 HydrophobicContact CG-CD1 4.01Å; R328-Y344 HydrophobicContact CG-CD2 3.78Å; R328-Y344 HydrophobicContact CG-CE1 4.45Å; R328-Y344 HydrophobicContact CG-CE2 4.21Å; R328-Y344 HydrophobicContact CG-CG 3.67Å; R328-S459 VanDerWaalsContact NH1-C 3.28Å; R328-S459 PolarHBondContact NH1-OG 2.61Å; R328-E460 PolarHBondContact NH1-O 3.45Å; R328-I462 HydrophobicContact CB-CB 4.35Å; R328-I462 HydrophobicContact CB-CD1 4Å; R328-I462 HydrophobicContact CB-CG1 4.03Å
329	C	87.9	Confident	93	Very high	31 Å²	31	29.9 Å²	29.9	21%	0.209	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-9.6	-179.4	67.3	0	0	0	0	113.6	C326 Q331 C342	C326-C329 WeakPolarHBondContact CB-SG 3.13Å; C329-Q331 HydrophobicContact CB-CG 4.4Å; C329-Q331 PolarHBondContact O-N 2.9Å; C329-C342 HydrophobicContact CB-CB 3.89Å; C329-C342 VanDerWaalsContact SG-CB 3.59Å
330	G	87.8	Confident	92.6	Very high	35 Å²	35	31.9 Å²	31.9	36%	0.361	17%	0.165	S	C	.	.			trans	70.2	4.9	-176.9	0	0	0	0	0	114.6	L325 C326	L325-G330 WeakPolarHBondContact CD1-O 3.44Å; C326-G330 WeakPolarHBondContact O-CA 3.3Å; C326-G330 PolarHBondContact O-N 3.04Å
331	Q	88.5	Confident	92.1	Very high	88 Å²	88	32.1 Å²	32.1	41%	0.411	17%	0.168	S	C	.	.			trans	-93.8	148.3	-177.7	-58.3	-58.9	-47.1	0	0	111.7	C326 C329	C326-Q331 PolarHBondContact N-O 3.28Å; C329-Q331 HydrophobicContact CB-CG 4.4Å; C329-Q331 PolarHBondContact O-N 2.9Å
332	Q	93.1	Very high	91.9	Very high	91 Å²	91	32.3 Å²	32.3	43%	0.425	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.8	164.4	-70.2	-174.9	-34.5	0	0	109.8	I207 I208 Q324 L325	I207-Q332 HydrophobicContact CG2-CB 4.1Å; I208-Q332 HydrophobicContact CD1-CB 4.49Å; I208-Q332 VanDerWaalsContact CD1-O 3.26Å; I208-Q332 WeakPolarHBondContact CD1-O 3.12Å; Q324-Q332 CarbonylContact O-C 3.43Å; Q324-Q332 VanDerWaalsContact O-CA 3.26Å; Q324-Q332 WeakPolarHBondContact O-CA 3.35Å; L325-Q332 HydrophobicContact CB-CG 4.46Å; L325-Q332 HydrophobicContact CD1-CG 3.8Å
333	F	94	Very high	91.5	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.8	-179.1	64.8	-77.2	0	0	0	110.2	L323 Q324 C326 E337 L338 H461 L463	L323-F333 WeakPolarHBondContact CA-O 3.42Å; Q324-F333 HydrophobicContact CB-CE1 4Å; Q324-F333 HydrophobicContact CB-CZ 3.93Å; Q324-F333 PolarHBondContact N-O 3.34Å; Q324-F333 WeakPolarHBondContact O-CD1 3.41Å; Q324-F333 WeakPolarHBondContact O-CE1 3.28Å; Q324-F333 PolarHBondContact O-N 3.21Å; C326-F333 HydrophobicContact CB-CD1 4Å; C326-F333 HydrophobicContact CB-CE1 3.72Å; F333-E337 HydrophobicContact CD2-CB 4.36Å; F333-L338 HydrophobicContact CE2-CB 4.17Å; F333-L338 HydrophobicContact CE2-CD1 4.03Å; F333-L338 HydrophobicContact CZ-CD1 4.05Å; F333-H461 AromaticContact CD1-CE1 3.54Å; F333-H461 AromaticContact CD1-CG 3.97Å; F333-H461 AromaticContact CD1-ND1 3.22Å; F333-H461 WeakPolarHBondContact CD1-ND1 3.44Å; F333-H461 AromaticContact CD2-CE1 3.93Å; F333-H461 AromaticContact CD2-ND1 3.94Å; F333-H461 HydrophobicContact CE1-CB 3.79Å; F333-H461 AromaticContact CE1-CG 3.71Å; F333-H461 AromaticContact CE1-ND1 3.3Å; F333-H461 VanDerWaalsContact CE1-ND1 3.3Å; F333-H461 WeakPolarHBondContact CE1-ND1 3.41Å; F333-H461 HydrophobicContact CE2-CB 3.92Å; F333-H461 AromaticContact CE2-CG 3.8Å; F333-H461 AromaticContact CG-CE1 3.48Å; F333-H461 VanDerWaalsContact CG-CE1 3.48Å; F333-H461 WeakPolarHBondContact CG-CE1 3.28Å; F333-H461 AromaticContact CG-ND1 3.58Å; F333-H461 HydrophobicContact CZ-CB 3.43Å; F333-H461 VanDerWaalsContact CZ-CB 3.43Å; F333-H461 AromaticContact CZ-CG 3.62Å; F333-H461 AromaticContact CZ-ND1 3.72Å; F333-L463 HydrophobicContact CZ-CD2 4.05Å
334	P	95.3	Very high	91.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.6	168	-21.8	34.8	0	0	0	110.4	I208 N322 L323 I336 E337	I208-P334 HydrophobicContact CD1-CG 4.39Å; I208-P334 HydrophobicContact CG1-CG 4.1Å; I208-P334 HydrophobicContact CG2-CG 4.48Å; N322-P334 WeakPolarHBondContact O-CA 3.36Å; L323-P334 HydrophobicContact CD2-CB 4.28Å; L323-P334 HydrophobicContact CD2-CG 4.11Å; P334-I336 HydrophobicContact CB-CG2 3.85Å; P334-I336 PolarHBondContact O-N 2.95Å; P334-I336 VanDerWaalsContact O-N 3.1Å; P334-E337 HydrophobicContact CB-CG 4.34Å; P334-E337 HydrophobicContact CG-CG 4.44Å; P334-E337 WeakPolarHBondContact O-CB 3.24Å; P334-E337 PolarHBondContact O-N 2.77Å
335	I	95.9	Very high	90.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-58.1	-30	-177.2	-68.3	171.3	0	0	0	111.7	W318 A319 N322 Q324 E337 L338 V471 C475 I482	W318-I335 HydrophobicContact CE3-CD1 4.48Å; W318-I335 HydrophobicContact CH2-CD1 3.64Å; W318-I335 HydrophobicContact CZ2-CD1 4.44Å; W318-I335 HydrophobicContact CZ3-CD1 3.67Å; W318-I335 HydrophobicContact CZ3-CG2 4.14Å; A319-I335 HydrophobicContact CB-CB 4.12Å; A319-I335 HydrophobicContact CB-CG2 3.85Å; A319-I335 CarbonylContact O-C 3.5Å; A319-I335 WeakPolarHBondContact O-CA 3.47Å; A319-I335 WeakPolarHBondContact O-CB 3.39Å; A319-I335 PolarHBondContact O-N 2.94Å; A319-I335 VanDerWaalsContact O-N 3.08Å; N322-I335 HydrophobicContact CB-CD1 3.68Å; N322-I335 WeakPolarHBondContact O-CG1 3.24Å; N322-I335 PolarHBondContact O-N 3.46Å; Q324-I335 HydrophobicContact CB-CG1 4.23Å; Q324-I335 HydrophobicContact CG-CD1 3.78Å; Q324-I335 HydrophobicContact CG-CG1 3.56Å; I335-E337 PolarHBondContact O-N 2.84Å; I335-E337 VanDerWaalsContact O-N 3.15Å; I335-L338 WeakPolarHBondContact O-CB 3.32Å; I335-L338 PolarHBondContact O-N 3.42Å; I335-V471 HydrophobicContact CD1-CG1 3.83Å; I335-C475 HydrophobicContact CD1-CB 4.21Å; I335-C475 VanDerWaalsContact CG2-SG 3.56Å; I335-I482 HydrophobicContact CG2-CD1 3.74Å; I335-I482 HydrophobicContact CG2-CG2 4.11Å; I335-I482 VanDerWaalsContact O-CG2 3.3Å; I335-I482 WeakPolarHBondContact O-CG2 3.44Å
336	I	94.5	Very high	90.2	Very high	39 Å²	39	34.6 Å²	34.6	20%	0.2	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.4	-25	174.9	-168.7	60.4	0	0	0	113.1	K316 A319 P334 L338 W485	K316-I336 HydrophobicContact CG-CD1 4.03Å; A319-I336 HydrophobicContact CB-CB 4.13Å; A319-I336 HydrophobicContact CB-CD1 4.38Å; A319-I336 PolarHBondContact O-N 2.84Å; P334-I336 HydrophobicContact CB-CG2 3.85Å; P334-I336 PolarHBondContact O-N 2.95Å; P334-I336 VanDerWaalsContact O-N 3.1Å; I336-L338 VanDerWaalsContact C-N 3.3Å; I336-L338 PolarHBondContact O-N 2.76Å; I336-W485 HydrophobicContact CD1-CB 4.36Å; I336-W485 HydrophobicContact CD1-CD2 4.39Å; I336-W485 HydrophobicContact CD1-CE3 3.52Å; I336-W485 HydrophobicContact CD1-CZ3 4.22Å
337	E	92.2	Very high	89.8	Confident	37 Å²	37	38.7 Å²	38.7	17%	0.173	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-85.8	4.9	177.1	-57.6	-176.9	-179.3	0	0	112.8	K198 F333 P334 I335 G339 D340	K198-E337 WeakPolarHBondContact CD-OE1 3.43Å; K198-E337 VanDerWaalsContact CE-OE1 3.28Å; K198-E337 WeakPolarHBondContact CE-OE1 3.34Å; K198-E337 IonicContact NZ-OE1 2.77Å; K198-E337 PolarHBondContact NZ-OE1 3.23Å; K198-E337 IonicContact NZ-OE2 3.81Å; K198-E337 PolarHBondContact NZ-OE2 3.25Å; F333-E337 HydrophobicContact CD2-CB 4.36Å; P334-E337 HydrophobicContact CB-CG 4.34Å; P334-E337 HydrophobicContact CG-CG 4.44Å; P334-E337 WeakPolarHBondContact O-CB 3.24Å; P334-E337 PolarHBondContact O-N 2.77Å; I335-E337 PolarHBondContact O-N 2.84Å; I335-E337 VanDerWaalsContact O-N 3.15Å; E337-G339 VanDerWaalsContact C-N 3.28Å; E337-G339 PolarHBondContact O-N 3.47Å; E337-D340 HydrophobicContact CB-CB 4.5Å; E337-D340 WeakPolarHBondContact O-CB 3.5Å; E337-D340 PolarHBondContact O-N 3.31Å
338	L	92.1	Very high	89.5	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-42.8	-177.6	-179.7	62.5	0	0	0	112.7	F333 I335 I336 H461 L463 R479 I482 M483	F333-L338 HydrophobicContact CE2-CB 4.17Å; F333-L338 HydrophobicContact CE2-CD1 4.03Å; F333-L338 HydrophobicContact CZ-CD1 4.05Å; I335-L338 WeakPolarHBondContact O-CB 3.32Å; I335-L338 PolarHBondContact O-N 3.42Å; I336-L338 VanDerWaalsContact C-N 3.3Å; I336-L338 PolarHBondContact O-N 2.76Å; L338-H461 HydrophobicContact CD1-CB 4.04Å; L338-L463 HydrophobicContact CD1-CD1 4.23Å; L338-L463 HydrophobicContact CD1-CD2 4.13Å; L338-L463 HydrophobicContact CD1-CG 4.1Å; L338-L463 HydrophobicContact CD2-CD1 4.3Å; L338-R479 HydrophobicContact CD2-CB 4.44Å; L338-R479 HydrophobicContact CD2-CG 4.03Å; L338-I482 HydrophobicContact CB-CG2 4.08Å; L338-I482 HydrophobicContact CD2-CG2 4.3Å; L338-M483 HydrophobicContact CD2-CG 4.31Å; L338-M483 HydrophobicContact CG-CG 4.19Å
339	G	87.6	Confident	89.2	Confident	6 Å²	6	35.2 Å²	35.2	6%	0.062	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.5	179	0	0	0	0	0	114.6	E337 G341 S486	E337-G339 VanDerWaalsContact C-N 3.28Å; E337-G339 PolarHBondContact O-N 3.47Å; G339-G341 PolarHBondContact O-N 2.86Å; G339-S486 WeakPolarHBondContact CA-OG 3.02Å
340	D	87.4	Confident	89.2	Confident	43 Å²	43	38 Å²	38	23%	0.23	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-32.1	177.6	-68.3	-21.7	0	0	0	111	E337 R458	E337-D340 HydrophobicContact CB-CB 4.5Å; E337-D340 WeakPolarHBondContact O-CB 3.5Å; E337-D340 PolarHBondContact O-N 3.31Å; D340-R458 PolarHBondContact O-NE 3.5Å; D340-R458 PolarHBondContact O-NH2 3.09Å
341	G	86.3	Confident	89.2	Confident	7 Å²	7	40.4 Å²	40.4	7%	0.072	22%	0.215	C	C	.	.			trans	79.6	162.9	-177.8	0	0	0	0	0	113.9	G339 R458 S459 H461	G339-G341 PolarHBondContact O-N 2.86Å; G341-R458 PolarHBondContact O-NH2 3.35Å; G341-S459 CarbonylContact C-O 3.47Å; G341-S459 WeakPolarHBondContact CA-O 3.26Å; G341-H461 VanDerWaalsContact C-CD2 3.47Å; G341-H461 PolarHBondContact O-NE2 3.08Å
342	C	89.4	Confident	88.8	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.034	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	154.1	-177.3	70.1	0	0	0	0	112.7	R328 C329 R458 S459 H461	R328-C342 VanDerWaalsContact CD-SG 3.56Å; C329-C342 HydrophobicContact CB-CB 3.89Å; C329-C342 VanDerWaalsContact SG-CB 3.59Å; C342-R458 WeakPolarHBondContact O-CA 3.46Å; C342-S459 PolarHBondContact N-O 3.33Å; C342-S459 PolarHBondContact O-N 3.23Å; C342-S459 VanDerWaalsContact O-N 3.15Å; C342-H461 WeakPolarHBondContact CB-CE1 3.38Å
343	L	87.6	Confident	87.6	Confident	69 Å²	69	41.8 Å²	41.8	36%	0.361	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.7	166.1	-64.9	174.8	0	0	0	109.6	H457 R458	L343-H457 WeakPolarHBondContact CA-O 3.4Å; L343-R458 HydrophobicContact CD2-CB 4.01Å; L343-R458 HydrophobicContact CD2-CG 4.24Å
344	Y	86.7	Confident	85.7	Confident	48 Å²	48	47 Å²	47	19%	0.188	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	164.4	178.5	72	-70.9	0	0	0	111.8	R328 T346 G455 C456 H457	R328-Y344 HydrophobicContact CG-CD1 4.01Å; R328-Y344 HydrophobicContact CG-CD2 3.78Å; R328-Y344 HydrophobicContact CG-CE1 4.45Å; R328-Y344 HydrophobicContact CG-CE2 4.21Å; R328-Y344 HydrophobicContact CG-CG 3.67Å; Y344-T346 HydrophobicContact CE2-CG2 3.8Å; Y344-G455 CarbonylContact O-C 3.23Å; Y344-G455 WeakPolarHBondContact O-CA 3.46Å; Y344-C456 PolarHBondContact O-N 3.1Å; Y344-H457 HydrophobicContact CD1-CB 4.22Å; Y344-H457 WeakPolarHBondContact CD1-O 3.39Å; Y344-H457 HydrophobicContact CE1-CB 3.78Å; Y344-H457 PolarHBondContact N-O 3.33Å; Y344-H457 PolarHBondContact O-N 2.72Å
345	H	85.8	Confident	83.2	Confident	15 Å²	15	51 Å²	51	7%	0.069	29%	0.289	C	S	.	.			trans	-100.5	132.2	169.8	-69.5	-74.5	0	0	0	109.5	M347 Y437 C439 C440 T454 C456	H345-M347 VanDerWaalsContact C-N 3.27Å; H345-M347 PolarHBondContact O-N 3.14Å; H345-Y437 HydrophobicContact CB-CD1 3.49Å; H345-Y437 VanDerWaalsContact CB-CD1 3.49Å; H345-Y437 HydrophobicContact CB-CE1 3.63Å; H345-Y437 HydrophobicContact CB-CG 4.23Å; H345-Y437 AromaticContact CD2-CD1 3.6Å; H345-Y437 AromaticContact CD2-CD2 3.74Å; H345-Y437 AromaticContact CD2-CE1 3.34Å; H345-Y437 WeakPolarHBondContact CD2-CE1 3.49Å; H345-Y437 AromaticContact CD2-CE2 3.49Å; H345-Y437 VanDerWaalsContact CD2-CE2 3.49Å; H345-Y437 WeakPolarHBondContact CD2-CE2 3.4Å; H345-Y437 AromaticContact CD2-CG 3.78Å; H345-Y437 AromaticContact CD2-CZ 3.28Å; H345-Y437 AromaticContact CE1-CD2 3.61Å; H345-Y437 AromaticContact CE1-CG 3.69Å; H345-Y437 AromaticContact CG-CD1 3.35Å; H345-Y437 AromaticContact CG-CE1 3.51Å; H345-Y437 AromaticContact CG-CG 3.63Å; H345-Y437 AromaticContact CG-CZ 3.94Å; H345-Y437 AromaticContact ND1-CD1 3.77Å; H345-Y437 AromaticContact ND1-CD2 3.97Å; H345-Y437 AromaticContact ND1-CG 3.57Å; H345-Y437 AromaticContact NE2-CD2 3.44Å; H345-Y437 WeakPolarHBondContact NE2-CD2 3.45Å; H345-Y437 AromaticContact NE2-CE2 3.39Å; H345-Y437 WeakPolarHBondContact NE2-CE2 3.43Å; H345-Y437 AromaticContact NE2-CG 3.82Å; H345-Y437 AromaticContact NE2-CZ 3.73Å; H345-C439 PolarHBondContact ND1-SG 3.41Å; H345-C440 VanDerWaalsContact CE1-SG 3.58Å; H345-T454 PolarHBondContact CD2-O 2.98Å; H345-T454 VanDerWaalsContact NE2-C 3.3Å; H345-T454 PolarHBondContact NE2-O 3.41Å; H345-C456 PolarHBondContact ND1-N 3.42Å; H345-C456 PolarHBondContact ND1-SG 2.67Å
346	T	86.2	Confident	80.2	Confident	49 Å²	49	59.5 Å²	59.5	30%	0.301	33%	0.329	S	S	.	.	S	Bend	trans	-75.1	-17.9	179	48.5	0	0	0	0	113.3	Y344 C439 H457	Y344-T346 HydrophobicContact CE2-CG2 3.8Å; T346-C439 WeakPolarHBondContact OG1-CB 3.43Å; T346-H457 HydrophobicContact CG2-CB 4.2Å
347	M	84.9	Confident	77.3	Confident	87 Å²	87	65 Å²	65	43%	0.429	36%	0.358	S	S	.	.	S	Bend	trans	-127.7	143.5	-178.1	-61.7	-176	73.1	0	0	110	H345 Y437 P438	H345-M347 VanDerWaalsContact C-N 3.27Å; H345-M347 PolarHBondContact O-N 3.14Å; M347-Y437 WeakPolarHBondContact O-CD1 3.18Å; M347-P438 HydrophobicContact CB-CB 4.41Å; M347-P438 HydrophobicContact CB-CG 4.33Å; M347-P438 HydrophobicContact CE-CB 3.79Å; M347-P438 HydrophobicContact CE-CG 4.17Å; M347-P438 HydrophobicContact SD-CB 3.79Å
348	T	85.8	Confident	74.3	Confident	68 Å²	68	68.9 Å²	68.9	42%	0.417	38%	0.384	S	S	.	.			trans	-68.7	146.9	175.2	51	0	0	0	0	111.3	F402 C404 P438	T348-F402 HydrophobicContact CG2-CB 4.47Å; T348-C404 HydrophobicContact CG2-CB 3.71Å; T348-P438 VanDerWaalsContact O-CD 3.27Å; T348-P438 WeakPolarHBondContact O-CD 3.33Å
349	P	85.3	Confident	71.1	Confident	13 Å²	13	74.9 Å²	74.9	8%	0.084	42%	0.416	C	S	.	.			trans	-67.9	136.4	-179.2	29.7	-34	0	0	0	111.2	F402 F435 I436 Y437 L444	P349-F402 HydrophobicContact CG-CD1 4.16Å; P349-F402 HydrophobicContact CG-CE1 3.98Å; P349-F402 HydrophobicContact CG-CZ 4.42Å; P349-F435 HydrophobicContact CB-CB 3.88Å; P349-I436 CarbonylContact C-O 3.56Å; P349-I436 WeakPolarHBondContact CA-O 3.05Å; P349-Y437 HydrophobicContact CB-CD1 3.99Å; P349-Y437 HydrophobicContact CB-CE1 3.91Å; P349-Y437 HydrophobicContact CB-CG 4.38Å; P349-Y437 HydrophobicContact CG-CD1 4.46Å; P349-Y437 HydrophobicContact CG-CE1 3.95Å; P349-L444 HydrophobicContact CB-CD2 4Å; P349-L444 HydrophobicContact CG-CD2 3.81Å
350	I	86.6	Confident	68.1	Low	90 Å²	90	82.5 Å²	82.5	46%	0.462	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.1	178.8	61.8	174.1	0	0	0	111.2	F435 I436 P438	I350-F435 CarbonylContact O-C 3.12Å; I350-F435 WeakPolarHBondContact O-CA 3.46Å; I350-F435 WeakPolarHBondContact O-CB 3.41Å; I350-I436 PolarHBondContact N-O 3.02Å; I350-I436 PolarHBondContact O-N 3.28Å; I350-P438 HydrophobicContact CD1-CG 3.92Å; I350-P438 HydrophobicContact CG1-CG 3.92Å; I350-P438 HydrophobicContact CG2-CG 4Å
351	P	87.5	Confident	65.1	Low	85 Å²	85	86 Å²	86	55%	0.552	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	139.8	177.2	-19	29.3	0	0	0	112.6	Q353 D434 F435	P351-Q353 PolarHBondContact O-N 2.68Å; P351-D434 WeakPolarHBondContact CA-O 3.46Å; P351-F435 HydrophobicContact CB-CD1 4.28Å; P351-F435 HydrophobicContact CB-CE1 4.33Å; P351-F435 HydrophobicContact CG-CD1 3.95Å; P351-F435 HydrophobicContact CG-CE1 3.77Å
352	V	80.8	Confident	62.3	Low	43 Å²	43	92.7 Å²	92.7	26%	0.261	52%	0.518	S	S	.	.			trans	-80.4	105.9	176.5	-171.4	0	0	0	0	110.3	P433 D434 I436	V352-P433 HydrophobicContact CG2-CG 4.47Å; V352-P433 WeakPolarHBondContact CG2-O 3.34Å; V352-D434 PolarHBondContact N-O 3.39Å; V352-I436 HydrophobicContact CB-CD1 4.47Å; V352-I436 HydrophobicContact CG1-CD1 4.26Å; V352-I436 HydrophobicContact CG2-CB 4.2Å; V352-I436 HydrophobicContact CG2-CD1 3.39Å; V352-I436 HydrophobicContact CG2-CG1 3.44Å; V352-I436 VanDerWaalsContact CG2-CG1 3.44Å
353	Q	68.5	Low	59.1	Low	164 Å²	164	96.7 Å²	96.7	77%	0.766	55%	0.545	S	S	*	.			trans	-75	131.4	175.2	-62.3	-175.6	14.1	0	0	110.6	P351 S355	P351-Q353 PolarHBondContact O-N 2.68Å; Q353-S355 VanDerWaalsContact C-N 3.34Å; Q353-S355 PolarHBondContact O-N 3.28Å
354	S	54.2	Low	56.1	Low	113 Å²	113	98.7 Å²	98.7	79%	0.79	56%	0.56	S	S	*	*	S	Bend	trans	-85.8	19	-171	45.3	0	0	0	0	115.9
355	S	42.6	Very low	52.9	Low	86 Å²	86	106 Å²	106	60%	0.601	59%	0.593	S	S	*	*			trans	-113.2	8.9	-165	52.6	0	0	0	0	118	Q353	Q353-S355 VanDerWaalsContact C-N 3.34Å; Q353-S355 PolarHBondContact O-N 3.28Å
356	Q	33	Very low	50	Low	179 Å²	179	112 Å²	112	84%	0.836	63%	0.625	S	S	*	*			trans	-128.6	88	177.8	-65.6	-174.7	-1.8	0	0	112
357	L	32.8	Very low	46.9	Very low	155 Å²	155	118.1 Å²	118.1	81%	0.812	65%	0.651	S	S	*	*			trans	-173	64.7	156.9	-99.4	151.6	0	0	0	107.1
358	V	28.8	Very low	43.9	Very low	118 Å²	118	121.4 Å²	121.4	72%	0.715	67%	0.669	S	S	*	*			trans	-103.9	120.5	170.6	172.2	0	0	0	0	106.2
359	N	26	Very low	40.9	Very low	129 Å²	129	123 Å²	123	69%	0.69	68%	0.683	S	S	*	*			trans	71	90.6	159.1	-53.6	-10.6	0	0	0	117.4
360	N	24	Very low	37.9	Very low	166 Å²	166	129.4 Å²	129.4	89%	0.888	72%	0.722	S	S	*	*			trans	-139.5	65.6	138.6	-91.7	-19.3	0	0	0	108.2
361	T	24.1	Very low	34.8	Very low	118 Å²	118	128.8 Å²	128.8	72%	0.724	74%	0.738	S	S	*	*			trans	-112.5	82	165.9	0.8	0	0	0	0	107	S363	T361-S363 VanDerWaalsContact C-N 3.26Å; T361-S363 PolarHBondContact O-N 3.41Å
362	V	27.9	Very low	31.7	Very low	147 Å²	147	132.1 Å²	132.1	89%	0.891	75%	0.75	S	S	*	*			trans	-69.3	95.2	161.7	177.5	0	0	0	0	106.2
363	S	23.1	Very low	28.9	Very low	88 Å²	88	137.8 Å²	137.8	62%	0.615	78%	0.779	S	S	*	*			trans	-73.7	136.9	171.3	-81	0	0	0	0	110.8	T361	T361-S363 VanDerWaalsContact C-N 3.26Å; T361-S363 PolarHBondContact O-N 3.41Å
364	V	24.1	Very low	26.7	Very low	111 Å²	111	136.6 Å²	136.6	67%	0.673	78%	0.778	S	S	*	*			trans	61.5	96.1	130.2	-175.8	0	0	0	0	115.4
365	K	19.7	Very low	25	Very low	203 Å²	203	136 Å²	136	88%	0.883	77%	0.773	S	S	*	*				28.9	88.5	88.5	-77.3	-169.3	178.9	-177.2	0	114.1
366	N	23.8	Very low	23.9	Very low	139 Å²	139	140.3 Å²	140.3	74%	0.743	78%	0.783	S	S	*	*			trans	-155.8	113.1	147.8	-98.6	-6.1	0	0	0	110.5
367	E	21	Very low	23.5	Very low	178 Å²	178	140.6 Å²	140.6	83%	0.832	79%	0.79	S	S	*	*			trans	37.7	119.4	133.2	-58.1	-174.5	169.8	0	0	120.8
368	L	22.4	Very low	23	Very low	157 Å²	157	136.9 Å²	136.9	82%	0.822	79%	0.789	S	S	*	*				116.1	117.6	119.8	-152	64.6	0	0	0	117.4
369	S	23.3	Very low	22.6	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	79%	0.794	S	S	*	*			trans	70.9	113.5	150.6	-65	0	0	0	0	120.9
370	T	22.2	Very low	22.4	Very low	148 Å²	148	141.2 Å²	141.2	91%	0.908	80%	0.802	S	S	*	*			trans	-39.5	132.4	153.5	48	0	0	0	0	114.2
371	G	22.1	Very low	22.5	Very low	76 Å²	76	143.1 Å²	143.1	78%	0.784	80%	0.798	S	S	*	*			trans	166.1	69.8	171.2	0	0	0	0	0	110.9	D373	G371-D373 PolarHBondContact O-N 3.02Å
372	L	21.4	Very low	22.4	Very low	155 Å²	155	144.2 Å²	144.2	81%	0.812	80%	0.8	S	S	*	*			trans	-58.6	114.8	167.8	-167.5	83.3	0	0	0	108.1
373	D	21.4	Very low	22.2	Very low	162 Å²	162	143.3 Å²	143.3	87%	0.866	79%	0.79	S	S	*	*			trans	-148.6	115.5	148	-93.6	-30.5	0	0	0	110	G371	G371-D373 PolarHBondContact O-N 3.02Å
374	N	21.9	Very low	22.5	Very low	140 Å²	140	147 Å²	147	75%	0.749	80%	0.801	S	S	*	*			trans	-60.3	132.4	166.7	-70.8	-43.5	0	0	0	109.3
375	C	20	Very low	22.5	Very low	100 Å²	100	146.1 Å²	146.1	68%	0.676	80%	0.799	S	S	*	*				156.4	119.9	114.3	-88.9	0	0	0	0	110.8
376	Q	19.8	Very low	22.8	Very low	177 Å²	177	141.2 Å²	141.2	83%	0.827	79%	0.791	S	S	*	*			trans	64.2	107.9	133.1	-60.5	176.7	-4.5	0	0	117.1
377	L	24.5	Very low	23.1	Very low	185 Å²	185	143 Å²	143	97%	0.969	80%	0.799	S	S	*	*			trans	-160.9	110.7	138.2	-99.3	162.6	0	0	0	109.2
378	G	21.2	Very low	23.3	Very low	77 Å²	77	142.3 Å²	142.3	79%	0.794	80%	0.801	S	S	*	*			trans	87.9	89.7	143.6	0	0	0	0	0	118.3
379	D	20.1	Very low	23.3	Very low	156 Å²	156	145.6 Å²	145.6	83%	0.834	80%	0.802	S	S	*	*			trans	-62.3	141.1	152.9	-62.1	-56.5	0	0	0	111.5
380	E	22.2	Very low	23.5	Very low	182 Å²	182	151 Å²	151	85%	0.85	81%	0.813	S	S	*	*				162.2	104.9	125.7	-87.8	-176.7	162.4	0	0	113.9
381	Y	26.2	Very low	23.5	Very low	205 Å²	205	150.3 Å²	150.3	80%	0.804	81%	0.809	S	S	*	*			trans	50.7	119.5	131.9	-79	-89.3	0	0	0	124.3
382	D	22.1	Very low	23.7	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	80%	0.798	S	S	*	*				44.7	121.3	123.2	-66.8	-16.4	0	0	0	121.7
383	D	23.7	Very low	23.7	Very low	128 Å²	128	149.8 Å²	149.8	68%	0.684	80%	0.801	S	S	*	*				165	104.7	111.1	-167.8	6.7	0	0	0	111	S385	D383-S385 PolarHBondContact OD1-N 3.31Å; D383-S385 PolarHBondContact OD1-OG 3.4Å; D383-S385 VanDerWaalsContact OD1-OG 3.12Å
384	I	29	Very low	24.1	Very low	166 Å²	166	151.4 Å²	151.4	85%	0.851	80%	0.8	S	S	*	*			trans	-139.5	76.1	149.9	-54.6	-177	0	0	0	108.3	S386	I384-S386 PolarHBondContact O-N 2.93Å
385	S	24	Very low	24.2	Very low	91 Å²	91	154.4 Å²	154.4	64%	0.636	81%	0.807	S	S	*	*			trans	-68.8	102.2	152.3	54.4	0	0	0	0	110	D383	D383-S385 PolarHBondContact OD1-N 3.31Å; D383-S385 PolarHBondContact OD1-OG 3.4Å; D383-S385 VanDerWaalsContact OD1-OG 3.12Å
386	S	26.6	Very low	24.4	Very low	101 Å²	101	159.3 Å²	159.3	71%	0.706	82%	0.816	S	S	*	*			trans	-176.7	98.2	158.3	-84.9	0	0	0	0	111.3	I384	I384-S386 PolarHBondContact O-N 2.93Å
387	I	30.7	Very low	24.8	Very low	177 Å²	177	155.6 Å²	155.6	91%	0.908	81%	0.808	S	S	*	*			trans	178.1	77.7	138.5	-81.5	145.7	0	0	0	105.4
388	N	23.5	Very low	24.9	Very low	163 Å²	163	155.5 Å²	155.5	87%	0.872	80%	0.803	S	S	*	*			trans	-147.6	82.6	167.5	-121.2	-4.7	0	0	0	106.7
389	R	23.3	Very low	25.2	Very low	226 Å²	226	159.5 Å²	159.5	85%	0.853	81%	0.806	S	S	*	*			trans	-168.4	83.7	166.9	-123	-176.8	-94.5	163.9	-8	111.3
390	F	28.2	Very low	25.7	Very low	213 Å²	213	157.2 Å²	157.2	93%	0.934	79%	0.792	S	S	*	*			trans	-147.2	74.7	148.1	-89.7	-72.8	0	0	0	108.6
391	T	22.1	Very low	25.9	Very low	135 Å²	135	157 Å²	157	83%	0.828	79%	0.789	S	S	*	*			trans	-99.3	102.4	159.2	42.2	0	0	0	0	107.1
392	S	25.5	Very low	26.5	Very low	78 Å²	78	151.8 Å²	151.8	55%	0.545	77%	0.77	S	S	.	*			trans	-122	98.5	170.7	65.1	0	0	0	0	110.7	F394	S392-F394 PolarHBondContact O-N 3.37Å
393	T	22.8	Very low	27	Very low	141 Å²	141	151.3 Å²	151.3	87%	0.865	76%	0.763	S	S	*	*			trans	10.5	91.8	140.5	50.5	0	0	0	0	117.3
394	F	27.8	Very low	27.4	Very low	197 Å²	197	147.8 Å²	147.8	86%	0.864	75%	0.748	S	S	*	*			trans	-113.4	129.7	154	-84.4	-83.9	0	0	0	110	S392	S392-F394 PolarHBondContact O-N 3.37Å
395	K	24.1	Very low	27.5	Very low	203 Å²	203	146 Å²	146	88%	0.883	74%	0.739	S	S	*	*			trans	-53.2	142.4	-172.8	-69	174	174.2	178.3	0	112.5
396	K	24.1	Very low	27.6	Very low	202 Å²	202	148.9 Å²	148.9	88%	0.878	75%	0.747	S	S	*	*			trans	-45	122.1	172.3	-82.8	177.5	172.9	176.9	0	110.2	E398	K396-E398 PolarHBondContact O-N 3.09Å
397	P	29.1	Very low	27.7	Very low	100 Å²	100	147.4 Å²	147.4	65%	0.649	74%	0.741	S	S	*	*			trans	-69.8	132.8	171.1	27.1	-28.3	0	0	0	109.1
398	E	27.8	Very low	27.5	Very low	183 Å²	183	148.8 Å²	148.8	86%	0.855	74%	0.741	S	S	*	*			trans	-50.2	144.3	175	-66.9	168.7	162.4	0	0	111.3	K396 I400	K396-E398 PolarHBondContact O-N 3.09Å; E398-I400 PolarHBondContact O-N 2.85Å
399	N	27	Very low	27.8	Very low	160 Å²	160	146.8 Å²	146.8	86%	0.856	74%	0.737	S	S	*	*			trans	-48.7	95.5	-175.8	-76.5	-44.4	0	0	0	113	K401	N399-K401 PolarHBondContact O-N 3.12Å; N399-K401 VanDerWaalsContact O-N 3.09Å
400	I	29.8	Very low	27.9	Very low	108 Å²	108	144 Å²	144	55%	0.554	73%	0.733	S	S	*	*			trans	-66.7	106.1	153.7	-61.7	172	0	0	0	105.1	E398 F402	E398-I400 PolarHBondContact O-N 2.85Å; I400-F402 HydrophobicContact CB-CD2 4.38Å; I400-F402 HydrophobicContact CB-CE2 3.84Å; I400-F402 HydrophobicContact CB-CZ 4.27Å; I400-F402 HydrophobicContact CG2-CD2 4.16Å; I400-F402 HydrophobicContact CG2-CE1 4.2Å; I400-F402 HydrophobicContact CG2-CE2 3.69Å; I400-F402 HydrophobicContact CG2-CZ 3.71Å; I400-F402 WeakPolarHBondContact O-CD2 3.37Å; I400-F402 PolarHBondContact O-N 2.92Å
401	K	26.5	Very low	27.8	Very low	178 Å²	178	141.7 Å²	141.7	77%	0.774	73%	0.725	S	S	*	*			trans	-63.6	96.5	175.7	-87.5	-178.5	175.9	176.3	0	108.8	N399	N399-K401 PolarHBondContact O-N 3.12Å; N399-K401 VanDerWaalsContact O-N 3.09Å
402	F	39.4	Very low	27.9	Very low	95 Å²	95	143 Å²	143	42%	0.417	73%	0.726	S	S	.	*			trans	-79.3	118.1	163.4	-66.4	-80.6	0	0	0	108	T348 P349 I400 C404	T348-F402 HydrophobicContact CG2-CB 4.47Å; P349-F402 HydrophobicContact CG-CD1 4.16Å; P349-F402 HydrophobicContact CG-CE1 3.98Å; P349-F402 HydrophobicContact CG-CZ 4.42Å; I400-F402 HydrophobicContact CB-CD2 4.38Å; I400-F402 HydrophobicContact CB-CE2 3.84Å; I400-F402 HydrophobicContact CB-CZ 4.27Å; I400-F402 HydrophobicContact CG2-CD2 4.16Å; I400-F402 HydrophobicContact CG2-CE1 4.2Å; I400-F402 HydrophobicContact CG2-CE2 3.69Å; I400-F402 HydrophobicContact CG2-CZ 3.71Å; I400-F402 WeakPolarHBondContact O-CD2 3.37Å; I400-F402 PolarHBondContact O-N 2.92Å; F402-C404 VanDerWaalsContact C-N 3.32Å; F402-C404 PolarHBondContact O-N 3.09Å
403	H	32.2	Very low	28.1	Very low	132 Å²	132	148 Å²	148	61%	0.611	75%	0.746	S	S	*	*			trans	-74.7	83.9	175.8	-70.3	-75.9	0	0	0	110
404	C	32.3	Very low	28.5	Very low	55 Å²	55	146.3 Å²	146.3	37%	0.372	74%	0.739	S	S	.	*			trans	-130.6	95.2	159.2	-64	0	0	0	0	107.5	T348 F402	T348-C404 HydrophobicContact CG2-CB 3.71Å; F402-C404 VanDerWaalsContact C-N 3.32Å; F402-C404 PolarHBondContact O-N 3.09Å
405	I	29.9	Very low	28.4	Very low	128 Å²	128	145.8 Å²	145.8	66%	0.656	74%	0.737	S	S	*	*			trans	-81.1	120.3	171.4	-60.5	169.2	0	0	0	105.5
406	N	27.1	Very low	28.5	Very low	152 Å²	152	146.4 Å²	146.4	81%	0.813	74%	0.739	S	S	*	*			trans	88.1	80	177	-52.6	-22.1	0	0	0	116.8
407	A	28.7	Very low	28.6	Very low	70 Å²	70	145.2 Å²	145.2	58%	0.579	74%	0.737	S	S	*	*			trans	-144.8	110.2	142.8	0	0	0	0	0	108.8	P409	A407-P409 WeakPolarHBondContact O-CD 3.26Å
408	K	27	Very low	28.4	Very low	206 Å²	206	145.6 Å²	145.6	90%	0.896	74%	0.742	S	S	*	*			trans	-73.8	121.8	163	-75.5	-175	178.7	179.4	0	106.9	H410	K408-H410 PolarHBondContact O-N 2.78Å
409	P	28.7	Very low	28.3	Very low	121 Å²	121	145.2 Å²	145.2	79%	0.786	74%	0.74	S	S	*	*			trans	-85.8	94.1	-177.7	32	-28.8	0	0	0	108.7	A407	A407-P409 WeakPolarHBondContact O-CD 3.26Å
410	H	25.2	Very low	28.2	Very low	167 Å²	167	142.4 Å²	142.4	77%	0.773	73%	0.733	S	S	*	*			trans	-159.8	136.7	157.2	-130.2	-102.2	0	0	0	111.6	K408	K408-H410 PolarHBondContact O-N 2.78Å
411	E	26.9	Very low	27.9	Very low	165 Å²	165	143.8 Å²	143.8	77%	0.771	74%	0.742	S	S	*	*			trans	62.4	94.9	165.3	-76.3	164.5	-168.8	0	0	117.5
412	L	23.7	Very low	28	Very low	162 Å²	162	142.4 Å²	142.4	85%	0.848	74%	0.741	S	S	*	*			trans	-173.2	67.4	135	-92.6	-179.4	0	0	0	108.8
413	L	30.7	Very low	27.4	Very low	184 Å²	184	142.1 Å²	142.1	96%	0.963	75%	0.751	S	S	*	*			trans	-120.5	65	164	-77.3	173.7	0	0	0	108.9
414	S	29.6	Very low	27.1	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	76%	0.756	S	S	*	*			trans	-148.6	49.1	167.5	74.4	0	0	0	0	111.6
415	K	27.7	Very low	26.9	Very low	187 Å²	187	145.4 Å²	145.4	81%	0.813	77%	0.774	S	S	*	*			trans	-133.9	111.1	160.9	-82.8	-174.9	176.9	173.3	0	109.3	H417	K415-H417 VanDerWaalsContact C-N 3.33Å; K415-H417 PolarHBondContact O-N 2.9Å
416	K	24.7	Very low	26.8	Very low	215 Å²	215	143.2 Å²	143.2	94%	0.935	78%	0.783	S	S	*	*			trans	-56.6	91.1	172	-64	174.5	177.8	179.1	0	108.5
417	H	25.9	Very low	27	Very low	177 Å²	177	142.5 Å²	142.5	82%	0.819	78%	0.778	S	S	*	*			trans	-86.6	122.4	158	-98.6	-72.7	0	0	0	107.7	K415	K415-H417 VanDerWaalsContact C-N 3.33Å; K415-H417 PolarHBondContact O-N 2.9Å
418	S	25.7	Very low	27.1	Very low	109 Å²	109	143 Å²	143	76%	0.762	78%	0.778	S	S	*	*			trans	-41.4	133.8	-176.9	-34.4	0	0	0	0	112.5	S420	S418-S420 PolarHBondContact O-N 3.38Å
419	Q	25.2	Very low	27.5	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	78%	0.779	S	S	*	*			trans	-45.8	98.7	173	-65.8	156.8	-11.3	0	0	111.3	N421	Q419-N421 PolarHBondContact O-N 3.47Å
420	S	25.9	Very low	28.2	Very low	102 Å²	102	147.3 Å²	147.3	71%	0.713	78%	0.779	S	S	*	*			trans	-74.8	100.3	151	49.2	0	0	0	0	106.2	S418 I422	S418-S420 PolarHBondContact O-N 3.38Å; S420-I422 PolarHBondContact O-N 2.95Å
421	N	23.5	Very low	29.5	Very low	137 Å²	137	142.1 Å²	142.1	73%	0.733	76%	0.757	S	S	*	*			trans	-62.9	82.2	172.5	-73.1	-37.6	0	0	0	109.3	Q419 S423	Q419-N421 PolarHBondContact O-N 3.47Å; N421-S423 PolarHBondContact O-N 3.4Å
422	I	28.5	Very low	31.3	Very low	148 Å²	148	140.3 Å²	140.3	76%	0.759	75%	0.747	S	S	*	*			trans	-79.1	79.8	160.9	-57.4	176.3	0	0	0	105.5	S420 N424	S420-I422 PolarHBondContact O-N 2.95Å; I422-N424 PolarHBondContact O-N 2.77Å
423	S	26.7	Very low	33.6	Very low	89 Å²	89	134.6 Å²	134.6	62%	0.622	72%	0.719	S	S	*	*			trans	-62.4	124	166.4	40.3	0	0	0	0	108.4	N421 T425	N421-S423 PolarHBondContact O-N 3.4Å; S423-T425 PolarHBondContact O-N 2.86Å
424	N	25.7	Very low	36	Very low	137 Å²	137	129.4 Å²	129.4	73%	0.733	69%	0.693	S	S	*	*			trans	-46.7	94.8	177.5	-68.1	-41.5	0	0	0	112.6	I422	I422-N424 PolarHBondContact O-N 2.77Å
425	T	27.2	Very low	38.5	Very low	119 Å²	119	126.1 Å²	126.1	73%	0.73	67%	0.666	S	S	*	*			trans	-93.6	102.7	167	48.1	0	0	0	0	109.4	S423 L427	S423-T425 PolarHBondContact O-N 2.86Å; T425-L427 PolarHBondContact O-N 3.4Å
426	G	27.9	Very low	41.3	Very low	83 Å²	83	119.6 Å²	119.6	86%	0.856	64%	0.639	S	S	*	*			trans	66.5	6.3	142.6	0	0	0	0	0	121.2	S428	G426-S428 PolarHBondContact O-N 3.27Å; G426-S428 VanDerWaalsContact O-N 3.17Å
427	L	31.1	Very low	44.1	Very low	137 Å²	137	110.9 Å²	110.9	72%	0.717	60%	0.601	S	S	*	*			trans	-73.6	110.4	176.8	-68.1	171.8	0	0	0	110.9	T425 N431	T425-L427 PolarHBondContact O-N 3.4Å; L427-N431 HydrophobicContact CB-CB 4.3Å; L427-N431 HydrophobicContact CD2-CB 4.32Å
428	S	31.4	Very low	46.9	Very low	80 Å²	80	105 Å²	105	56%	0.559	58%	0.578	S	S	*	*			trans	-46.9	146.3	171.9	-173.1	0	0	0	0	111.6	G426 H430 N431	G426-S428 PolarHBondContact O-N 3.27Å; G426-S428 VanDerWaalsContact O-N 3.17Å; S428-H430 PolarHBondContact O-N 2.9Å; S428-N431 PolarHBondContact O-N 2.96Å
429	R	35.3	Very low	49.7	Very low	245 Å²	245	101.4 Å²	101.4	93%	0.925	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-45.6	-20	-176.2	-98.2	-179.6	173.4	-176.8	-2	115.6
430	H	42.5	Very low	52.5	Low	172 Å²	172	95.9 Å²	95.9	80%	0.796	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-85.8	-3	179.6	-69.5	-71.9	0	0	0	115.4	S428	S428-H430 PolarHBondContact O-N 2.9Å
431	N	53.9	Low	55.1	Low	58 Å²	58	93.2 Å²	93.2	31%	0.31	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-106.9	10.1	-176.1	-79.7	-14.1	0	0	0	115	L427 S428 E524	L427-N431 HydrophobicContact CB-CB 4.3Å; L427-N431 HydrophobicContact CD2-CB 4.32Å; S428-N431 PolarHBondContact O-N 2.96Å; N431-E524 PolarHBondContact ND2-OE1 2.8Å
432	K	63.8	Low	57.8	Low	128 Å²	128	89.3 Å²	89.3	56%	0.557	50%	0.504	S	S	*	.			trans	-76.7	126.6	176.3	-156.8	177.6	-171.4	-171.5	0	109.7
433	P	72.4	Confident	60.2	Low	41 Å²	41	84.4 Å²	84.4	27%	0.266	49%	0.491	S	S	.	.			trans	-67.1	142	177	29.4	-35.3	0	0	0	110.6	V352 F435 I436	V352-P433 HydrophobicContact CG2-CG 4.47Å; V352-P433 WeakPolarHBondContact CG2-O 3.34Å; P433-F435 VanDerWaalsContact C-N 3.33Å; P433-F435 WeakPolarHBondContact CB-O 3.36Å; P433-I436 HydrophobicContact CG-CD1 4.47Å; P433-I436 HydrophobicContact CG-CG1 4.08Å
434	D	80.6	Confident	62.7	Low	75 Å²	75	81.6 Å²	81.6	40%	0.401	47%	0.469	S	S	.	.	S	Bend	trans	-68.6	-36.3	177.4	-65.4	-59.5	0	0	0	111.4	P351 V352 L444 R446	P351-D434 WeakPolarHBondContact CA-O 3.46Å; V352-D434 PolarHBondContact N-O 3.39Å; D434-L444 PolarHBondContact N-O 3.17Å; D434-R446 HydrophobicContact CB-CB 4Å; D434-R446 WeakPolarHBondContact OD2-CB 3.44Å; D434-R446 PolarHBondContact OD2-N 3.02Å
435	F	83.9	Confident	65.2	Low	36 Å²	36	76.6 Å²	76.6	16%	0.158	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157	178.1	-54.5	-102.3	0	0	0	111.3	P349 I350 P351 P433 G443 L444 R446	P349-F435 HydrophobicContact CB-CB 3.88Å; I350-F435 CarbonylContact O-C 3.12Å; I350-F435 WeakPolarHBondContact O-CA 3.46Å; I350-F435 WeakPolarHBondContact O-CB 3.41Å; P351-F435 HydrophobicContact CB-CD1 4.28Å; P351-F435 HydrophobicContact CB-CE1 4.33Å; P351-F435 HydrophobicContact CG-CD1 3.95Å; P351-F435 HydrophobicContact CG-CE1 3.77Å; P433-F435 VanDerWaalsContact C-N 3.33Å; P433-F435 WeakPolarHBondContact CB-O 3.36Å; F435-G443 CarbonylContact O-C 3.6Å; F435-G443 WeakPolarHBondContact O-CA 3.48Å; F435-L444 HydrophobicContact CB-CB 4.25Å; F435-L444 PolarHBondContact N-O 3.08Å; F435-L444 PolarHBondContact O-N 3.23Å; F435-R446 HydrophobicContact CE2-CB 3.99Å; F435-R446 HydrophobicContact CE2-CG 4.2Å
436	I	84.8	Confident	67.3	Low	50 Å²	50	77.6 Å²	77.6	26%	0.256	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.2	174.6	-75.1	169.6	0	0	0	109	P349 I350 V352 P433 P438 S442	P349-I436 CarbonylContact C-O 3.56Å; P349-I436 WeakPolarHBondContact CA-O 3.05Å; I350-I436 PolarHBondContact N-O 3.02Å; I350-I436 PolarHBondContact O-N 3.28Å; V352-I436 HydrophobicContact CB-CD1 4.47Å; V352-I436 HydrophobicContact CG1-CD1 4.26Å; V352-I436 HydrophobicContact CG2-CB 4.2Å; V352-I436 HydrophobicContact CG2-CD1 3.39Å; V352-I436 HydrophobicContact CG2-CG1 3.44Å; V352-I436 VanDerWaalsContact CG2-CG1 3.44Å; P433-I436 HydrophobicContact CG-CD1 4.47Å; P433-I436 HydrophobicContact CG-CG1 4.08Å; I436-P438 VanDerWaalsContact O-CD 3.27Å; I436-P438 WeakPolarHBondContact O-CD 3.32Å; I436-S442 WeakPolarHBondContact CA-O 3.5Å
437	Y	83.8	Confident	69.2	Low	32 Å²	32	81.1 Å²	81.1	13%	0.125	43%	0.426	C	S	.	.			trans	-76.2	113.8	167	-72.5	-76.5	0	0	0	110.3	H345 M347 P349 C439 C440 G441 S442 L444	H345-Y437 HydrophobicContact CB-CD1 3.49Å; H345-Y437 VanDerWaalsContact CB-CD1 3.49Å; H345-Y437 HydrophobicContact CB-CE1 3.63Å; H345-Y437 HydrophobicContact CB-CG 4.23Å; H345-Y437 AromaticContact CD2-CD1 3.6Å; H345-Y437 AromaticContact CD2-CD2 3.74Å; H345-Y437 AromaticContact CD2-CE1 3.34Å; H345-Y437 WeakPolarHBondContact CD2-CE1 3.49Å; H345-Y437 AromaticContact CD2-CE2 3.49Å; H345-Y437 VanDerWaalsContact CD2-CE2 3.49Å; H345-Y437 WeakPolarHBondContact CD2-CE2 3.4Å; H345-Y437 AromaticContact CD2-CG 3.78Å; H345-Y437 AromaticContact CD2-CZ 3.28Å; H345-Y437 AromaticContact CE1-CD2 3.61Å; H345-Y437 AromaticContact CE1-CG 3.69Å; H345-Y437 AromaticContact CG-CD1 3.35Å; H345-Y437 AromaticContact CG-CE1 3.51Å; H345-Y437 AromaticContact CG-CG 3.63Å; H345-Y437 AromaticContact CG-CZ 3.94Å; H345-Y437 AromaticContact ND1-CD1 3.77Å; H345-Y437 AromaticContact ND1-CD2 3.97Å; H345-Y437 AromaticContact ND1-CG 3.57Å; H345-Y437 AromaticContact NE2-CD2 3.44Å; H345-Y437 WeakPolarHBondContact NE2-CD2 3.45Å; H345-Y437 AromaticContact NE2-CE2 3.39Å; H345-Y437 WeakPolarHBondContact NE2-CE2 3.43Å; H345-Y437 AromaticContact NE2-CG 3.82Å; H345-Y437 AromaticContact NE2-CZ 3.73Å; M347-Y437 WeakPolarHBondContact O-CD1 3.18Å; P349-Y437 HydrophobicContact CB-CD1 3.99Å; P349-Y437 HydrophobicContact CB-CE1 3.91Å; P349-Y437 HydrophobicContact CB-CG 4.38Å; P349-Y437 HydrophobicContact CG-CD1 4.46Å; P349-Y437 HydrophobicContact CG-CE1 3.95Å; Y437-C439 PolarHBondContact O-N 3.25Å; Y437-C439 VanDerWaalsContact O-N 3.1Å; Y437-C440 PolarHBondContact O-N 2.96Å; Y437-G441 WeakPolarHBondContact O-CA 3.31Å; Y437-G441 PolarHBondContact O-N 3.35Å; Y437-S442 WeakPolarHBondContact CD2-O 3.38Å; Y437-S442 PolarHBondContact N-O 3.27Å; Y437-L444 HydrophobicContact CE2-CB 4.07Å; Y437-L444 HydrophobicContact CE2-CD2 4.31Å
438	P	85.3	Confident	70.7	Confident	52 Å²	52	78 Å²	78	34%	0.338	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.6	-177.6	-21.1	32.6	0	0	0	113.8	M347 T348 I350 I436 C440	M347-P438 HydrophobicContact CB-CB 4.41Å; M347-P438 HydrophobicContact CB-CG 4.33Å; M347-P438 HydrophobicContact CE-CB 3.79Å; M347-P438 HydrophobicContact CE-CG 4.17Å; M347-P438 HydrophobicContact SD-CB 3.79Å; T348-P438 VanDerWaalsContact O-CD 3.27Å; T348-P438 WeakPolarHBondContact O-CD 3.33Å; I350-P438 HydrophobicContact CD1-CG 3.92Å; I350-P438 HydrophobicContact CG1-CG 3.92Å; I350-P438 HydrophobicContact CG2-CG 4Å; I436-P438 VanDerWaalsContact O-CD 3.27Å; I436-P438 WeakPolarHBondContact O-CD 3.32Å; P438-C440 VanDerWaalsContact C-N 3.26Å; P438-C440 PolarHBondContact O-N 3.29Å
439	C	84.3	Confident	72.1	Confident	34 Å²	34	79.3 Å²	79.3	23%	0.23	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.1	178.6	68.7	0	0	0	0	114.3	H345 T346 Y437 C456	H345-C439 PolarHBondContact ND1-SG 3.41Å; T346-C439 WeakPolarHBondContact OG1-CB 3.43Å; Y437-C439 PolarHBondContact O-N 3.25Å; Y437-C439 VanDerWaalsContact O-N 3.1Å; C439-C456 HydrophobicContact CB-CB 4.5Å; C439-C456 WeakPolarHBondContact CB-SG 3.44Å; C439-C456 WeakPolarHBondContact SG-CB 3.13Å; C439-C456 CovalentContact SG-SG 2.08Å; C439-C456 PolarHBondContact SG-SG 3.3Å
440	C	83.5	Confident	73.4	Confident	59 Å²	59	69.2 Å²	69.2	40%	0.399	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.5	-8	-169.2	61.3	0	0	0	0	114.4	H345 Y437 P438 S442 C456	H345-C440 VanDerWaalsContact CE1-SG 3.58Å; Y437-C440 PolarHBondContact O-N 2.96Å; P438-C440 VanDerWaalsContact C-N 3.26Å; P438-C440 PolarHBondContact O-N 3.29Å; C440-S442 PolarHBondContact O-N 2.99Å; C440-S442 WeakPolarHBondContact SG-CB 3.45Å; C440-S442 PolarHBondContact SG-N 2.95Å; C440-S442 VanDerWaalsContact SG-N 3.42Å; C440-S442 PolarHBondContact SG-OG 3.4Å; C440-C456 HydrophobicContact CB-CB 3.42Å; C440-C456 VanDerWaalsContact CB-CB 3.42Å; C440-C456 VanDerWaalsContact SG-CB 3.54Å
441	G	80.9	Confident	74.3	Confident	46 Å²	46	65.8 Å²	65.8	47%	0.474	37%	0.367	S	S	.	.			trans	79.8	-2.8	-175.4	0	0	0	0	0	114.8	Y437 G443	Y437-G441 WeakPolarHBondContact O-CA 3.31Å; Y437-G441 PolarHBondContact O-N 3.35Å; G441-G443 PolarHBondContact O-N 3.03Å
442	S	80.8	Confident	74.7	Confident	54 Å²	54	65 Å²	65	38%	0.378	36%	0.364	S	S	.	.			trans	-58.6	129.2	179.2	-66.6	0	0	0	0	111.7	I436 Y437 C440	I436-S442 WeakPolarHBondContact CA-O 3.5Å; Y437-S442 WeakPolarHBondContact CD2-O 3.38Å; Y437-S442 PolarHBondContact N-O 3.27Å; C440-S442 PolarHBondContact O-N 2.99Å; C440-S442 WeakPolarHBondContact SG-CB 3.45Å; C440-S442 PolarHBondContact SG-N 2.95Å; C440-S442 VanDerWaalsContact SG-N 3.42Å; C440-S442 PolarHBondContact SG-OG 3.4Å
443	G	79.6	Confident	74.7	Confident	46 Å²	46	64.3 Å²	64.3	47%	0.474	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.9	178.7	0	0	0	0	0	112.9	F435 G441	F435-G443 CarbonylContact O-C 3.6Å; F435-G443 WeakPolarHBondContact O-CA 3.48Å; G441-G443 PolarHBondContact O-N 3.03Å
444	L	78.7	Confident	74.6	Confident	30 Å²	30	65.5 Å²	65.5	16%	0.157	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.2	174.5	-179.9	68.7	0	0	0	109.6	P349 D434 F435 Y437	P349-L444 HydrophobicContact CB-CD2 4Å; P349-L444 HydrophobicContact CG-CD2 3.81Å; D434-L444 PolarHBondContact N-O 3.17Å; F435-L444 HydrophobicContact CB-CB 4.25Å; F435-L444 PolarHBondContact N-O 3.08Å; F435-L444 PolarHBondContact O-N 3.23Å; Y437-L444 HydrophobicContact CE2-CB 4.07Å; Y437-L444 HydrophobicContact CE2-CD2 4.31Å
445	S	76.7	Confident	74.5	Confident	31 Å²	31	62.9 Å²	62.9	22%	0.217	36%	0.36	C	S	.	.			trans	-77.2	141.4	170.6	179.1	0	0	0	0	110	F447	S445-F447 WeakPolarHBondContact CB-O 3.42Å; S445-F447 PolarHBondContact O-N 2.89Å; S445-F447 PolarHBondContact OG-N 3.36Å; S445-F447 PolarHBondContact OG-O 2.97Å
446	R	72.8	Confident	74.5	Confident	140 Å²	140	63.3 Å²	63.3	53%	0.528	37%	0.367	S	S	.	.	S	Bend	trans	-59	-33.2	173	-173.7	173.2	-173.8	143.6	1.4	111.7	D434 F435	D434-R446 HydrophobicContact CB-CB 4Å; D434-R446 WeakPolarHBondContact OD2-CB 3.44Å; D434-R446 PolarHBondContact OD2-N 3.02Å; F435-R446 HydrophobicContact CE2-CB 3.99Å; F435-R446 HydrophobicContact CE2-CG 4.2Å
447	F	66.8	Low	74.5	Confident	157 Å²	157	62.9 Å²	62.9	69%	0.689	36%	0.364	S	S	*	.	S	Bend	trans	-118	102.2	173.1	-61	-79.8	0	0	0	108.7	S445 Y527	S445-F447 WeakPolarHBondContact CB-O 3.42Å; S445-F447 PolarHBondContact O-N 2.89Å; S445-F447 PolarHBondContact OG-N 3.36Å; S445-F447 PolarHBondContact OG-O 2.97Å; F447-Y527 PolarHBondContact O-OH 3.13Å; F447-Y527 VanDerWaalsContact O-OH 3.13Å
448	N	63.8	Low	74.6	Confident	71 Å²	71	65 Å²	65	38%	0.38	37%	0.371	S	S	.	.			trans	-110.8	111.3	172.1	-165.7	-0.7	0	0	0	109.2	F450	N448-F450 PolarHBondContact ND2-O 2.85Å; N448-F450 PolarHBondContact OD1-N 3.28Å; N448-F450 VanDerWaalsContact OD1-N 3.12Å; N448-F450 PolarHBondContact OD1-O 3.22Å
449	L	60.4	Low	74.7	Confident	109 Å²	109	63.9 Å²	63.9	57%	0.571	37%	0.365	S	S	*	.	S	Bend	trans	-72.4	-21.8	176.8	-66.7	170	0	0	0	111.9	V526	L449-V526 HydrophobicContact CD1-CG1 4.39Å
450	F	62.7	Low	74.8	Confident	32 Å²	32	65 Å²	65	14%	0.14	37%	0.367	C	S	.	.	S	Bend	trans	-114.5	108.6	-174.5	-55.4	-59	0	0	0	109.8	F215 M223 N448 T452 V526	F215-F450 AromaticContact CE1-CD1 3.81Å; F215-F450 HydrophobicContact CE1-CD1 3.81Å; F215-F450 HydrophobicContact CE1-CE1 4.23Å; F215-F450 AromaticContact CE2-CD1 3.72Å; F215-F450 HydrophobicContact CE2-CD1 3.72Å; F215-F450 AromaticContact CE2-CE1 3.38Å; F215-F450 HydrophobicContact CE2-CE1 3.38Å; F215-F450 HydrophobicContact CE2-CZ 4.48Å; F215-F450 AromaticContact CZ-CD1 3.19Å; F215-F450 HydrophobicContact CZ-CD1 3.19Å; F215-F450 AromaticContact CZ-CE1 3.17Å; F215-F450 HydrophobicContact CZ-CE1 3.17Å; F215-F450 HydrophobicContact CZ-CG 4.25Å; F215-F450 HydrophobicContact CZ-CZ 4.19Å; M223-F450 HydrophobicContact CE-CD1 3.54Å; M223-F450 HydrophobicContact CE-CE1 4.17Å; M223-F450 HydrophobicContact SD-CD1 4.29Å; M223-F450 HydrophobicContact SD-CE1 4.42Å; N448-F450 PolarHBondContact ND2-O 2.85Å; N448-F450 PolarHBondContact OD1-N 3.28Å; N448-F450 VanDerWaalsContact OD1-N 3.12Å; N448-F450 PolarHBondContact OD1-O 3.22Å; F450-T452 PolarHBondContact O-N 3.38Å; F450-V526 HydrophobicContact CE2-CB 4.2Å; F450-V526 HydrophobicContact CE2-CG1 4.19Å; F450-V526 HydrophobicContact CE2-CG2 4.14Å; F450-V526 HydrophobicContact CZ-CB 4.23Å; F450-V526 HydrophobicContact CZ-CG1 4.02Å; F450-V526 HydrophobicContact CZ-CG2 3.84Å
451	P	60.6	Low	75.2	Confident	101 Å²	101	62.9 Å²	62.9	66%	0.656	35%	0.351	S	S	*	.			trans	-68	86.4	172.1	26.8	-29.1	0	0	0	108.9
452	T	62.6	Low	75.7	Confident	41 Å²	41	64 Å²	64	25%	0.252	35%	0.346	S	S	.	.			trans	-76.1	128.5	169.1	48.7	0	0	0	0	107.9	F450 T454	F450-T452 PolarHBondContact O-N 3.38Å; T452-T454 PolarHBondContact O-N 3.39Å; T452-T454 WeakPolarHBondContact OG1-CG2 3.43Å
453	Q	64.4	Low	76.3	Confident	114 Å²	114	62.1 Å²	62.1	53%	0.533	33%	0.331	S	S	.	.			trans	-66	79.5	168.7	-71.7	-177.3	-4.4	0	0	109.3
454	T	69.1	Low	76.9	Confident	65 Å²	65	62.5 Å²	62.5	40%	0.399	32%	0.323	S	S	.	.			trans	-95.3	111.4	173.6	56.5	0	0	0	0	107.1	H345 T452	H345-T454 PolarHBondContact CD2-O 2.98Å; H345-T454 VanDerWaalsContact NE2-C 3.3Å; H345-T454 PolarHBondContact NE2-O 3.41Å; T452-T454 PolarHBondContact O-N 3.39Å; T452-T454 WeakPolarHBondContact OG1-CG2 3.43Å
455	G	79	Confident	77.4	Confident	20 Å²	20	67.8 Å²	67.8	21%	0.206	35%	0.346	C	S	.	.			trans	-139.7	132.6	168.4	0	0	0	0	0	108.7	Y344 H457	Y344-G455 CarbonylContact O-C 3.23Å; Y344-G455 WeakPolarHBondContact O-CA 3.46Å; G455-H457 VanDerWaalsContact C-N 3.34Å
456	C	83.6	Confident	78	Confident	45 Å²	45	72.8 Å²	72.8	30%	0.304	37%	0.371	S	S	.	.	S	Bend	trans	-81.2	-17.1	178.7	55.1	0	0	0	0	112.5	Y344 H345 C439 C440	Y344-C456 PolarHBondContact O-N 3.1Å; H345-C456 PolarHBondContact ND1-N 3.42Å; H345-C456 PolarHBondContact ND1-SG 2.67Å; C439-C456 HydrophobicContact CB-CB 4.5Å; C439-C456 WeakPolarHBondContact CB-SG 3.44Å; C439-C456 WeakPolarHBondContact SG-CB 3.13Å; C439-C456 CovalentContact SG-SG 2.08Å; C439-C456 PolarHBondContact SG-SG 3.3Å; C440-C456 HydrophobicContact CB-CB 3.42Å; C440-C456 VanDerWaalsContact CB-CB 3.42Å; C440-C456 VanDerWaalsContact SG-CB 3.54Å
457	H	84.7	Confident	78.7	Confident	42 Å²	42	67.3 Å²	67.3	19%	0.194	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.2	-178.5	-67.3	62.3	0	0	0	109.9	L343 Y344 T346 G455	L343-H457 WeakPolarHBondContact CA-O 3.4Å; Y344-H457 HydrophobicContact CD1-CB 4.22Å; Y344-H457 WeakPolarHBondContact CD1-O 3.39Å; Y344-H457 HydrophobicContact CE1-CB 3.78Å; Y344-H457 PolarHBondContact N-O 3.33Å; Y344-H457 PolarHBondContact O-N 2.72Å; T346-H457 HydrophobicContact CG2-CB 4.2Å; G455-H457 VanDerWaalsContact C-N 3.34Å
458	R	86	Confident	79.8	Confident	75 Å²	75	64.9 Å²	64.9	28%	0.283	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.9	171.1	-166.9	-178.9	-174.1	94.9	-0.6	109.6	D340 G341 C342 L343 F491	D340-R458 PolarHBondContact O-NE 3.5Å; D340-R458 PolarHBondContact O-NH2 3.09Å; G341-R458 PolarHBondContact O-NH2 3.35Å; C342-R458 WeakPolarHBondContact O-CA 3.46Å; L343-R458 HydrophobicContact CD2-CB 4.01Å; L343-R458 HydrophobicContact CD2-CG 4.24Å; R458-F491 HydrophobicContact CG-CD1 4.29Å; R458-F491 HydrophobicContact CG-CE1 4.48Å
459	S	87.9	Confident	81.1	Confident	30 Å²	30	64.3 Å²	64.3	21%	0.21	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	167.9	171.2	-176.1	0	0	0	0	109.2	R328 G341 C342	R328-S459 VanDerWaalsContact NH1-C 3.28Å; R328-S459 PolarHBondContact NH1-OG 2.61Å; G341-S459 CarbonylContact C-O 3.47Å; G341-S459 WeakPolarHBondContact CA-O 3.26Å; C342-S459 PolarHBondContact N-O 3.33Å; C342-S459 PolarHBondContact O-N 3.23Å; C342-S459 VanDerWaalsContact O-N 3.15Å
460	E	87.1	Confident	82.5	Confident	56 Å²	56	60.3 Å²	60.3	26%	0.262	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-48.5	151.7	-175.2	-64.5	178	-164.7	0	0	114.2	R328 R479 M483 F491	R328-E460 PolarHBondContact NH1-O 3.45Å; E460-R479 IonicContact OE2-CZ 3.74Å; E460-R479 IonicContact OE2-NH2 2.7Å; E460-R479 PolarHBondContact OE2-NH2 3.13Å; E460-M483 VanDerWaalsContact CD-CE 3.46Å; E460-M483 HydrophobicContact CG-CE 4.23Å; E460-M483 WeakPolarHBondContact OE1-CE 3.29Å; E460-F491 HydrophobicContact CG-CE2 4.08Å; E460-F491 HydrophobicContact CG-CZ 3.84Å
461	H	91.5	Very high	84	Confident	15 Å²	15	59 Å²	59	7%	0.069	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.9	143.5	168.1	-72.6	-101.1	0	0	0	110	C326 F333 L338 G341 C342	C326-H461 HydrophobicContact CB-CB 4.32Å; C326-H461 VanDerWaalsContact CB-ND1 3.34Å; C326-H461 WeakPolarHBondContact CB-ND1 3.48Å; C326-H461 PolarHBondContact SG-ND1 3.04Å; C326-H461 VanDerWaalsContact SG-ND1 3.43Å; F333-H461 AromaticContact CD1-CE1 3.54Å; F333-H461 AromaticContact CD1-CG 3.97Å; F333-H461 AromaticContact CD1-ND1 3.22Å; F333-H461 WeakPolarHBondContact CD1-ND1 3.44Å; F333-H461 AromaticContact CD2-CE1 3.93Å; F333-H461 AromaticContact CD2-ND1 3.94Å; F333-H461 HydrophobicContact CE1-CB 3.79Å; F333-H461 AromaticContact CE1-CG 3.71Å; F333-H461 AromaticContact CE1-ND1 3.3Å; F333-H461 VanDerWaalsContact CE1-ND1 3.3Å; F333-H461 WeakPolarHBondContact CE1-ND1 3.41Å; F333-H461 HydrophobicContact CE2-CB 3.92Å; F333-H461 AromaticContact CE2-CG 3.8Å; F333-H461 AromaticContact CG-CE1 3.48Å; F333-H461 VanDerWaalsContact CG-CE1 3.48Å; F333-H461 WeakPolarHBondContact CG-CE1 3.28Å; F333-H461 AromaticContact CG-ND1 3.58Å; F333-H461 HydrophobicContact CZ-CB 3.43Å; F333-H461 VanDerWaalsContact CZ-CB 3.43Å; F333-H461 AromaticContact CZ-CG 3.62Å; F333-H461 AromaticContact CZ-ND1 3.72Å; L338-H461 HydrophobicContact CD1-CB 4.04Å; G341-H461 VanDerWaalsContact C-CD2 3.47Å; G341-H461 PolarHBondContact O-NE2 3.08Å; C342-H461 WeakPolarHBondContact CB-CE1 3.38Å
462	I	91.5	Very high	85.6	Confident	70 Å²	70	54.4 Å²	54.4	36%	0.359	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-102.4	116.6	174.4	-60	-178.4	0	0	0	108.4	C326 K327 R328	C326-I462 WeakPolarHBondContact CA-O 3.46Å; C326-I462 PolarHBondContact SG-N 3.34Å; C326-I462 VanDerWaalsContact SG-N 3.38Å; K327-I462 HydrophobicContact CB-CB 4.18Å; K327-I462 HydrophobicContact CB-CG2 4Å; K327-I462 HydrophobicContact CD-CG2 4.34Å; K327-I462 PolarHBondContact N-O 3.26Å; R328-I462 HydrophobicContact CB-CB 4.35Å; R328-I462 HydrophobicContact CB-CD1 4Å; R328-I462 HydrophobicContact CB-CG1 4.03Å
463	L	93.3	Very high	87	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.073	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-77.3	160.3	174.4	-62	175.1	0	0	0	111.4	Q324 F333 L338 E465 C475 I476	Q324-L463 HydrophobicContact CB-CD2 3.84Å; Q324-L463 HydrophobicContact CG-CD2 3.99Å; F333-L463 HydrophobicContact CZ-CD2 4.05Å; L338-L463 HydrophobicContact CD1-CD1 4.23Å; L338-L463 HydrophobicContact CD1-CD2 4.13Å; L338-L463 HydrophobicContact CD1-CG 4.1Å; L338-L463 HydrophobicContact CD2-CD1 4.3Å; L463-E465 PolarHBondContact O-N 3.42Å; L463-C475 HydrophobicContact CD1-CB 4.35Å; L463-C475 VanDerWaalsContact CD1-SG 3.57Å; L463-I476 HydrophobicContact CD1-CG1 3.94Å
464	N	91.8	Very high	88.3	Confident	55 Å²	55	52.9 Å²	52.9	29%	0.294	29%	0.287	S	S	.	.			trans	-85.4	91.3	171.9	-175.5	19.8	0	0	0	110.9	K327 D466 S467 T472	K327-N464 VanDerWaalsContact CE-CG 3.46Å; K327-N464 WeakPolarHBondContact CE-OD1 3.19Å; K327-N464 PolarHBondContact NZ-OD1 2.9Å; N464-D466 PolarHBondContact O-N 2.85Å; N464-S467 WeakPolarHBondContact O-CB 3.38Å; N464-S467 PolarHBondContact O-N 3.19Å; N464-T472 VanDerWaalsContact O-CG2 3.28Å; N464-T472 WeakPolarHBondContact O-CG2 3.49Å
465	E	89.8	Confident	89.5	Confident	140 Å²	140	49.8 Å²	49.8	65%	0.654	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.5	-179	-63.3	-175.7	174.1	0	0	113.8	L463 S467 I476	L463-E465 PolarHBondContact O-N 3.42Å; E465-S467 PolarHBondContact O-N 3.18Å; E465-I476 HydrophobicContact CG-CD1 4.42Å
466	D	89.8	Confident	90.1	Very high	136 Å²	136	52.1 Å²	52.1	73%	0.727	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	3.6	178.5	-48.4	-58.8	0	0	0	113.4	K327 N464 S468	K327-D466 IonicContact NZ-OD2 3.48Å; N464-D466 PolarHBondContact O-N 2.85Å; D466-S468 PolarHBondContact O-N 3.4Å
467	S	87.5	Confident	90.5	Very high	25 Å²	25	54.7 Å²	54.7	18%	0.175	28%	0.282	C	S	.	.			trans	-68.4	130.4	-176.8	-167	0	0	0	0	111.3	N464 E465 D469	N464-S467 WeakPolarHBondContact O-CB 3.38Å; N464-S467 PolarHBondContact O-N 3.19Å; E465-S467 PolarHBondContact O-N 3.18Å; S467-D469 PolarHBondContact O-N 3Å; S467-D469 WeakPolarHBondContact OG-CB 3.22Å; S467-D469 PolarHBondContact OG-N 3.4Å
468	S	88.7	Confident	90.9	Very high	106 Å²	106	53 Å²	53	74%	0.741	28%	0.275	S	S	*	.			trans	-76.9	-6	168.5	-65.3	0	0	0	0	112.8	D466	D466-S468 PolarHBondContact O-N 3.4Å
469	D	91.4	Very high	91.2	Very high	60 Å²	60	53 Å²	53	32%	0.321	28%	0.275	S	S	.	.			trans	-63.6	122.9	-179.9	177.8	50.9	0	0	0	111.4	S467 V471 T472 K473	S467-D469 PolarHBondContact O-N 3Å; S467-D469 WeakPolarHBondContact OG-CB 3.22Å; S467-D469 PolarHBondContact OG-N 3.4Å; D469-V471 VanDerWaalsContact C-N 3.28Å; D469-V471 PolarHBondContact O-N 2.87Å; D469-V471 VanDerWaalsContact OD2-CB 3.3Å; D469-V471 WeakPolarHBondContact OD2-CB 3.4Å; D469-V471 PolarHBondContact OD2-N 3.26Å; D469-T472 PolarHBondContact O-N 3Å; D469-T472 PolarHBondContact OD2-N 3.32Å; D469-T472 PolarHBondContact OD2-OG1 2.93Å; D469-T472 VanDerWaalsContact OD2-OG1 3.11Å; D469-K473 PolarHBondContact O-N 3.23Å; D469-K473 VanDerWaalsContact O-N 3.08Å
470	P	90.2	Very high	91.4	Very high	24 Å²	24	58.4 Å²	58.4	16%	0.156	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-34.6	178.4	22.2	-35.4	0	0	0	113.7	S181 Y182 K473 L474	S181-P470 WeakPolarHBondContact O-CG 3.46Å; S181-P470 WeakPolarHBondContact OG-CG 3.26Å; Y182-P470 HydrophobicContact CD1-CB 3.4Å; Y182-P470 HydrophobicContact CD1-CG 4.49Å; Y182-P470 HydrophobicContact CE1-CB 3.6Å; Y182-P470 HydrophobicContact CG-CB 4.16Å; P470-K473 PolarHBondContact O-N 3.24Å; P470-L474 PolarHBondContact O-N 3.46Å
471	V	93.3	Very high	91.6	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.03	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-44	177.4	-173.6	0	0	0	0	110	P184 W318 N322 I335 D469 K473 L474 C475	P184-V471 VanDerWaalsContact CD-CG2 3.49Å; P184-V471 HydrophobicContact CG-CG2 4.09Å; W318-V471 HydrophobicContact CH2-CG1 3.88Å; W318-V471 HydrophobicContact CZ2-CB 4.41Å; W318-V471 HydrophobicContact CZ2-CG1 3.62Å; N322-V471 HydrophobicContact CB-CG1 4.02Å; I335-V471 HydrophobicContact CD1-CG1 3.83Å; D469-V471 VanDerWaalsContact C-N 3.28Å; D469-V471 PolarHBondContact O-N 2.87Å; D469-V471 VanDerWaalsContact OD2-CB 3.3Å; D469-V471 WeakPolarHBondContact OD2-CB 3.4Å; D469-V471 PolarHBondContact OD2-N 3.26Å; V471-K473 VanDerWaalsContact C-N 3.34Å; V471-K473 PolarHBondContact O-N 2.75Å; V471-L474 PolarHBondContact O-N 2.86Å; V471-C475 VanDerWaalsContact O-CB 3.3Å; V471-C475 WeakPolarHBondContact O-CB 3.18Å; V471-C475 PolarHBondContact O-N 3.46Å
472	T	93.8	Very high	91.7	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-42.4	174.6	-55	0	0	0	0	111.9	Q324 N464 D469 C475 I476	Q324-T472 PolarHBondContact NE2-OG1 3.31Å; Q324-T472 PolarHBondContact OE1-OG1 3.35Å; N464-T472 VanDerWaalsContact O-CG2 3.28Å; N464-T472 WeakPolarHBondContact O-CG2 3.49Å; D469-T472 PolarHBondContact O-N 3Å; D469-T472 PolarHBondContact OD2-N 3.32Å; D469-T472 PolarHBondContact OD2-OG1 2.93Å; D469-T472 VanDerWaalsContact OD2-OG1 3.11Å; T472-C475 WeakPolarHBondContact O-CB 3.49Å; T472-C475 PolarHBondContact O-N 2.71Å; T472-I476 HydrophobicContact CG2-CD1 3.94Å; T472-I476 HydrophobicContact CG2-CG1 4.47Å; T472-I476 VanDerWaalsContact O-CG1 3.32Å; T472-I476 WeakPolarHBondContact O-CG1 3.24Å; T472-I476 PolarHBondContact O-N 3.35Å
473	K	92.5	Very high	91.6	Very high	120 Å²	120	55 Å²	55	52%	0.522	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-46.4	177.8	-70.9	178.4	-179.7	175.4	0	112.4	D469 P470 V471 C475 I476 Q477	D469-K473 PolarHBondContact O-N 3.23Å; D469-K473 VanDerWaalsContact O-N 3.08Å; P470-K473 PolarHBondContact O-N 3.24Å; V471-K473 VanDerWaalsContact C-N 3.34Å; V471-K473 PolarHBondContact O-N 2.75Å; K473-C475 VanDerWaalsContact C-N 3.34Å; K473-I476 PolarHBondContact O-N 3.36Å; K473-Q477 PolarHBondContact O-N 2.97Å
474	L	91.7	Very high	91.5	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-40.4	175.5	-75.3	174.3	0	0	0	112	L148 Y182 W315 W318 P470 V471 I476 Q477 H478	L148-L474 HydrophobicContact CD1-CD1 4.48Å; Y182-L474 HydrophobicContact CD1-CD1 3.8Å; Y182-L474 HydrophobicContact CD1-CG 4.44Å; Y182-L474 HydrophobicContact CG-CD1 4.17Å; W315-L474 HydrophobicContact CH2-CD2 4.04Å; W318-L474 HydrophobicContact CH2-CB 3.81Å; W318-L474 HydrophobicContact CZ2-CB 3.86Å; W318-L474 HydrophobicContact CZ2-CD1 4.08Å; P470-L474 PolarHBondContact O-N 3.46Å; V471-L474 PolarHBondContact O-N 2.86Å; L474-I476 VanDerWaalsContact C-N 3.31Å; L474-I476 PolarHBondContact O-N 3.21Å; L474-Q477 PolarHBondContact O-N 3.49Å; L474-H478 PolarHBondContact O-CD2 3.29Å; L474-H478 VanDerWaalsContact O-CD2 3.27Å; L474-H478 PolarHBondContact O-N 3.16Å
475	C	93.6	Very high	91.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-42	175.8	-173.6	0	0	0	0	111.7	W318 Q324 I335 L463 V471 T472 K473 R479	W318-C475 HydrophobicContact CH2-CB 4.25Å; Q324-C475 HydrophobicContact CG-CB 4.46Å; I335-C475 HydrophobicContact CD1-CB 4.21Å; I335-C475 VanDerWaalsContact CG2-SG 3.56Å; L463-C475 HydrophobicContact CD1-CB 4.35Å; L463-C475 VanDerWaalsContact CD1-SG 3.57Å; V471-C475 VanDerWaalsContact O-CB 3.3Å; V471-C475 WeakPolarHBondContact O-CB 3.18Å; V471-C475 PolarHBondContact O-N 3.46Å; T472-C475 WeakPolarHBondContact O-CB 3.49Å; T472-C475 PolarHBondContact O-N 2.71Å; K473-C475 VanDerWaalsContact C-N 3.34Å; C475-R479 WeakPolarHBondContact O-CA 3.48Å; C475-R479 PolarHBondContact O-N 3.04Å
476	I	93.4	Very high	91	Very high	68 Å²	68	52.7 Å²	52.7	35%	0.349	28%	0.276	S	S	.	.	H	α-helix	trans	-65.7	-46.1	175.5	-67.5	164.8	0	0	0	110.8	L463 E465 T472 K473 L474 H478 R479	L463-I476 HydrophobicContact CD1-CG1 3.94Å; E465-I476 HydrophobicContact CG-CD1 4.42Å; T472-I476 HydrophobicContact CG2-CD1 3.94Å; T472-I476 HydrophobicContact CG2-CG1 4.47Å; T472-I476 VanDerWaalsContact O-CG1 3.32Å; T472-I476 WeakPolarHBondContact O-CG1 3.24Å; T472-I476 PolarHBondContact O-N 3.35Å; K473-I476 PolarHBondContact O-N 3.36Å; L474-I476 VanDerWaalsContact C-N 3.31Å; L474-I476 PolarHBondContact O-N 3.21Å; I476-H478 VanDerWaalsContact C-N 3.29Å; I476-H478 PolarHBondContact O-N 3.45Å; I476-R479 WeakPolarHBondContact O-CB 3.48Å; I476-R479 PolarHBondContact O-N 3.11Å
477	Q	91.5	Very high	90.1	Very high	99 Å²	99	50.1 Å²	50.1	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-59	-39.7	179.2	178.8	178.9	-19.5	0	0	112.4	K473 L474	K473-Q477 PolarHBondContact O-N 2.97Å; L474-Q477 PolarHBondContact O-N 3.49Å
478	H	92.7	Very high	88.5	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.032	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.5	-177.3	-65.1	-75.3	0	0	0	113.8	D152 W315 L474 I476 E480 M481 I482	D152-H478 IonicContact OD2-CE1 3.93Å; D152-H478 PolarHBondContact OD2-CE1 3.47Å; W315-H478 AromaticContact CE2-CE1 3.63Å; W315-H478 AromaticContact CE2-NE2 3.69Å; W315-H478 AromaticContact CH2-CD2 3.77Å; W315-H478 AromaticContact CH2-NE2 3.46Å; W315-H478 WeakPolarHBondContact CH2-NE2 3.23Å; W315-H478 AromaticContact CZ2-CD2 3.93Å; W315-H478 AromaticContact CZ2-CE1 3.62Å; W315-H478 AromaticContact CZ2-NE2 3.26Å; W315-H478 VanDerWaalsContact CZ2-NE2 3.26Å; W315-H478 WeakPolarHBondContact CZ2-NE2 3.36Å; W315-H478 AromaticContact CZ3-CD2 3.87Å; W315-H478 AromaticContact NE1-CE1 3.85Å; L474-H478 PolarHBondContact O-CD2 3.29Å; L474-H478 VanDerWaalsContact O-CD2 3.27Å; L474-H478 PolarHBondContact O-N 3.16Å; I476-H478 VanDerWaalsContact C-N 3.29Å; I476-H478 PolarHBondContact O-N 3.45Å; H478-E480 PolarHBondContact O-N 2.94Å; H478-M481 WeakPolarHBondContact O-CB 3.47Å; H478-M481 PolarHBondContact O-N 3.19Å; H478-M481 VanDerWaalsContact O-N 3.13Å; H478-I482 HydrophobicContact CB-CD1 3.86Å; H478-I482 HydrophobicContact CB-CG1 4.33Å; H478-I482 WeakPolarHBondContact O-CG1 3.46Å; H478-I482 PolarHBondContact O-N 3.3Å
479	R	92.1	Very high	86.9	Confident	76 Å²	76	57.8 Å²	57.8	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-49.7	-52.7	-173.6	173.4	177.7	-179.3	-175.3	-0.4	113.4	L338 E460 C475 I476 M481 I482 M483	L338-R479 HydrophobicContact CD2-CB 4.44Å; L338-R479 HydrophobicContact CD2-CG 4.03Å; E460-R479 IonicContact OE2-CZ 3.74Å; E460-R479 IonicContact OE2-NH2 2.7Å; E460-R479 PolarHBondContact OE2-NH2 3.13Å; C475-R479 WeakPolarHBondContact O-CA 3.48Å; C475-R479 PolarHBondContact O-N 3.04Å; I476-R479 WeakPolarHBondContact O-CB 3.48Å; I476-R479 PolarHBondContact O-N 3.11Å; R479-M481 VanDerWaalsContact C-N 3.3Å; R479-M481 PolarHBondContact O-N 3.25Å; R479-I482 PolarHBondContact O-N 3.34Å; R479-M483 HydrophobicContact CG-CG 4.24Å; R479-M483 HydrophobicContact CG-SD 3.53Å; R479-M483 VanDerWaalsContact CG-SD 3.53Å; R479-M483 PolarHBondContact NE-SD 2.77Å; R479-M483 VanDerWaalsContact NE-SD 3.4Å; R479-M483 WeakPolarHBondContact O-CB 3.45Å; R479-M483 VanDerWaalsContact O-CG 3.28Å; R479-M483 WeakPolarHBondContact O-CG 3.41Å; R479-M483 PolarHBondContact O-N 2.64Å
480	E	91.9	Very high	84.6	Confident	142 Å²	142	58 Å²	58	66%	0.664	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-39.8	-176.2	-62.2	-55.4	137.7	0	0	112	H478 S484	H478-E480 PolarHBondContact O-N 2.94Å; E480-S484 WeakPolarHBondContact O-CB 3.02Å; E480-S484 PolarHBondContact O-N 2.9Å
481	M	91.7	Very high	82.8	Confident	37 Å²	37	60.7 Å²	60.7	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-47.1	176.3	-176.5	-162.6	-49.5	0	0	110.7	R311 W315 H478 R479 M483 S484 W485	R311-M481 VanDerWaalsContact NH2-CE 3.27Å; W315-M481 HydrophobicContact CB-SD 4.08Å; W315-M481 HydrophobicContact CG-SD 4.28Å; H478-M481 WeakPolarHBondContact O-CB 3.47Å; H478-M481 PolarHBondContact O-N 3.19Å; H478-M481 VanDerWaalsContact O-N 3.13Å; R479-M481 VanDerWaalsContact C-N 3.3Å; R479-M481 PolarHBondContact O-N 3.25Å; M481-M483 VanDerWaalsContact C-N 3.34Å; M481-M483 PolarHBondContact O-N 3Å; M481-S484 WeakPolarHBondContact O-CB 3.11Å; M481-S484 PolarHBondContact O-N 2.78Å; M481-S484 VanDerWaalsContact O-N 3.13Å; M481-S484 PolarHBondContact O-OG 2.79Å; M481-W485 HydrophobicContact CG-CH2 4.19Å; M481-W485 HydrophobicContact CG-CZ2 3.77Å; M481-W485 HydrophobicContact SD-CH2 3.98Å; M481-W485 HydrophobicContact SD-CZ2 3.81Å
482	I	92.9	Very high	80.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-44.2	-179.9	-65.3	160.1	0	0	0	110.5	W318 A319 I335 L338 H478 R479 S484 W485	W318-I482 HydrophobicContact CZ3-CD1 4.48Å; A319-I482 HydrophobicContact CB-CG1 4.45Å; A319-I482 HydrophobicContact CB-CG2 4.47Å; I335-I482 HydrophobicContact CG2-CD1 3.74Å; I335-I482 HydrophobicContact CG2-CG2 4.11Å; I335-I482 VanDerWaalsContact O-CG2 3.3Å; I335-I482 WeakPolarHBondContact O-CG2 3.44Å; L338-I482 HydrophobicContact CB-CG2 4.08Å; L338-I482 HydrophobicContact CD2-CG2 4.3Å; H478-I482 HydrophobicContact CB-CD1 3.86Å; H478-I482 HydrophobicContact CB-CG1 4.33Å; H478-I482 WeakPolarHBondContact O-CG1 3.46Å; H478-I482 PolarHBondContact O-N 3.3Å; R479-I482 PolarHBondContact O-N 3.34Å; I482-S484 PolarHBondContact O-N 2.93Å; I482-W485 HydrophobicContact CB-CE3 4.41Å; I482-W485 HydrophobicContact CB-CZ3 4.29Å; I482-W485 HydrophobicContact CG1-CE3 4.47Å; I482-W485 HydrophobicContact CG1-CH2 4.47Å; I482-W485 HydrophobicContact CG1-CZ3 3.86Å; I482-W485 HydrophobicContact CG2-CE3 4.48Å; I482-W485 PolarHBondContact O-N 3.47Å
483	M	90.9	Very high	78	Confident	33 Å²	33	73.7 Å²	73.7	16%	0.163	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-29.1	177.5	-71.3	177.6	66	0	0	112.3	L338 E460 R479 M481 W485 S486	L338-M483 HydrophobicContact CD2-CG 4.31Å; L338-M483 HydrophobicContact CG-CG 4.19Å; E460-M483 VanDerWaalsContact CD-CE 3.46Å; E460-M483 HydrophobicContact CG-CE 4.23Å; E460-M483 WeakPolarHBondContact OE1-CE 3.29Å; R479-M483 HydrophobicContact CG-CG 4.24Å; R479-M483 HydrophobicContact CG-SD 3.53Å; R479-M483 VanDerWaalsContact CG-SD 3.53Å; R479-M483 PolarHBondContact NE-SD 2.77Å; R479-M483 VanDerWaalsContact NE-SD 3.4Å; R479-M483 WeakPolarHBondContact O-CB 3.45Å; R479-M483 VanDerWaalsContact O-CG 3.28Å; R479-M483 WeakPolarHBondContact O-CG 3.41Å; R479-M483 PolarHBondContact O-N 2.64Å; M481-M483 VanDerWaalsContact C-N 3.34Å; M481-M483 PolarHBondContact O-N 3Å; M483-W485 PolarHBondContact O-N 3.14Å; M483-S486 WeakPolarHBondContact O-CB 3.29Å; M483-S486 PolarHBondContact O-N 3.03Å; M483-S486 VanDerWaalsContact O-N 3.14Å; M483-S486 PolarHBondContact O-OG 2.93Å
484	S	90.2	Very high	75.4	Confident	81 Å²	81	74.9 Å²	74.9	57%	0.566	37%	0.371	S	S	*	.	H	α-helix	trans	-65	-23.2	177.8	80.8	0	0	0	0	113.9	E480 M481 I482	E480-S484 WeakPolarHBondContact O-CB 3.02Å; E480-S484 PolarHBondContact O-N 2.9Å; M481-S484 WeakPolarHBondContact O-CB 3.11Å; M481-S484 PolarHBondContact O-N 2.78Å; M481-S484 VanDerWaalsContact O-N 3.13Å; M481-S484 PolarHBondContact O-OG 2.79Å; I482-S484 PolarHBondContact O-N 2.93Å
485	W	88.5	Confident	72.6	Confident	61 Å²	61	79.3 Å²	79.3	23%	0.231	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.9	176.4	-57.8	-35.5	0	0	0	113.4	D312 W315 K316 A319 I336 M481 I482 M483	D312-W485 HydrophobicContact CB-CZ2 4.35Å; W315-W485 VanDerWaalsContact C-CH2 3.47Å; W315-W485 HydrophobicContact CB-CH2 3.68Å; W315-W485 HydrophobicContact CB-CZ2 4.46Å; K316-W485 HydrophobicContact CB-CD2 4.37Å; K316-W485 HydrophobicContact CB-CE3 4.12Å; K316-W485 HydrophobicContact CB-CH2 3.77Å; K316-W485 HydrophobicContact CB-CZ2 4.01Å; K316-W485 HydrophobicContact CB-CZ3 3.82Å; K316-W485 HydrophobicContact CD-CD2 4.32Å; K316-W485 HydrophobicContact CG-CD2 4.18Å; K316-W485 HydrophobicContact CG-CE3 4.01Å; K316-W485 HydrophobicContact CG-CZ3 4.21Å; A319-W485 HydrophobicContact CB-CZ3 4.21Å; I336-W485 HydrophobicContact CD1-CB 4.36Å; I336-W485 HydrophobicContact CD1-CD2 4.39Å; I336-W485 HydrophobicContact CD1-CE3 3.52Å; I336-W485 HydrophobicContact CD1-CZ3 4.22Å; M481-W485 HydrophobicContact CG-CH2 4.19Å; M481-W485 HydrophobicContact CG-CZ2 3.77Å; M481-W485 HydrophobicContact SD-CH2 3.98Å; M481-W485 HydrophobicContact SD-CZ2 3.81Å; I482-W485 HydrophobicContact CB-CE3 4.41Å; I482-W485 HydrophobicContact CB-CZ3 4.29Å; I482-W485 HydrophobicContact CG1-CE3 4.47Å; I482-W485 HydrophobicContact CG1-CH2 4.47Å; I482-W485 HydrophobicContact CG1-CZ3 3.86Å; I482-W485 HydrophobicContact CG2-CE3 4.48Å; I482-W485 PolarHBondContact O-N 3.47Å; M483-W485 PolarHBondContact O-N 3.14Å
486	S	82.6	Confident	69.9	Low	19 Å²	19	84.3 Å²	84.3	13%	0.133	42%	0.421	C	S	.	.	S	Bend	trans	-69	142.2	176	70.1	0	0	0	0	110.2	G339 M483 K488	G339-S486 WeakPolarHBondContact CA-OG 3.02Å; M483-S486 WeakPolarHBondContact O-CB 3.29Å; M483-S486 PolarHBondContact O-N 3.03Å; M483-S486 VanDerWaalsContact O-N 3.14Å; M483-S486 PolarHBondContact O-OG 2.93Å; S486-K488 PolarHBondContact O-N 3.49Å; S486-K488 VanDerWaalsContact O-N 3.12Å
487	T	70.3	Confident	67.2	Low	81 Å²	81	88.3 Å²	88.3	50%	0.497	44%	0.441	S	S	.	.			trans	-62.4	120.2	170.2	-45.5	0	0	0	0	107.3	R489	T487-R489 HydrophobicContact CG2-CG 4.48Å; T487-R489 PolarHBondContact O-N 3.24Å
488	K	54.6	Low	64.4	Low	202 Å²	202	90.5 Å²	90.5	88%	0.878	46%	0.457	S	S	*	.			trans	-62	82.1	175.1	-67.1	-177.5	-177.5	177.5	0	110	S486	S486-K488 PolarHBondContact O-N 3.49Å; S486-K488 VanDerWaalsContact O-N 3.12Å
489	R	54.2	Low	61.3	Low	91 Å²	91	94.1 Å²	94.1	34%	0.343	48%	0.483	S	S	.	.			trans	-84.5	131.5	168.3	-64.9	-178.4	-166.3	-106.1	0.5	107	T487 F491	T487-R489 HydrophobicContact CG2-CG 4.48Å; T487-R489 PolarHBondContact O-N 3.24Å; R489-F491 PolarHBondContact O-N 3.03Å
490	S	44.2	Very low	58.5	Low	63 Å²	63	96.8 Å²	96.8	44%	0.441	51%	0.513	S	S	.	.			trans	-62.6	127.5	175.1	59.8	0	0	0	0	109.4	N492	S490-N492 PolarHBondContact O-N 3.17Å
491	F	53.1	Low	55.3	Low	82 Å²	82	93 Å²	93	36%	0.36	51%	0.512	S	S	.	.			trans	-71.3	27.3	169	-62.8	-69.9	0	0	0	112.6	R458 E460 R489	R458-F491 HydrophobicContact CG-CD1 4.29Å; R458-F491 HydrophobicContact CG-CE1 4.48Å; E460-F491 HydrophobicContact CG-CE2 4.08Å; E460-F491 HydrophobicContact CG-CZ 3.84Å; R489-F491 PolarHBondContact O-N 3.03Å
492	N	40.2	Very low	52.3	Low	121 Å²	121	96.3 Å²	96.3	65%	0.647	54%	0.539	S	S	*	.			trans	-77.3	130.1	-175.8	-93	-19.7	0	0	0	111.2	S490 N494	S490-N492 PolarHBondContact O-N 3.17Å; N492-N494 PolarHBondContact O-N 2.93Å; N492-N494 VanDerWaalsContact O-N 3.08Å
493	Q	45.3	Very low	49	Very low	160 Å²	160	104.9 Å²	104.9	75%	0.748	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-8.4	-168.2	-74.1	175.6	-6.2	0	0	116.1
494	N	37.2	Very low	46	Very low	146 Å²	146	110.3 Å²	110.3	78%	0.781	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.5	-0.3	-164.5	-80	-23.6	0	0	0	118.5	N492	N492-N494 PolarHBondContact O-N 2.93Å; N492-N494 VanDerWaalsContact O-N 3.08Å
495	N	32.8	Very low	42.9	Very low	97 Å²	97	113.2 Å²	113.2	52%	0.519	62%	0.618	S	S	.	*	S	Bend	trans	-115.3	-14.7	-174.5	-85.2	3.3	0	0	0	117.2	I497 N498 S499	N495-I497 PolarHBondContact O-N 3.23Å; N495-N498 PolarHBondContact O-N 3.35Å; N495-S499 PolarHBondContact O-N 3.34Å
496	D	37.9	Very low	40.1	Very low	104 Å²	104	117.4 Å²	117.4	56%	0.556	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	1.2	-174.9	-74.7	-1.8	0	0	0	114.6
497	I	36.6	Very low	37.4	Very low	152 Å²	152	119.3 Å²	119.3	78%	0.779	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-26.7	169.4	-59.8	176.6	0	0	0	111.3	N495	N495-I497 PolarHBondContact O-N 3.23Å
498	N	32.5	Very low	35.5	Very low	146 Å²	146	120 Å²	120	78%	0.781	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	-7.7	-171.4	-74.2	-8.9	0	0	0	116.6	N495 S500	N495-N498 PolarHBondContact O-N 3.35Å; N498-S500 PolarHBondContact O-N 3.05Å
499	S	27.8	Very low	34.5	Very low	83 Å²	83	113.9 Å²	113.9	58%	0.58	66%	0.656	S	S	*	*			trans	-102.1	64.5	176.6	-71.9	0	0	0	0	113.1	N495 G501	N495-S499 PolarHBondContact O-N 3.34Å; S499-G501 VanDerWaalsContact C-N 3.29Å; S499-G501 PolarHBondContact O-N 3.44Å
500	S	32.4	Very low	33.5	Very low	132 Å²	132	115.7 Å²	115.7	92%	0.923	67%	0.668	S	S	*	*			trans	-80	81.5	152.6	-65.8	0	0	0	0	108.2	N498	N498-S500 PolarHBondContact O-N 3.05Å
501	G	26	Very low	33	Very low	62 Å²	62	118.2 Å²	118.2	64%	0.639	68%	0.677	S	S	*	*			trans	-164.7	99.9	179.1	0	0	0	0	0	111.5	S499	S499-G501 VanDerWaalsContact C-N 3.29Å; S499-G501 PolarHBondContact O-N 3.44Å
502	S	27.8	Very low	32.2	Very low	107 Å²	107	119.4 Å²	119.4	75%	0.748	68%	0.683	S	S	*	*			trans	74.8	92.7	169.1	-150.8	0	0	0	0	116.1
503	M	25	Very low	31.9	Very low	180 Å²	180	122.8 Å²	122.8	89%	0.887	69%	0.693	S	S	*	*				-164.5	124.6	113.4	-89.9	-53.5	164.4	0	0	108.9
504	I	26.4	Very low	31.6	Very low	146 Å²	146	119.4 Å²	119.4	75%	0.749	68%	0.679	S	S	*	*			trans	-82.2	143.7	176.1	-61	165.5	0	0	0	107
505	N	26.5	Very low	31.8	Very low	142 Å²	142	116.1 Å²	116.1	76%	0.759	66%	0.661	S	S	*	*			trans	107.5	127.1	168.4	-56.2	-22.1	0	0	0	115.9
506	D	28.3	Very low	32.1	Very low	149 Å²	149	117.3 Å²	117.3	80%	0.797	67%	0.667	S	S	*	*	S	Bend	trans	81.5	92.4	170.3	-53.3	-25.6	0	0	0	118.6
507	G	26.3	Very low	32.1	Very low	59 Å²	59	116.8 Å²	116.8	61%	0.608	66%	0.664	S	S	*	*			trans	69	89.8	152.8	0	0	0	0	0	116.5	S509	G507-S509 PolarHBondContact O-N 3.42Å
508	P	30.7	Very low	32.3	Very low	96 Å²	96	114.1 Å²	114.1	62%	0.623	65%	0.648	S	S	*	*			trans	-73.8	92.6	176.1	30.5	-31.5	0	0	0	110.1	H510	P508-H510 PolarHBondContact O-N 2.71Å
509	S	33.8	Very low	32.8	Very low	74 Å²	74	109.1 Å²	109.1	52%	0.517	62%	0.621	S	S	.	*			trans	-60.9	89.7	143.1	-80.7	0	0	0	0	105.9	G507 N511	G507-S509 PolarHBondContact O-N 3.42Å; S509-N511 VanDerWaalsContact C-N 3.25Å; S509-N511 PolarHBondContact O-N 2.79Å
510	H	32.5	Very low	33.6	Very low	128 Å²	128	109.3 Å²	109.3	59%	0.593	61%	0.614	S	S	*	*			trans	-57.6	94	171.6	-75.9	-76.5	0	0	0	107.5	P508 H512	P508-H510 PolarHBondContact O-N 2.71Å; H510-H512 PolarHBondContact O-N 3.03Å
511	N	35	Very low	34	Very low	116 Å²	116	106.9 Å²	106.9	62%	0.62	60%	0.597	S	S	*	*			trans	-61.2	76.8	147	-76.8	-22.5	0	0	0	105.3	S509 K513	S509-N511 VanDerWaalsContact C-N 3.25Å; S509-N511 PolarHBondContact O-N 2.79Å; N511-K513 PolarHBondContact O-N 2.93Å
512	H	35.5	Very low	34.9	Very low	107 Å²	107	106.5 Å²	106.5	50%	0.495	58%	0.58	S	S	.	*			trans	-52.5	112.9	165.1	-97.6	-67	0	0	0	104.6	H510 I514	H510-H512 PolarHBondContact O-N 3.03Å; H512-I514 VanDerWaalsContact C-N 3.32Å; H512-I514 PolarHBondContact O-N 3.32Å
513	K	33.9	Very low	35.7	Very low	193 Å²	193	105.4 Å²	105.4	84%	0.839	56%	0.562	S	S	*	*			trans	-42.6	106.8	168.9	-153.3	177.7	-171.2	-179.3	0	104.7	N511 D515	N511-K513 PolarHBondContact O-N 2.93Å; K513-D515 VanDerWaalsContact C-N 3.34Å; K513-D515 PolarHBondContact O-N 3.03Å
514	I	38.7	Very low	36.6	Very low	89 Å²	89	99 Å²	99	46%	0.456	53%	0.53	S	S	.	.			trans	-62	107.3	-178.6	-68.1	173.3	0	0	0	103.6	P212 H512 L516 I519	P212-I514 HydrophobicContact CG-CD1 4.18Å; P212-I514 HydrophobicContact CG-CG1 4.33Å; H512-I514 VanDerWaalsContact C-N 3.32Å; H512-I514 PolarHBondContact O-N 3.32Å; I514-L516 VanDerWaalsContact C-N 3.31Å; I514-L516 PolarHBondContact O-N 3.49Å; I514-I519 HydrophobicContact CG2-CD1 3.2Å; I514-I519 HydrophobicContact CG2-CG1 4.04Å
515	D	41.2	Very low	37.6	Very low	77 Å²	77	95.4 Å²	95.4	41%	0.412	51%	0.512	S	S	.	.			trans	-66.9	100.2	176.4	-179.7	13.7	0	0	0	106.8	K513 N517 Q518 I519	K513-D515 VanDerWaalsContact C-N 3.34Å; K513-D515 PolarHBondContact O-N 3.03Å; D515-N517 PolarHBondContact O-N 3.01Å; D515-N517 VanDerWaalsContact O-N 3.15Å; D515-N517 VanDerWaalsContact OD1-CB 3.22Å; D515-N517 WeakPolarHBondContact OD1-CB 3.41Å; D515-N517 PolarHBondContact OD1-N 3.24Å; D515-Q518 HydrophobicContact CB-CB 3.95Å; D515-Q518 PolarHBondContact O-N 3.29Å; D515-Q518 PolarHBondContact OD2-N 2.97Å; D515-I519 PolarHBondContact O-N 2.89Å; D515-I519 VanDerWaalsContact O-N 3.12Å
516	L	39.3	Very low	38.6	Very low	122 Å²	122	91.2 Å²	91.2	64%	0.639	49%	0.491	S	S	*	.	H	α-helix	trans	-53.2	-33	175.4	-107.8	77.7	0	0	0	109.9	I514 I519 I520	I514-L516 VanDerWaalsContact C-N 3.31Å; I514-L516 PolarHBondContact O-N 3.49Å; L516-I519 PolarHBondContact O-N 3.2Å; L516-I520 WeakPolarHBondContact O-CB 3.45Å; L516-I520 WeakPolarHBondContact O-CD1 3.29Å; L516-I520 WeakPolarHBondContact O-CG1 3.41Å; L516-I520 PolarHBondContact O-N 3.31Å
517	N	37.8	Very low	39.4	Very low	93 Å²	93	89.3 Å²	89.3	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-67.8	-37.8	178.6	-60.5	-36.3	0	0	0	111.3	D515 I520 C521	D515-N517 PolarHBondContact O-N 3.01Å; D515-N517 VanDerWaalsContact O-N 3.15Å; D515-N517 VanDerWaalsContact OD1-CB 3.22Å; D515-N517 WeakPolarHBondContact OD1-CB 3.41Å; D515-N517 PolarHBondContact OD1-N 3.24Å; N517-I520 PolarHBondContact O-N 2.91Å; N517-C521 VanDerWaalsContact O-CB 3.31Å; N517-C521 WeakPolarHBondContact O-CB 3.33Å; N517-C521 PolarHBondContact O-N 2.85Å; N517-C521 PolarHBondContact O-SG 3.43Å
518	Q	41.7	Very low	40.3	Very low	95 Å²	95	93.8 Å²	93.8	44%	0.444	48%	0.476	S	S	.	.	H	α-helix	trans	-68.8	-37.5	175.5	-161.1	172	32.9	0	0	112.5	D515 C521 N522	D515-Q518 HydrophobicContact CB-CB 3.95Å; D515-Q518 PolarHBondContact O-N 3.29Å; D515-Q518 PolarHBondContact OD2-N 2.97Å; Q518-C521 PolarHBondContact O-N 3.06Å; Q518-N522 PolarHBondContact O-N 3.45Å
519	I	41.6	Very low	41.1	Very low	42 Å²	42	90.1 Å²	90.1	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-63.6	-45.6	171.4	-66.9	-174.5	0	0	0	110.5	P212 I514 D515 L516 N522 K523	P212-I519 HydrophobicContact CB-CD1 4.32Å; I514-I519 HydrophobicContact CG2-CD1 3.2Å; I514-I519 HydrophobicContact CG2-CG1 4.04Å; D515-I519 PolarHBondContact O-N 2.89Å; D515-I519 VanDerWaalsContact O-N 3.12Å; L516-I519 PolarHBondContact O-N 3.2Å; I519-N522 PolarHBondContact O-N 2.87Å; I519-K523 WeakPolarHBondContact O-CB 3.47Å; I519-K523 PolarHBondContact O-N 3.09Å
520	I	44.8	Very low	41.8	Very low	86 Å²	86	91.8 Å²	91.8	44%	0.441	46%	0.463	S	S	.	.	H	α-helix	trans	-61.6	-45	177.6	-69.1	162.7	0	0	0	110.1	L516 N517 N522 K523 E524	L516-I520 WeakPolarHBondContact O-CB 3.45Å; L516-I520 WeakPolarHBondContact O-CD1 3.29Å; L516-I520 WeakPolarHBondContact O-CG1 3.41Å; L516-I520 PolarHBondContact O-N 3.31Å; N517-I520 PolarHBondContact O-N 2.91Å; I520-N522 PolarHBondContact O-N 2.86Å; I520-K523 WeakPolarHBondContact O-CB 3.47Å; I520-K523 PolarHBondContact O-N 2.9Å; I520-E524 HydrophobicContact CG2-CG 4.29Å; I520-E524 VanDerWaalsContact O-CB 3.31Å; I520-E524 WeakPolarHBondContact O-CB 3.1Å; I520-E524 WeakPolarHBondContact O-CG 3.34Å; I520-E524 PolarHBondContact O-N 3.42Å
521	C	41.6	Very low	42.3	Very low	82 Å²	82	88.3 Å²	88.3	55%	0.554	46%	0.457	S	S	*	.	H	α-helix	trans	-61.2	-40.4	177.4	-76.3	0	0	0	0	112.6	N517 Q518 L525	N517-C521 VanDerWaalsContact O-CB 3.31Å; N517-C521 WeakPolarHBondContact O-CB 3.33Å; N517-C521 PolarHBondContact O-N 2.85Å; N517-C521 PolarHBondContact O-SG 3.43Å; Q518-C521 PolarHBondContact O-N 3.06Å; C521-L525 VanDerWaalsContact O-CB 3.31Å; C521-L525 WeakPolarHBondContact O-CB 3.38Å; C521-L525 PolarHBondContact O-N 3.22Å
522	N	45.4	Very low	42.9	Very low	54 Å²	54	85.2 Å²	85.2	29%	0.289	44%	0.438	S	S	.	.	H	α-helix	trans	-74.9	-37.3	177.2	-76.3	-10.8	0	0	0	112.7	N213 Q518 I519 I520 E524 L525 V526	N213-N522 VanDerWaalsContact CG-ND2 3.3Å; N213-N522 PolarHBondContact ND2-ND2 3.09Å; N213-N522 PolarHBondContact OD1-ND2 2.93Å; Q518-N522 PolarHBondContact O-N 3.45Å; I519-N522 PolarHBondContact O-N 2.87Å; I520-N522 PolarHBondContact O-N 2.86Å; N522-E524 VanDerWaalsContact C-N 3.33Å; N522-L525 PolarHBondContact O-N 2.8Å; N522-V526 WeakPolarHBondContact O-CG2 3.35Å; N522-V526 PolarHBondContact O-N 3.1Å
523	K	43.7	Very low	43.5	Very low	84 Å²	84	83 Å²	83	37%	0.365	43%	0.432	S	S	.	.	H	α-helix	trans	-55.3	-54	170.4	-172.8	178.4	176.7	-169.8	0	108.7	I519 I520 L525 V526 Y527	I519-K523 WeakPolarHBondContact O-CB 3.47Å; I519-K523 PolarHBondContact O-N 3.09Å; I520-K523 WeakPolarHBondContact O-CB 3.47Å; I520-K523 PolarHBondContact O-N 2.9Å; K523-L525 VanDerWaalsContact C-N 3.35Å; K523-L525 PolarHBondContact O-N 3.24Å; K523-V526 PolarHBondContact O-N 3.22Å; K523-Y527 HydrophobicContact CB-CD2 4.48Å; K523-Y527 HydrophobicContact CD-CD2 4.42Å; K523-Y527 HydrophobicContact CD-CE2 4.07Å; K523-Y527 VanDerWaalsContact CE-CE2 3.45Å; K523-Y527 HydrophobicContact CG-CD2 3.45Å; K523-Y527 VanDerWaalsContact CG-CD2 3.45Å; K523-Y527 HydrophobicContact CG-CE2 3.4Å; K523-Y527 WeakPolarHBondContact O-CB 3.49Å; K523-Y527 WeakPolarHBondContact O-CD2 3.48Å; K523-Y527 PolarHBondContact O-N 3.08Å
524	E	44.4	Very low	43.9	Very low	45 Å²	45	80 Å²	80	21%	0.21	43%	0.425	C	S	.	.	H	α-helix	trans	-59.7	-41	175.4	-70.8	-75.5	160	0	0	112	N431 I520 N522 V526 K528	N431-E524 PolarHBondContact ND2-OE1 2.8Å; I520-E524 HydrophobicContact CG2-CG 4.29Å; I520-E524 VanDerWaalsContact O-CB 3.31Å; I520-E524 WeakPolarHBondContact O-CB 3.1Å; I520-E524 WeakPolarHBondContact O-CG 3.34Å; I520-E524 PolarHBondContact O-N 3.42Å; N522-E524 VanDerWaalsContact C-N 3.33Å; E524-V526 PolarHBondContact O-N 3.49Å; E524-K528 WeakPolarHBondContact O-CA 3.29Å; E524-K528 WeakPolarHBondContact O-CB 3.49Å; E524-K528 VanDerWaalsContact O-CG 3.28Å; E524-K528 WeakPolarHBondContact O-CG 3.39Å; E524-K528 PolarHBondContact O-N 2.93Å; E524-K528 WeakPolarHBondContact OE2-CD 3.24Å; E524-K528 WeakPolarHBondContact OE2-CE 3.46Å; E524-K528 IonicContact OE2-NZ 3.3Å; E524-K528 PolarHBondContact OE2-NZ 3.44Å
525	L	47.3	Very low	44	Very low	71 Å²	71	78.1 Å²	78.1	37%	0.372	42%	0.415	S	S	.	.	H	α-helix	trans	-60	-46.7	177.1	-167.7	75.8	0	0	0	111.1	C521 N522 K523 A529	C521-L525 VanDerWaalsContact O-CB 3.31Å; C521-L525 WeakPolarHBondContact O-CB 3.38Å; C521-L525 PolarHBondContact O-N 3.22Å; N522-L525 PolarHBondContact O-N 2.8Å; K523-L525 VanDerWaalsContact C-N 3.35Å; K523-L525 PolarHBondContact O-N 3.24Å; L525-A529 WeakPolarHBondContact O-CA 3.3Å; L525-A529 WeakPolarHBondContact O-CB 3.32Å; L525-A529 PolarHBondContact O-N 3.3Å
526	V	46.3	Very low	44.2	Very low	54 Å²	54	75.2 Å²	75.2	33%	0.327	40%	0.401	S	S	.	.	H	α-helix	trans	-74.8	-43.4	-178.2	175.4	0	0	0	0	111.6	L449 F450 N522 K523 E524 K528 A529	L449-V526 HydrophobicContact CD1-CG1 4.39Å; F450-V526 HydrophobicContact CE2-CB 4.2Å; F450-V526 HydrophobicContact CE2-CG1 4.19Å; F450-V526 HydrophobicContact CE2-CG2 4.14Å; F450-V526 HydrophobicContact CZ-CB 4.23Å; F450-V526 HydrophobicContact CZ-CG1 4.02Å; F450-V526 HydrophobicContact CZ-CG2 3.84Å; N522-V526 WeakPolarHBondContact O-CG2 3.35Å; N522-V526 PolarHBondContact O-N 3.1Å; K523-V526 PolarHBondContact O-N 3.22Å; E524-V526 PolarHBondContact O-N 3.49Å; V526-K528 VanDerWaalsContact C-N 3.3Å; V526-K528 PolarHBondContact O-N 3.01Å; V526-A529 PolarHBondContact O-N 3.36Å
527	Y	45.4	Very low	44.2	Very low	109 Å²	109	73.6 Å²	73.6	43%	0.427	40%	0.399	S	S	.	.	H	α-helix	trans	-67.1	-30.3	177.3	-78.8	-69.6	0	0	0	112.4	F447 K523	F447-Y527 PolarHBondContact O-OH 3.13Å; F447-Y527 VanDerWaalsContact O-OH 3.13Å; K523-Y527 HydrophobicContact CB-CD2 4.48Å; K523-Y527 HydrophobicContact CD-CD2 4.42Å; K523-Y527 HydrophobicContact CD-CE2 4.07Å; K523-Y527 VanDerWaalsContact CE-CE2 3.45Å; K523-Y527 HydrophobicContact CG-CD2 3.45Å; K523-Y527 VanDerWaalsContact CG-CD2 3.45Å; K523-Y527 HydrophobicContact CG-CE2 3.4Å; K523-Y527 WeakPolarHBondContact O-CB 3.49Å; K523-Y527 WeakPolarHBondContact O-CD2 3.48Å; K523-Y527 PolarHBondContact O-N 3.08Å
528	K	46.6	Very low	44.2	Very low	152 Å²	152	72.6 Å²	72.6	66%	0.661	39%	0.394	S	S	*	.	H	α-helix	trans	-93.1	-13.5	176.2	-66.2	174	163.3	157.9	0	114	E524 V526 P530	E524-K528 WeakPolarHBondContact O-CA 3.29Å; E524-K528 WeakPolarHBondContact O-CB 3.49Å; E524-K528 VanDerWaalsContact O-CG 3.28Å; E524-K528 WeakPolarHBondContact O-CG 3.39Å; E524-K528 PolarHBondContact O-N 2.93Å; E524-K528 WeakPolarHBondContact OE2-CD 3.24Å; E524-K528 WeakPolarHBondContact OE2-CE 3.46Å; E524-K528 IonicContact OE2-NZ 3.3Å; E524-K528 PolarHBondContact OE2-NZ 3.44Å; V526-K528 VanDerWaalsContact C-N 3.3Å; V526-K528 PolarHBondContact O-N 3.01Å; K528-P530 VanDerWaalsContact O-CD 3.22Å; K528-P530 WeakPolarHBondContact O-CD 3.48Å
529	A	47.2	Very low	43.8	Very low	19 Å²	19	74.2 Å²	74.2	16%	0.157	41%	0.405	C	S	.	.			trans	-116.8	62	179.7	0	0	0	0	0	113.1	L525 V526 A531 F532	L525-A529 WeakPolarHBondContact O-CA 3.3Å; L525-A529 WeakPolarHBondContact O-CB 3.32Å; L525-A529 PolarHBondContact O-N 3.3Å; V526-A529 PolarHBondContact O-N 3.36Å; A529-A531 VanDerWaalsContact C-N 3.25Å; A529-A531 PolarHBondContact O-N 3.07Å; A529-A531 VanDerWaalsContact O-N 3.13Å; A529-F532 HydrophobicContact CB-CB 4.16Å; A529-F532 HydrophobicContact CB-CD2 4.29Å
530	P	48.4	Very low	43.3	Very low	109 Å²	109	80.9 Å²	80.9	71%	0.708	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-18	-171.8	24.3	-33.4	0	0	0	115.3	K528 F532	K528-P530 VanDerWaalsContact O-CD 3.22Å; K528-P530 WeakPolarHBondContact O-CD 3.48Å; P530-F532 HydrophobicContact CG-CE2 4.4Å
531	A	43.3	Very low	42.6	Very low	56 Å²	56	84.8 Å²	84.8	46%	0.463	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-6.7	176.3	0	0	0	0	0	114	A529	A529-A531 VanDerWaalsContact C-N 3.25Å; A529-A531 PolarHBondContact O-N 3.07Å; A529-A531 VanDerWaalsContact O-N 3.13Å
532	F	47.9	Very low	42.3	Very low	51 Å²	51	86.4 Å²	86.4	22%	0.224	46%	0.459	C	S	.	.	H	α-helix	trans	-82.6	-27.9	-164.7	-58	-91.6	0	0	0	113.5	A529 P530 L534 L535 A536	A529-F532 HydrophobicContact CB-CB 4.16Å; A529-F532 HydrophobicContact CB-CD2 4.29Å; P530-F532 HydrophobicContact CG-CE2 4.4Å; F532-L534 VanDerWaalsContact C-N 3.31Å; F532-L534 PolarHBondContact O-N 3.36Å; F532-L535 WeakPolarHBondContact O-CB 3.35Å; F532-L535 PolarHBondContact O-N 2.81Å; F532-A536 WeakPolarHBondContact O-CB 3.4Å; F532-A536 PolarHBondContact O-N 3.28Å
533	T	47.1	Very low	41.7	Very low	61 Å²	61	89.8 Å²	89.8	37%	0.374	48%	0.477	S	S	.	.	H	α-helix	trans	-66	-36	176.5	-46.4	0	0	0	0	111.3	C537	T533-C537 PolarHBondContact O-N 2.81Å; T533-C537 PolarHBondContact O-SG 3.5Å
534	L	41.7	Very low	40.8	Very low	130 Å²	130	94 Å²	94	68%	0.681	50%	0.495	S	S	*	.	H	α-helix	trans	-64.7	-47.3	172.3	-75.9	164.9	0	0	0	110.8	F532 A536 C537 L538	F532-L534 VanDerWaalsContact C-N 3.31Å; F532-L534 PolarHBondContact O-N 3.36Å; L534-A536 PolarHBondContact O-N 3.4Å; L534-C537 PolarHBondContact O-N 3.43Å; L534-L538 WeakPolarHBondContact O-CD1 3.33Å; L534-L538 WeakPolarHBondContact O-CG 3.39Å; L534-L538 PolarHBondContact O-N 3.1Å
535	L	41.3	Very low	40.1	Very low	49 Å²	49	101.4 Å²	101.4	26%	0.257	52%	0.523	S	S	.	.	H	α-helix	trans	-59.8	-43.9	177.8	-93.7	157	0	0	0	113.8	F532 C537 L538 N539 I634	F532-L535 WeakPolarHBondContact O-CB 3.35Å; F532-L535 PolarHBondContact O-N 2.81Å; L535-C537 VanDerWaalsContact C-N 3.3Å; L535-C537 PolarHBondContact O-N 3.02Å; L535-L538 PolarHBondContact O-N 2.9Å; L535-L538 VanDerWaalsContact O-N 3.16Å; L535-N539 PolarHBondContact O-N 3.02Å; L535-I634 HydrophobicContact CD1-CD1 3.84Å; L535-I634 HydrophobicContact CD1-CG1 4.43Å; L535-I634 HydrophobicContact CD2-CD1 3.89Å; L535-I634 HydrophobicContact CD2-CG1 3.52Å; L535-I634 HydrophobicContact CG-CD1 3.98Å; L535-I634 HydrophobicContact CG-CG1 4.13Å
536	A	45.4	Very low	39.3	Very low	15 Å²	15	104 Å²	104	12%	0.124	54%	0.537	C	S	.	.	H	α-helix	trans	-59	-44.7	176.5	0	0	0	0	0	110.4	F532 L534 L538 L600 L601	F532-A536 WeakPolarHBondContact O-CB 3.4Å; F532-A536 PolarHBondContact O-N 3.28Å; L534-A536 PolarHBondContact O-N 3.4Å; A536-L538 VanDerWaalsContact C-N 3.3Å; A536-L538 PolarHBondContact O-N 3.3Å; A536-L600 HydrophobicContact CB-CD2 3.49Å; A536-L600 VanDerWaalsContact CB-CD2 3.49Å; A536-L600 HydrophobicContact CB-CG 3.93Å; A536-L600 WeakPolarHBondContact O-CD1 3.43Å; A536-L600 VanDerWaalsContact O-CD2 3.27Å; A536-L600 WeakPolarHBondContact O-CD2 3.1Å; A536-L600 WeakPolarHBondContact O-CG 3.46Å; A536-L601 HydrophobicContact CB-CD2 4.43Å
537	C	40.1	Very low	38.5	Very low	88 Å²	88	110.3 Å²	110.3	60%	0.595	56%	0.56	S	S	*	*	H	α-helix	trans	-67.9	-25.7	177.8	-66.4	0	0	0	0	113.9	T533 L534 L535	T533-C537 PolarHBondContact O-N 2.81Å; T533-C537 PolarHBondContact O-SG 3.5Å; L534-C537 PolarHBondContact O-N 3.43Å; L535-C537 VanDerWaalsContact C-N 3.3Å; L535-C537 PolarHBondContact O-N 3.02Å
538	L	36.5	Very low	37.8	Very low	72 Å²	72	110.4 Å²	110.4	38%	0.377	57%	0.574	S	S	.	*	H	α-helix	trans	-82	-22.4	-177.5	-70	166.2	0	0	0	113.7	L534 L535 A536 K540 F637	L534-L538 WeakPolarHBondContact O-CD1 3.33Å; L534-L538 WeakPolarHBondContact O-CG 3.39Å; L534-L538 PolarHBondContact O-N 3.1Å; L535-L538 PolarHBondContact O-N 2.9Å; L535-L538 VanDerWaalsContact O-N 3.16Å; A536-L538 VanDerWaalsContact C-N 3.3Å; A536-L538 PolarHBondContact O-N 3.3Å; L538-K540 PolarHBondContact O-N 3.39Å; L538-F637 HydrophobicContact CB-CE1 4.36Å; L538-F637 HydrophobicContact CB-CZ 4.27Å; L538-F637 HydrophobicContact CD2-CE1 3.7Å; L538-F637 HydrophobicContact CD2-CZ 3.94Å; L538-F637 HydrophobicContact CG-CE1 4.44Å; L538-F637 WeakPolarHBondContact O-CE2 3.27Å
539	N	33.4	Very low	36.8	Very low	129 Å²	129	112.3 Å²	112.3	69%	0.69	59%	0.585	S	S	*	*			trans	-80.7	25.5	-173.7	-135.9	26.4	0	0	0	114.7	L535 Q541	L535-N539 PolarHBondContact O-N 3.02Å; N539-Q541 PolarHBondContact O-N 2.99Å
540	K	31.7	Very low	36	Very low	183 Å²	183	118.9 Å²	118.9	80%	0.796	62%	0.616	S	S	*	*			trans	-71.1	89.6	166.9	-75.8	-172	176.9	-176	0	108.9	L538	L538-K540 PolarHBondContact O-N 3.39Å
541	Q	29.7	Very low	35	Very low	167 Å²	167	118.5 Å²	118.5	78%	0.78	62%	0.616	S	S	*	*			trans	-92.6	127.9	150.3	-86.3	-148.2	-44.7	0	0	109.3	N539 D543	N539-Q541 PolarHBondContact O-N 2.99Å; Q541-D543 PolarHBondContact O-N 2.56Å
542	P	35.7	Very low	34.1	Very low	116 Å²	116	123.4 Å²	123.4	75%	0.753	63%	0.634	S	S	*	*			trans	-91.6	86.2	-175.6	35.1	-30.6	0	0	0	110.4
543	D	32	Very low	33.3	Very low	126 Å²	126	129.1 Å²	129.1	67%	0.674	67%	0.666	S	S	*	*			trans	-123	112.5	167.2	-75.6	-43.7	0	0	0	108.5	Q541	Q541-D543 PolarHBondContact O-N 2.56Å
544	K	25.4	Very low	32.4	Very low	173 Å²	173	135.5 Å²	135.5	75%	0.752	69%	0.689	S	S	*	*				68.4	111.9	75.2	-79.1	-172.5	177.1	177.7	0	112.4
545	Y	30.8	Very low	31.5	Very low	200 Å²	200	136.1 Å²	136.1	78%	0.784	69%	0.686	S	S	*	*			trans	81.2	119.4	164.6	-69.1	-82.2	0	0	0	120.2
546	D	29.5	Very low	30.8	Very low	126 Å²	126	136.9 Å²	136.9	67%	0.674	70%	0.7	S	S	*	*			trans	86.3	102.5	136.1	-66.1	-31.9	0	0	0	122.5
547	K	28.6	Very low	29.8	Very low	185 Å²	185	140.4 Å²	140.4	80%	0.804	72%	0.72	S	S	*	*				69.8	128.1	129.4	-70.9	-178	178.8	175.6	0	119.9	E549	K547-E549 PolarHBondContact O-N 3.01Å
548	P	32	Very low	29.3	Very low	112 Å²	112	142 Å²	142	73%	0.727	72%	0.722	S	S	*	*			trans	-95.6	85.2	-170.3	37.8	-29.6	0	0	0	111.2	I550	P548-I550 VanDerWaalsContact C-N 3.31Å; P548-I550 HydrophobicContact CB-CD1 4.18Å; P548-I550 HydrophobicContact CB-CG1 4.08Å; P548-I550 PolarHBondContact O-N 3.24Å
549	E	25.8	Very low	29	Very low	192 Å²	192	146.3 Å²	146.3	90%	0.897	75%	0.745	S	S	*	*			trans	-88.7	79.1	159.4	-72.7	-169.8	-175.7	0	0	109.2	K547 S551	K547-E549 PolarHBondContact O-N 3.01Å; E549-S551 VanDerWaalsContact C-N 3.28Å; E549-S551 PolarHBondContact O-N 2.79Å
550	I	29.2	Very low	29	Very low	157 Å²	157	147.4 Å²	147.4	81%	0.805	75%	0.75	S	S	*	*			trans	-76.9	77.1	177.4	-53.3	169.1	0	0	0	108	P548	P548-I550 VanDerWaalsContact C-N 3.31Å; P548-I550 HydrophobicContact CB-CD1 4.18Å; P548-I550 HydrophobicContact CB-CG1 4.08Å; P548-I550 PolarHBondContact O-N 3.24Å
551	S	27.9	Very low	28.8	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	75%	0.745	S	S	*	*			trans	-134.5	5.3	177.3	-156.4	0	0	0	0	116.4	E549	E549-S551 VanDerWaalsContact C-N 3.28Å; E549-S551 PolarHBondContact O-N 2.79Å
552	N	23.7	Very low	28.8	Very low	159 Å²	159	141.2 Å²	141.2	85%	0.85	73%	0.731	S	S	*	*			trans	-130.1	63.6	175.4	-73	-37	0	0	0	112.4	F554	N552-F554 PolarHBondContact O-N 3.06Å
553	L	31.3	Very low	28.3	Very low	170 Å²	170	139.6 Å²	139.6	89%	0.89	72%	0.719	S	S	*	*			trans	-82.3	113.6	168.3	-154.6	71.7	0	0	0	108.8	K555	L553-K555 PolarHBondContact O-N 2.73Å
554	F	29	Very low	28.1	Very low	195 Å²	195	141 Å²	141	86%	0.855	72%	0.721	S	S	*	*			trans	-43.5	121.8	-175.8	-97.1	-104.1	0	0	0	114.2	N552	N552-F554 PolarHBondContact O-N 3.06Å
555	K	23	Very low	28	Very low	143 Å²	143	137.4 Å²	137.4	62%	0.622	72%	0.716	S	S	*	*			trans	-83.8	114.7	162.3	-83	171.7	172.5	177.5	0	108.7	L553 T557 P562	L553-K555 PolarHBondContact O-N 2.73Å; K555-T557 PolarHBondContact O-N 2.87Å; K555-P562 HydrophobicContact CB-CB 3.87Å; K555-P562 HydrophobicContact CD-CB 3.83Å; K555-P562 HydrophobicContact CD-CG 4.46Å; K555-P562 HydrophobicContact CG-CB 4.19Å
556	A	26.2	Very low	27.7	Very low	65 Å²	65	135.2 Å²	135.2	54%	0.537	72%	0.716	S	S	.	*			trans	-61.6	131.9	171.9	0	0	0	0	0	109.9	P562 V563	A556-P562 WeakPolarHBondContact O-CA 3.4Å; A556-V563 PolarHBondContact O-N 3.45Å
557	T	24.4	Very low	27.6	Very low	89 Å²	89	137.6 Å²	137.6	55%	0.546	72%	0.721	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.8	126.5	-178.4	21.2	0	0	0	0	109.6	K555	K555-T557 PolarHBondContact O-N 2.87Å
558	I	29.7	Very low	27.2	Very low	123 Å²	123	136.3 Å²	136.3	63%	0.631	72%	0.717	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.1	119.4	165.8	-61.5	177.2	0	0	0	105.9	N560 Q561	I558-N560 VanDerWaalsContact C-N 3.31Å; I558-N560 PolarHBondContact O-N 3.26Å; I558-Q561 PolarHBondContact N-O 3.47Å; I558-Q561 PolarHBondContact O-N 2.99Å
559	N	30.3	Very low	26.9	Very low	161 Å²	161	135.5 Å²	135.5	86%	0.861	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.7	49.2	-172.5	-69.7	-10.2	0	0	0	113.9	Q561	N559-Q561 PolarHBondContact O-N 3.39Å; N559-Q561 VanDerWaalsContact O-N 3.14Å
560	N	33.6	Very low	26.8	Very low	152 Å²	152	135 Å²	135	81%	0.813	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	60	16.5	176.2	-68.5	-5.2	0	0	0	116.6	I558	I558-N560 VanDerWaalsContact C-N 3.31Å; I558-N560 PolarHBondContact O-N 3.26Å
561	Q	26.5	Very low	26.8	Very low	146 Å²	146	136.7 Å²	136.7	68%	0.682	70%	0.703	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.8	137.4	160.8	-69.8	-144	-26.6	0	0	111.8	I558 N559	I558-Q561 PolarHBondContact N-O 3.47Å; I558-Q561 PolarHBondContact O-N 2.99Å; N559-Q561 PolarHBondContact O-N 3.39Å; N559-Q561 VanDerWaalsContact O-N 3.14Å
562	P	29.2	Very low	26.9	Very low	74 Å²	74	140.8 Å²	140.8	48%	0.481	71%	0.711	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.3	126.6	-176.3	28.7	-32.5	0	0	0	110.4	K555 A556	K555-P562 HydrophobicContact CB-CB 3.87Å; K555-P562 HydrophobicContact CD-CB 3.83Å; K555-P562 HydrophobicContact CD-CG 4.46Å; K555-P562 HydrophobicContact CG-CB 4.19Å; A556-P562 WeakPolarHBondContact O-CA 3.4Å
563	V	25.3	Very low	27.1	Very low	82 Å²	82	140.1 Å²	140.1	50%	0.497	71%	0.707	S	S	.	*			trans	-121	120.9	175.1	-178.8	0	0	0	0	108.5	A556	A556-V563 PolarHBondContact O-N 3.45Å
564	E	28	Very low	26.8	Very low	155 Å²	155	140.3 Å²	140.3	72%	0.724	70%	0.704	S	S	*	*			trans	-71.3	133.2	170.5	-85.3	-179.5	166.9	0	0	110.2	I566	E564-I566 PolarHBondContact O-N 2.82Å
565	P	25	Very low	26.5	Very low	99 Å²	99	139.3 Å²	139.3	64%	0.643	71%	0.706	S	S	*	*			trans	-71.6	102.2	-179.6	28.1	-32.2	0	0	0	110.2	F567	P565-F567 HydrophobicContact CB-CE2 4.17Å; P565-F567 HydrophobicContact CG-CE2 4.38Å; P565-F567 PolarHBondContact O-N 3.25Å
566	I	23.5	Very low	26.7	Very low	153 Å²	153	137.4 Å²	137.4	79%	0.785	71%	0.707	S	S	*	*			trans	-74.9	104.9	168.7	-56.1	171.2	0	0	0	107.3	E564 E568	E564-I566 PolarHBondContact O-N 2.82Å; I566-E568 HydrophobicContact CG2-CG 4.41Å; I566-E568 PolarHBondContact O-N 3.43Å
567	F	27.1	Very low	26.6	Very low	177 Å²	177	141.3 Å²	141.3	78%	0.776	71%	0.714	S	S	*	*			trans	-77.6	98.7	163.9	-68.1	-86.2	0	0	0	107.8	P565 T569	P565-F567 HydrophobicContact CB-CE2 4.17Å; P565-F567 HydrophobicContact CG-CE2 4.38Å; P565-F567 PolarHBondContact O-N 3.25Å; F567-T569 VanDerWaalsContact C-N 3.33Å; F567-T569 PolarHBondContact O-N 3Å
568	E	20.3	Very low	26.7	Very low	158 Å²	158	144.7 Å²	144.7	74%	0.738	73%	0.727	S	S	*	*			trans	-65.8	89.5	170.5	-89.1	-172.5	163.1	0	0	110.1	I566 K570	I566-E568 HydrophobicContact CG2-CG 4.41Å; I566-E568 PolarHBondContact O-N 3.43Å; E568-K570 PolarHBondContact O-N 3.49Å
569	T	26.1	Very low	26.5	Very low	95 Å²	95	144.4 Å²	144.4	58%	0.583	73%	0.727	S	S	*	*			trans	-80.1	99.6	157.8	33.9	0	0	0	0	108.5	F567 Y571	F567-T569 VanDerWaalsContact C-N 3.33Å; F567-T569 PolarHBondContact O-N 3Å; T569-Y571 PolarHBondContact O-N 3.4Å
570	K	23.3	Very low	26.3	Very low	182 Å²	182	146.4 Å²	146.4	79%	0.791	73%	0.73	S	S	*	*			trans	-67	98	169.9	-65.8	-174.5	179.2	-175.4	0	109.1	E568	E568-K570 PolarHBondContact O-N 3.49Å
571	Y	30.1	Very low	25.9	Very low	192 Å²	192	144.2 Å²	144.2	75%	0.753	73%	0.727	S	S	*	*			trans	-85.8	111.3	158	-75.8	-87.6	0	0	0	106.7	T569 D573	T569-Y571 PolarHBondContact O-N 3.4Å; Y571-D573 PolarHBondContact O-N 3Å
572	E	28.6	Very low	25.8	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	74%	0.735	S	S	*	*	S	Bend	trans	-60.4	129.1	163.4	-80.1	179.8	156.5	0	0	108
573	D	27.7	Very low	25.8	Very low	145 Å²	145	150.6 Å²	150.6	78%	0.775	75%	0.752	S	S	*	*	S	Bend	trans	68.4	67.5	170.5	-55.9	-20.3	0	0	0	118.1	Y571	Y571-D573 PolarHBondContact O-N 3Å
574	Q	26.8	Very low	26	Very low	173 Å²	173	153.6 Å²	153.6	81%	0.808	77%	0.766	S	S	*	*				-174.5	109.2	125.7	-99.1	159.7	58.2	0	0	110.9	V576	Q574-V576 VanDerWaalsContact C-N 3.29Å; Q574-V576 HydrophobicContact CB-CG2 4.46Å; Q574-V576 PolarHBondContact O-N 3.3Å
575	L	22.6	Very low	26.1	Very low	174 Å²	174	153 Å²	153	91%	0.911	77%	0.767	S	S	*	*			trans	-61.6	89.6	162.5	-90.3	133.4	0	0	0	108.8
576	V	26	Very low	26.3	Very low	104 Å²	104	155.8 Å²	155.8	63%	0.63	78%	0.777	S	S	*	*			trans	-108.5	94	159.2	-174.7	0	0	0	0	106.6	Q574 I578	Q574-V576 VanDerWaalsContact C-N 3.29Å; Q574-V576 HydrophobicContact CB-CG2 4.46Å; Q574-V576 PolarHBondContact O-N 3.3Å; V576-I578 PolarHBondContact O-N 3.5Å
577	Q	23.8	Very low	26.6	Very low	147 Å²	147	154.7 Å²	154.7	69%	0.687	78%	0.777	S	S	*	*			trans	-54.3	106.5	161.3	-73.7	179.8	-19.5	0	0	107.2	N579	Q577-N579 PolarHBondContact O-N 2.86Å
578	I	27	Very low	26.9	Very low	159 Å²	159	152.3 Å²	152.3	82%	0.815	78%	0.777	S	S	*	*			trans	-74.9	75.7	167.3	-53.8	176.4	0	0	0	105.9	V576 H580	V576-I578 PolarHBondContact O-N 3.5Å; I578-H580 PolarHBondContact O-N 3.37Å
579	N	25.6	Very low	27.3	Very low	118 Å²	118	151.3 Å²	151.3	63%	0.631	78%	0.777	S	S	*	*			trans	-68.6	126.2	163.4	-77.5	-34.5	0	0	0	106.8	Q577 S581	Q577-N579 PolarHBondContact O-N 2.86Å; N579-S581 PolarHBondContact O-N 3.46Å
580	H	26.5	Very low	27.4	Very low	203 Å²	203	151.3 Å²	151.3	94%	0.94	78%	0.781	S	S	*	*			trans	-49.4	99	172.4	-78.1	-80.7	0	0	0	111.2	I578	I578-H580 PolarHBondContact O-N 3.37Å
581	S	24.5	Very low	27.5	Very low	106 Å²	106	149 Å²	149	74%	0.741	78%	0.777	S	S	*	*			trans	-116.5	115.2	152.1	55	0	0	0	0	106.8	N579 D583	N579-S581 PolarHBondContact O-N 3.46Å; S581-D583 PolarHBondContact O-N 2.81Å
582	K	25.1	Very low	27.3	Very low	197 Å²	197	143.6 Å²	143.6	86%	0.857	76%	0.764	S	S	*	*			trans	-49.7	118.8	163.9	-64.5	171.5	175.3	179.7	0	107.3
583	D	28.3	Very low	27.3	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	75%	0.748	S	S	*	*			trans	-179.5	146.2	145.4	-84.5	-19.9	0	0	0	109.3	S581	S581-D583 PolarHBondContact O-N 2.81Å
584	D	29.5	Very low	27.5	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	74%	0.744	S	S	*	*			trans	-76.5	165.8	-150.7	-68.1	-51	0	0	0	117.3
585	D	31	Very low	27.7	Very low	141 Å²	141	134.1 Å²	134.1	75%	0.754	73%	0.726	S	S	*	*			trans	61	83.1	154.6	-66.6	-20.9	0	0	0	120
586	N	30	Very low	28	Very low	159 Å²	159	131.6 Å²	131.6	85%	0.85	71%	0.71	S	S	*	*			trans	-133.9	85.6	149.5	-90.3	-44.1	0	0	0	110.1	V588	N586-V588 PolarHBondContact O-N 3.34Å
587	T	28.7	Very low	28.3	Very low	129 Å²	129	130.3 Å²	130.3	79%	0.791	71%	0.705	S	S	*	*			trans	-69.8	73.7	169.5	40.3	0	0	0	0	110.2	N589	T587-N589 PolarHBondContact O-N 3.22Å; T587-N589 VanDerWaalsContact O-N 3.15Å
588	V	33.2	Very low	28.9	Very low	127 Å²	127	132.6 Å²	132.6	77%	0.77	71%	0.713	S	S	*	*			trans	-67.8	112.1	167.7	178.3	0	0	0	0	107.5	N586 S590	N586-V588 PolarHBondContact O-N 3.34Å; V588-S590 VanDerWaalsContact C-N 3.28Å; V588-S590 PolarHBondContact O-N 3.46Å
589	N	28	Very low	29.3	Very low	137 Å²	137	127.4 Å²	127.4	73%	0.733	70%	0.698	S	S	*	*			trans	-48.6	84.6	176.6	-74.7	-34.8	0	0	0	112.4	T587 L591	T587-N589 PolarHBondContact O-N 3.22Å; T587-N589 VanDerWaalsContact O-N 3.15Å; N589-L591 PolarHBondContact O-N 3.43Å; N589-L591 VanDerWaalsContact O-N 3.09Å
590	S	29.7	Very low	29.6	Very low	96 Å²	96	124.9 Å²	124.9	67%	0.671	69%	0.685	S	S	*	*			trans	-69.3	100.2	167.1	178.4	0	0	0	0	107.5	V588 T592	V588-S590 VanDerWaalsContact C-N 3.28Å; V588-S590 PolarHBondContact O-N 3.46Å; S590-T592 PolarHBondContact O-N 3.39Å
591	L	25.8	Very low	29.9	Very low	134 Å²	134	118.2 Å²	118.2	70%	0.702	66%	0.656	S	S	*	*			trans	-65	85.2	163.6	-81.8	103.4	0	0	0	107.9	N589	N589-L591 PolarHBondContact O-N 3.43Å; N589-L591 VanDerWaalsContact O-N 3.09Å
592	T	25.3	Very low	30.4	Very low	78 Å²	78	116.9 Å²	116.9	48%	0.479	65%	0.646	S	S	.	*			trans	-58.7	135.3	170.3	43.7	0	0	0	0	109	S590 I594	S590-T592 PolarHBondContact O-N 3.39Å; T592-I594 PolarHBondContact O-N 3.16Å
593	P	27.6	Very low	30.9	Very low	84 Å²	84	112 Å²	112	55%	0.545	64%	0.637	S	S	.	*			trans	-57.5	136	178.3	21.5	-30.5	0	0	0	109.8	I595 H596	P593-I595 CarbonylContact O-C 3.59Å; P593-I595 PolarHBondContact O-N 2.92Å; P593-H596 PolarHBondContact O-N 3.41Å
594	I	31.9	Very low	31.3	Very low	135 Å²	135	107.6 Å²	107.6	69%	0.692	62%	0.616	S	S	*	*	S	Bend	trans	-57.6	-13	179.8	-68.5	172.2	0	0	0	112.2	T592 H596	T592-I594 PolarHBondContact O-N 3.16Å; I594-H596 VanDerWaalsContact C-N 3.33Å; I594-H596 PolarHBondContact O-N 3.25Å
595	I	32.5	Very low	31.7	Very low	86 Å²	86	104.8 Å²	104.8	44%	0.441	60%	0.6	S	S	.	*	S	Bend	trans	-86.6	81.6	159.8	-48.6	175.9	0	0	0	107.4	P593 S597	P593-I595 CarbonylContact O-C 3.59Å; P593-I595 PolarHBondContact O-N 2.92Å; I595-S597 PolarHBondContact O-N 3.25Å
596	H	28	Very low	32.2	Very low	122 Å²	122	104 Å²	104	57%	0.565	60%	0.596	S	S	*	*			trans	-53	104.5	166.4	-95.6	-92.2	0	0	0	108.2	P593 I594 K598	P593-H596 PolarHBondContact O-N 3.41Å; I594-H596 VanDerWaalsContact C-N 3.33Å; I594-H596 PolarHBondContact O-N 3.25Å; H596-K598 PolarHBondContact O-N 3.38Å
597	S	33.2	Very low	32.8	Very low	76 Å²	76	104.7 Å²	104.7	53%	0.531	59%	0.594	S	S	.	*			trans	-71.2	12.8	178.2	52.7	0	0	0	0	113.5	I595 G599	I595-S597 PolarHBondContact O-N 3.25Å; S597-G599 PolarHBondContact O-N 3.39Å
598	K	34.8	Very low	33.9	Very low	196 Å²	196	103 Å²	103	85%	0.852	57%	0.573	S	S	*	*	S	Bend	trans	-76.1	29.3	-175.9	-72.8	-168.1	175.7	-175.6	0	114.7	H596	H596-K598 PolarHBondContact O-N 3.38Å
599	G	36.3	Very low	34.9	Very low	49 Å²	49	102.5 Å²	102.5	51%	0.505	57%	0.571	S	S	.	*	S	Bend	trans	165.8	-19.5	169.5	0	0	0	0	0	115.5	S597	S597-G599 PolarHBondContact O-N 3.39Å
600	L	32.8	Very low	36.4	Very low	66 Å²	66	101.3 Å²	101.3	35%	0.346	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	-32	-167.3	-145.1	82.2	0	0	0	114.3	A536	A536-L600 HydrophobicContact CB-CD2 3.49Å; A536-L600 VanDerWaalsContact CB-CD2 3.49Å; A536-L600 HydrophobicContact CB-CG 3.93Å; A536-L600 WeakPolarHBondContact O-CD1 3.43Å; A536-L600 VanDerWaalsContact O-CD2 3.27Å; A536-L600 WeakPolarHBondContact O-CD2 3.1Å; A536-L600 WeakPolarHBondContact O-CG 3.46Å
601	L	32.4	Very low	38	Very low	63 Å²	63	99.5 Å²	99.5	33%	0.33	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-36.7	-174	-67.5	173.1	0	0	0	112.9	A536 S603 T604	A536-L601 HydrophobicContact CB-CD2 4.43Å; L601-S603 PolarHBondContact O-N 3.46Å; L601-T604 PolarHBondContact O-N 3.43Å; L601-T604 PolarHBondContact O-OG1 3.35Å
602	S	34.5	Very low	40.3	Very low	77 Å²	77	99.6 Å²	99.6	54%	0.538	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-64.8	-40.6	-173	-93.4	0	0	0	0	114	T604 L605	S602-T604 PolarHBondContact O-N 2.81Å; S602-L605 PolarHBondContact O-N 3.01Å
603	S	34.7	Very low	42.8	Very low	96 Å²	96	99.2 Å²	99.2	67%	0.671	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-62.6	-14.4	-177.6	61.4	0	0	0	0	113.8	L601	L601-S603 PolarHBondContact O-N 3.46Å
604	T	36.8	Very low	45	Very low	63 Å²	63	99.7 Å²	99.7	39%	0.387	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-101.7	-8.3	-176	68.5	0	0	0	0	114	L601 S602 R608	L601-T604 PolarHBondContact O-N 3.43Å; L601-T604 PolarHBondContact O-OG1 3.35Å; S602-T604 PolarHBondContact O-N 2.81Å; T604-R608 VanDerWaalsContact O-CZ 3.28Å; T604-R608 PolarHBondContact O-NE 3.31Å; T604-R608 PolarHBondContact O-NH2 3.46Å; T604-R608 PolarHBondContact OG1-NH2 3.47Å
605	L	38.2	Very low	47.1	Very low	87 Å²	87	96.4 Å²	96.4	46%	0.455	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-25.9	-167.8	-79.8	160.2	0	0	0	114.9	S602 E607 R608	S602-L605 PolarHBondContact O-N 3.01Å; L605-E607 VanDerWaalsContact C-N 3.3Å; L605-E607 PolarHBondContact O-N 2.81Å; L605-R608 WeakPolarHBondContact O-CB 3.44Å; L605-R608 PolarHBondContact O-N 3.08Å
606	D	42.3	Very low	49	Very low	123 Å²	123	97.4 Å²	97.4	66%	0.658	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.9	-169	-70	-25.2	0	0	0	113.9
607	E	42.8	Very low	51.3	Low	174 Å²	174	97.8 Å²	97.8	81%	0.813	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	2.6	177.6	-64.4	-170.5	164.4	0	0	114.1	L605 V609	L605-E607 VanDerWaalsContact C-N 3.3Å; L605-E607 PolarHBondContact O-N 2.81Å; E607-V609 PolarHBondContact O-N 3.2Å
608	R	52.1	Low	53.2	Low	93 Å²	93	96.4 Å²	96.4	35%	0.351	53%	0.527	S	S	.	.			trans	-90.3	9.2	-173.3	-58.3	-165.3	-154.5	171.6	9.6	115.2	T604 L605 W610	T604-R608 VanDerWaalsContact O-CZ 3.28Å; T604-R608 PolarHBondContact O-NE 3.31Å; T604-R608 PolarHBondContact O-NH2 3.46Å; T604-R608 PolarHBondContact OG1-NH2 3.47Å; L605-R608 WeakPolarHBondContact O-CB 3.44Å; L605-R608 PolarHBondContact O-N 3.08Å; R608-W610 PolarHBondContact O-N 3.07Å
609	V	53.9	Low	55.1	Low	118 Å²	118	87.5 Å²	87.5	72%	0.715	49%	0.489	S	S	*	.			trans	-75.4	118.3	-178	-174.2	0	0	0	0	109.3	E607 D611	E607-V609 PolarHBondContact O-N 3.2Å; V609-D611 PolarHBondContact O-N 3.3Å
610	W	59.3	Low	57.1	Low	112 Å²	112	89.3 Å²	89.3	42%	0.424	48%	0.484	S	S	.	.			trans	-60	108.2	166.8	-174.8	-83.2	0	0	0	108.6	R608 T612 N616 N619 Q620	R608-W610 PolarHBondContact O-N 3.07Å; W610-T612 PolarHBondContact O-N 2.8Å; W610-T612 VanDerWaalsContact O-N 3.17Å; W610-N616 HydrophobicContact CH2-CB 4.4Å; W610-N616 HydrophobicContact CZ2-CB 3.98Å; W610-N616 WeakPolarHBondContact CZ2-OD1 3.46Å; W610-N619 HydrophobicContact CD2-CB 3.58Å; W610-N619 HydrophobicContact CE3-CB 3.48Å; W610-N619 VanDerWaalsContact CE3-CB 3.48Å; W610-N619 HydrophobicContact CG-CB 4.39Å; W610-N619 HydrophobicContact CH2-CB 3.59Å; W610-N619 HydrophobicContact CZ2-CB 3.68Å; W610-N619 HydrophobicContact CZ3-CB 3.47Å; W610-N619 VanDerWaalsContact CZ3-CB 3.47Å; W610-N619 PolarHBondContact NE1-ND2 2.93Å; W610-N619 VanDerWaalsContact NE1-ND2 3.12Å; W610-Q620 HydrophobicContact CH2-CG 3.9Å; W610-Q620 HydrophobicContact CZ3-CG 4.21Å
611	D	63.6	Low	59.1	Low	58 Å²	58	86.5 Å²	86.5	31%	0.31	47%	0.47	S	S	.	.			trans	-74.9	107.4	-177.4	-175.8	-15.4	0	0	0	109.2	V609 G613 K614 N619	V609-D611 PolarHBondContact O-N 3.3Å; D611-G613 PolarHBondContact O-N 3.08Å; D611-G613 WeakPolarHBondContact OD1-CA 3.3Å; D611-G613 PolarHBondContact OD1-N 2.73Å; D611-K614 HydrophobicContact CB-CB 4.12Å; D611-K614 HydrophobicContact CB-CD 3.83Å; D611-K614 HydrophobicContact CB-CG 4.02Å; D611-K614 PolarHBondContact O-N 2.99Å; D611-K614 VanDerWaalsContact OD2-CD 3.25Å; D611-K614 WeakPolarHBondContact OD2-CD 3.36Å; D611-K614 WeakPolarHBondContact OD2-CE 3.47Å; D611-K614 WeakPolarHBondContact OD2-CG 3.39Å; D611-K614 IonicContact OD2-NZ 3.38Å; D611-K614 PolarHBondContact OD2-NZ 3.06Å; D611-N619 PolarHBondContact O-ND2 3.16Å
612	T	73.3	Confident	61	Low	135 Å²	135	86.5 Å²	86.5	83%	0.828	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.3	178.6	53.2	0	0	0	0	112.8	W610 K614	W610-T612 PolarHBondContact O-N 2.8Å; W610-T612 VanDerWaalsContact O-N 3.17Å; T612-K614 VanDerWaalsContact C-N 3.34Å
613	G	77.7	Confident	62.8	Low	71 Å²	71	88 Å²	88	73%	0.732	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-13	171.3	0	0	0	0	0	113.9	D611	D611-G613 PolarHBondContact O-N 3.08Å; D611-G613 WeakPolarHBondContact OD1-CA 3.3Å; D611-G613 PolarHBondContact OD1-N 2.73Å
614	K	74.3	Confident	64.9	Low	94 Å²	94	88.3 Å²	88.3	41%	0.409	46%	0.455	S	S	.	.	S	Bend	trans	-100.6	153.1	176.2	-70	174.1	-172.9	152.1	0	111.1	D611 T612 I618 N619	D611-K614 HydrophobicContact CB-CB 4.12Å; D611-K614 HydrophobicContact CB-CD 3.83Å; D611-K614 HydrophobicContact CB-CG 4.02Å; D611-K614 PolarHBondContact O-N 2.99Å; D611-K614 VanDerWaalsContact OD2-CD 3.25Å; D611-K614 WeakPolarHBondContact OD2-CD 3.36Å; D611-K614 WeakPolarHBondContact OD2-CE 3.47Å; D611-K614 WeakPolarHBondContact OD2-CG 3.39Å; D611-K614 IonicContact OD2-NZ 3.38Å; D611-K614 PolarHBondContact OD2-NZ 3.06Å; T612-K614 VanDerWaalsContact C-N 3.34Å; K614-I618 HydrophobicContact CB-CB 4.38Å; K614-I618 HydrophobicContact CB-CG2 4.25Å; K614-I618 HydrophobicContact CD-CG2 3.83Å; K614-I618 HydrophobicContact CG-CG2 4.33Å; K614-N619 WeakPolarHBondContact CB-OD1 3.5Å
615	C	76.1	Confident	66.5	Low	66 Å²	66	86.8 Å²	86.8	45%	0.446	44%	0.443	S	S	.	.			trans	-69.3	152.1	175	76.5	0	0	0	0	110.8	R617 I618 N619	C615-R617 PolarHBondContact O-N 3.35Å; C615-I618 PolarHBondContact O-N 3.43Å; C615-I618 VanDerWaalsContact SG-CG1 3.57Å; C615-N619 PolarHBondContact O-N 2.94Å
616	N	72.7	Confident	68	Low	106 Å²	106	84.9 Å²	84.9	57%	0.567	43%	0.432	S	S	*	.	H	α-helix	trans	-51.6	-34.4	179.1	-66.7	-14.5	0	0	0	113	W610 N619 Q620	W610-N616 HydrophobicContact CH2-CB 4.4Å; W610-N616 HydrophobicContact CZ2-CB 3.98Å; W610-N616 WeakPolarHBondContact CZ2-OD1 3.46Å; N616-N619 PolarHBondContact O-N 3.29Å; N616-Q620 WeakPolarHBondContact O-CB 3.42Å; N616-Q620 VanDerWaalsContact O-CG 3.28Å; N616-Q620 WeakPolarHBondContact O-CG 3.39Å; N616-Q620 PolarHBondContact O-N 2.91Å
617	R	75.9	Confident	69.4	Low	131 Å²	131	82.1 Å²	82.1	49%	0.494	42%	0.417	S	S	.	.	H	α-helix	trans	-62.7	-48.9	178	-170.5	179.6	79.2	160.9	6	111.9	C615 N619 Q620 D621	C615-R617 PolarHBondContact O-N 3.35Å; R617-N619 VanDerWaalsContact C-N 3.32Å; R617-N619 PolarHBondContact O-N 3.19Å; R617-Q620 PolarHBondContact O-N 2.97Å; R617-D621 WeakPolarHBondContact O-CB 3.12Å; R617-D621 PolarHBondContact O-N 3.31Å
618	I	72.9	Confident	70.9	Confident	46 Å²	46	77.1 Å²	77.1	24%	0.236	40%	0.396	C	S	.	.	H	α-helix	trans	-64	-41	179.9	-69.1	164.5	0	0	0	110.2	K614 C615 D621 N622	K614-I618 HydrophobicContact CB-CB 4.38Å; K614-I618 HydrophobicContact CB-CG2 4.25Å; K614-I618 HydrophobicContact CD-CG2 3.83Å; K614-I618 HydrophobicContact CG-CG2 4.33Å; C615-I618 PolarHBondContact O-N 3.43Å; C615-I618 VanDerWaalsContact SG-CG1 3.57Å; I618-D621 PolarHBondContact O-N 2.87Å; I618-N622 WeakPolarHBondContact O-CB 3.46Å; I618-N622 PolarHBondContact O-N 3.19Å; I618-N622 PolarHBondContact O-ND2 3.02Å
619	N	75.2	Confident	72	Confident	9 Å²	9	77.8 Å²	77.8	5%	0.048	40%	0.398	C	S	.	.	H	α-helix	trans	-65.6	-40.9	178.1	-71	-23.4	0	0	0	112.6	W610 D611 K614 C615 N616 R617 N622 Q623	W610-N619 HydrophobicContact CD2-CB 3.58Å; W610-N619 HydrophobicContact CE3-CB 3.48Å; W610-N619 VanDerWaalsContact CE3-CB 3.48Å; W610-N619 HydrophobicContact CG-CB 4.39Å; W610-N619 HydrophobicContact CH2-CB 3.59Å; W610-N619 HydrophobicContact CZ2-CB 3.68Å; W610-N619 HydrophobicContact CZ3-CB 3.47Å; W610-N619 VanDerWaalsContact CZ3-CB 3.47Å; W610-N619 PolarHBondContact NE1-ND2 2.93Å; W610-N619 VanDerWaalsContact NE1-ND2 3.12Å; D611-N619 PolarHBondContact O-ND2 3.16Å; K614-N619 WeakPolarHBondContact CB-OD1 3.5Å; C615-N619 PolarHBondContact O-N 2.94Å; N616-N619 PolarHBondContact O-N 3.29Å; R617-N619 VanDerWaalsContact C-N 3.32Å; R617-N619 PolarHBondContact O-N 3.19Å; N619-N622 PolarHBondContact O-N 3.29Å; N619-Q623 WeakPolarHBondContact O-CB 3.25Å; N619-Q623 PolarHBondContact O-N 3.26Å
620	Q	76.8	Confident	72.4	Confident	88 Å²	88	74 Å²	74	41%	0.411	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-39.4	173	-73.4	176.8	-2.7	0	0	112.3	W610 N616 R617 Q623 R624	W610-Q620 HydrophobicContact CH2-CG 3.9Å; W610-Q620 HydrophobicContact CZ3-CG 4.21Å; N616-Q620 WeakPolarHBondContact O-CB 3.42Å; N616-Q620 VanDerWaalsContact O-CG 3.28Å; N616-Q620 WeakPolarHBondContact O-CG 3.39Å; N616-Q620 PolarHBondContact O-N 2.91Å; R617-Q620 PolarHBondContact O-N 2.97Å; Q620-Q623 PolarHBondContact O-N 3.28Å; Q620-R624 WeakPolarHBondContact O-CB 3.41Å; Q620-R624 WeakPolarHBondContact O-CG 3.39Å; Q620-R624 PolarHBondContact O-N 3.25Å
621	D	74.8	Confident	73.1	Confident	7 Å²	7	74 Å²	74	4%	0.037	38%	0.377	C	S	.	.	H	α-helix	trans	-66.3	-42.1	177.2	-76.9	-14.5	0	0	0	111.6	R617 I618 Q623 R624 Q625 Y662	R617-D621 WeakPolarHBondContact O-CB 3.12Å; R617-D621 PolarHBondContact O-N 3.31Å; I618-D621 PolarHBondContact O-N 2.87Å; D621-Q623 VanDerWaalsContact C-N 3.34Å; D621-Q623 PolarHBondContact O-N 2.83Å; D621-R624 PolarHBondContact O-N 2.96Å; D621-R624 IonicContact OD1-CZ 2.86Å; D621-R624 IonicContact OD1-NE 2.8Å; D621-R624 PolarHBondContact OD1-NE 3.16Å; D621-R624 IonicContact OD1-NH2 2.69Å; D621-R624 PolarHBondContact OD1-NH2 2.98Å; D621-Q625 VanDerWaalsContact O-CB 3.26Å; D621-Q625 WeakPolarHBondContact O-CB 3.29Å; D621-Q625 PolarHBondContact O-N 3.16Å; D621-Y662 HydrophobicContact CB-CD2 4.38Å
622	N	73.6	Confident	73.5	Confident	62 Å²	62	75.7 Å²	75.7	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-45	173.7	-69.5	-17.5	0	0	0	110.9	I618 N619 Q625 E626	I618-N622 WeakPolarHBondContact O-CB 3.46Å; I618-N622 PolarHBondContact O-N 3.19Å; I618-N622 PolarHBondContact O-ND2 3.02Å; N619-N622 PolarHBondContact O-N 3.29Å; N622-Q625 PolarHBondContact O-N 3.36Å; N622-E626 VanDerWaalsContact O-CB 3.26Å; N622-E626 WeakPolarHBondContact O-CB 3.48Å; N622-E626 PolarHBondContact O-N 2.92Å
623	Q	72.7	Confident	73.3	Confident	110 Å²	110	76.1 Å²	76.1	51%	0.514	37%	0.374	S	S	.	.	H	α-helix	trans	-60.1	-48.8	175.6	-176.1	-179.8	4.3	0	0	111.8	N619 Q620 D621 Q625 E626 D627	N619-Q623 WeakPolarHBondContact O-CB 3.25Å; N619-Q623 PolarHBondContact O-N 3.26Å; Q620-Q623 PolarHBondContact O-N 3.28Å; D621-Q623 VanDerWaalsContact C-N 3.34Å; D621-Q623 PolarHBondContact O-N 2.83Å; Q623-Q625 PolarHBondContact O-N 2.96Å; Q623-E626 PolarHBondContact O-N 3.39Å; Q623-D627 PolarHBondContact O-N 3.44Å
624	R	77.2	Confident	72.8	Confident	101 Å²	101	74.9 Å²	74.9	38%	0.381	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-40.8	178.4	-77.2	-172.8	-82.6	-103.1	0.4	112.7	Q620 D621 E626 D627 L628 Y662	Q620-R624 WeakPolarHBondContact O-CB 3.41Å; Q620-R624 WeakPolarHBondContact O-CG 3.39Å; Q620-R624 PolarHBondContact O-N 3.25Å; D621-R624 PolarHBondContact O-N 2.96Å; D621-R624 IonicContact OD1-CZ 2.86Å; D621-R624 IonicContact OD1-NE 2.8Å; D621-R624 PolarHBondContact OD1-NE 3.16Å; D621-R624 IonicContact OD1-NH2 2.69Å; D621-R624 PolarHBondContact OD1-NH2 2.98Å; R624-E626 VanDerWaalsContact C-N 3.28Å; R624-D627 PolarHBondContact O-N 3.11Å; R624-L628 WeakPolarHBondContact O-CB 3.48Å; R624-L628 PolarHBondContact O-N 3.15Å; R624-Y662 HydrophobicContact CB-CD2 4.18Å; R624-Y662 HydrophobicContact CB-CE2 3.36Å; R624-Y662 HydrophobicContact CG-CE2 4.34Å
625	Q	71.8	Confident	72.7	Confident	32 Å²	32	73.9 Å²	73.9	15%	0.15	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-38.2	179.3	-175.4	167.2	-2.4	0	0	110.8	D621 N622 Q623 L628 R629 I661	D621-Q625 VanDerWaalsContact O-CB 3.26Å; D621-Q625 WeakPolarHBondContact O-CB 3.29Å; D621-Q625 PolarHBondContact O-N 3.16Å; N622-Q625 PolarHBondContact O-N 3.36Å; Q623-Q625 PolarHBondContact O-N 2.96Å; Q625-L628 WeakPolarHBondContact O-CB 3.25Å; Q625-L628 PolarHBondContact O-N 2.96Å; Q625-R629 WeakPolarHBondContact O-CG 3.22Å; Q625-R629 PolarHBondContact O-N 3.33Å; Q625-I661 HydrophobicContact CB-CG2 4.12Å; Q625-I661 HydrophobicContact CG-CG2 4Å
626	E	68.8	Low	72.4	Confident	47 Å²	47	76.6 Å²	76.6	22%	0.22	36%	0.358	C	S	.	.	H	α-helix	trans	-71.5	-41.1	176.3	176.1	54.8	-158.8	0	0	112.3	N622 Q623 R624 L628 R629 R630	N622-E626 VanDerWaalsContact O-CB 3.26Å; N622-E626 WeakPolarHBondContact O-CB 3.48Å; N622-E626 PolarHBondContact O-N 2.92Å; Q623-E626 PolarHBondContact O-N 3.39Å; R624-E626 VanDerWaalsContact C-N 3.28Å; E626-L628 VanDerWaalsContact C-N 3.25Å; E626-L628 PolarHBondContact O-N 3.39Å; E626-R629 PolarHBondContact O-N 3.46Å; E626-R629 IonicContact OE2-NH1 3.45Å; E626-R630 WeakPolarHBondContact O-CG 3.37Å; E626-R630 PolarHBondContact O-N 2.94Å; E626-R630 IonicContact OE1-CZ 3.17Å; E626-R630 VanDerWaalsContact OE1-CZ 3.3Å; E626-R630 IonicContact OE1-NE 3.94Å; E626-R630 PolarHBondContact OE1-NE 3.5Å; E626-R630 IonicContact OE1-NH2 3.72Å; E626-R630 PolarHBondContact OE1-NH2 2.93Å; E626-R630 VanDerWaalsContact OE1-NH2 3.11Å
627	D	71.4	Confident	72.1	Confident	65 Å²	65	74.5 Å²	74.5	35%	0.348	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-35.5	171.8	-71.8	-20.4	0	0	0	112	Q623 R624 R630 M631	Q623-D627 PolarHBondContact O-N 3.44Å; R624-D627 PolarHBondContact O-N 3.11Å; D627-R630 PolarHBondContact O-N 3.14Å; D627-R630 IonicContact OD1-CZ 3.61Å; D627-R630 IonicContact OD1-NH1 3.11Å; D627-R630 PolarHBondContact OD1-NH1 2.79Å; D627-M631 WeakPolarHBondContact O-CB 3.02Å; D627-M631 PolarHBondContact O-N 3.06Å
628	L	75.1	Confident	71.5	Confident	69 Å²	69	71.8 Å²	71.8	36%	0.361	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-47.4	172.7	-178.8	65.5	0	0	0	112.1	R624 Q625 E626 R630 M631 Q632	R624-L628 WeakPolarHBondContact O-CB 3.48Å; R624-L628 PolarHBondContact O-N 3.15Å; Q625-L628 WeakPolarHBondContact O-CB 3.25Å; Q625-L628 PolarHBondContact O-N 2.96Å; E626-L628 VanDerWaalsContact C-N 3.25Å; E626-L628 PolarHBondContact O-N 3.39Å; L628-R630 VanDerWaalsContact C-N 3.25Å; L628-R630 PolarHBondContact O-N 3.16Å; L628-M631 PolarHBondContact O-N 3.29Å; L628-Q632 WeakPolarHBondContact O-CG 3.46Å; L628-Q632 PolarHBondContact O-N 3.27Å
629	R	74	Confident	71.4	Confident	106 Å²	106	72 Å²	72	40%	0.4	34%	0.344	S	S	.	.	H	α-helix	trans	-58.2	-38.8	175.5	-70.9	-178.7	-172.1	121.1	-5.2	111.6	Q625 E626 Q632 K633	Q625-R629 WeakPolarHBondContact O-CG 3.22Å; Q625-R629 PolarHBondContact O-N 3.33Å; E626-R629 PolarHBondContact O-N 3.46Å; E626-R629 IonicContact OE2-NH1 3.45Å; R629-Q632 PolarHBondContact O-N 3.44Å; R629-K633 PolarHBondContact O-N 2.92Å
630	R	63.7	Low	71.1	Confident	40 Å²	40	74.9 Å²	74.9	15%	0.151	37%	0.369	C	S	.	.	H	α-helix	trans	-67.5	-43.8	176.6	-68.6	169.6	-169.6	153	-3.7	112.3	E626 D627 L628 Q632 K633 I634	E626-R630 WeakPolarHBondContact O-CG 3.37Å; E626-R630 PolarHBondContact O-N 2.94Å; E626-R630 IonicContact OE1-CZ 3.17Å; E626-R630 VanDerWaalsContact OE1-CZ 3.3Å; E626-R630 IonicContact OE1-NE 3.94Å; E626-R630 PolarHBondContact OE1-NE 3.5Å; E626-R630 IonicContact OE1-NH2 3.72Å; E626-R630 PolarHBondContact OE1-NH2 2.93Å; E626-R630 VanDerWaalsContact OE1-NH2 3.11Å; D627-R630 PolarHBondContact O-N 3.14Å; D627-R630 IonicContact OD1-CZ 3.61Å; D627-R630 IonicContact OD1-NH1 3.11Å; D627-R630 PolarHBondContact OD1-NH1 2.79Å; L628-R630 VanDerWaalsContact C-N 3.25Å; L628-R630 PolarHBondContact O-N 3.16Å; R630-Q632 VanDerWaalsContact C-N 3.27Å; R630-Q632 PolarHBondContact O-N 3.45Å; R630-K633 PolarHBondContact O-N 3.05Å; R630-I634 WeakPolarHBondContact O-CG1 3.39Å; R630-I634 PolarHBondContact O-N 2.82Å
631	M	72.7	Confident	70.4	Confident	111 Å²	111	77.2 Å²	77.2	55%	0.547	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-38.5	176.3	-168.4	63	64.8	0	0	111.3	D627 L628 I634 T635	D627-M631 WeakPolarHBondContact O-CB 3.02Å; D627-M631 PolarHBondContact O-N 3.06Å; L628-M631 PolarHBondContact O-N 3.29Å; M631-I634 PolarHBondContact O-N 2.91Å; M631-T635 WeakPolarHBondContact O-CB 3.33Å; M631-T635 PolarHBondContact O-N 3.11Å; M631-T635 PolarHBondContact O-OG1 3.13Å
632	Q	72.8	Confident	69.9	Low	93 Å²	93	87 Å²	87	44%	0.435	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-48.5	173	-73.5	172.5	-24.6	0	0	111.2	L628 R629 R630 I634 T635 E636	L628-Q632 WeakPolarHBondContact O-CG 3.46Å; L628-Q632 PolarHBondContact O-N 3.27Å; R629-Q632 PolarHBondContact O-N 3.44Å; R630-Q632 VanDerWaalsContact C-N 3.27Å; R630-Q632 PolarHBondContact O-N 3.45Å; Q632-I634 VanDerWaalsContact C-N 3.35Å; Q632-I634 PolarHBondContact O-N 2.88Å; Q632-T635 CarbonylContact O-C 3.56Å; Q632-T635 WeakPolarHBondContact O-CA 3.35Å; Q632-T635 WeakPolarHBondContact O-CB 3.41Å; Q632-T635 PolarHBondContact O-N 3.38Å; Q632-T635 VanDerWaalsContact O-N 3.07Å; Q632-E636 WeakPolarHBondContact O-CG 3.47Å; Q632-E636 PolarHBondContact O-N 3Å
633	K	70	Confident	69.1	Low	145 Å²	145	89.8 Å²	89.8	63%	0.63	43%	0.427	S	S	*	.	H	α-helix	trans	-59	-40.9	175.1	-73.5	-178.7	178.1	-179.5	0	113.4	R629 R630 T635 E636 F637	R629-K633 PolarHBondContact O-N 2.92Å; R630-K633 PolarHBondContact O-N 3.05Å; K633-T635 VanDerWaalsContact C-N 3.33Å; K633-E636 PolarHBondContact O-N 3.39Å; K633-F637 WeakPolarHBondContact O-CB 3.35Å; K633-F637 PolarHBondContact O-N 2.81Å
634	I	67	Low	68.1	Low	44 Å²	44	90.9 Å²	90.9	23%	0.226	44%	0.441	C	S	.	.	H	α-helix	trans	-62	-45.3	174.1	-68.3	164.5	0	0	0	110.2	L535 R630 M631 Q632 F637 L638	L535-I634 HydrophobicContact CD1-CD1 3.84Å; L535-I634 HydrophobicContact CD1-CG1 4.43Å; L535-I634 HydrophobicContact CD2-CD1 3.89Å; L535-I634 HydrophobicContact CD2-CG1 3.52Å; L535-I634 HydrophobicContact CG-CD1 3.98Å; L535-I634 HydrophobicContact CG-CG1 4.13Å; R630-I634 WeakPolarHBondContact O-CG1 3.39Å; R630-I634 PolarHBondContact O-N 2.82Å; M631-I634 PolarHBondContact O-N 2.91Å; Q632-I634 VanDerWaalsContact C-N 3.35Å; Q632-I634 PolarHBondContact O-N 2.88Å; I634-F637 PolarHBondContact O-N 2.7Å; I634-L638 HydrophobicContact CG2-CD1 3.67Å; I634-L638 HydrophobicContact CG2-CG 4.15Å; I634-L638 WeakPolarHBondContact O-CB 3.42Å; I634-L638 VanDerWaalsContact O-CG 3.25Å; I634-L638 WeakPolarHBondContact O-CG 3.23Å; I634-L638 PolarHBondContact O-N 2.91Å
635	T	72.3	Confident	66.4	Low	74 Å²	74	92.1 Å²	92.1	45%	0.454	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-46.1	-179.9	-55.2	0	0	0	0	110.3	M631 Q632 K633 L638 C639	M631-T635 WeakPolarHBondContact O-CB 3.33Å; M631-T635 PolarHBondContact O-N 3.11Å; M631-T635 PolarHBondContact O-OG1 3.13Å; Q632-T635 CarbonylContact O-C 3.56Å; Q632-T635 WeakPolarHBondContact O-CA 3.35Å; Q632-T635 WeakPolarHBondContact O-CB 3.41Å; Q632-T635 PolarHBondContact O-N 3.38Å; Q632-T635 VanDerWaalsContact O-N 3.07Å; K633-T635 VanDerWaalsContact C-N 3.33Å; T635-L638 PolarHBondContact O-N 3.42Å; T635-C639 WeakPolarHBondContact O-CB 3.38Å; T635-C639 PolarHBondContact O-N 2.9Å; T635-C639 PolarHBondContact O-SG 3.37Å
636	E	69.9	Low	64.8	Low	122 Å²	122	96.3 Å²	96.3	57%	0.57	49%	0.488	S	S	*	.	H	α-helix	trans	-59.3	-46.5	174.6	-74.1	167.9	-166.1	0	0	111.8	Q632 K633 C639 A640	Q632-E636 WeakPolarHBondContact O-CG 3.47Å; Q632-E636 PolarHBondContact O-N 3Å; K633-E636 PolarHBondContact O-N 3.39Å; E636-C639 PolarHBondContact O-N 2.87Å; E636-A640 VanDerWaalsContact O-CB 3.28Å; E636-A640 WeakPolarHBondContact O-CB 3.46Å; E636-A640 PolarHBondContact O-N 3.17Å
637	F	65.3	Low	63.3	Low	63 Å²	63	100.5 Å²	100.5	28%	0.276	52%	0.517	S	S	.	.	H	α-helix	trans	-61	-46.8	176.6	176	-89.4	0	0	0	112.2	L538 K633 I634 C639 A640 Q641	L538-F637 HydrophobicContact CB-CE1 4.36Å; L538-F637 HydrophobicContact CB-CZ 4.27Å; L538-F637 HydrophobicContact CD2-CE1 3.7Å; L538-F637 HydrophobicContact CD2-CZ 3.94Å; L538-F637 HydrophobicContact CG-CE1 4.44Å; L538-F637 WeakPolarHBondContact O-CE2 3.27Å; K633-F637 WeakPolarHBondContact O-CB 3.35Å; K633-F637 PolarHBondContact O-N 2.81Å; I634-F637 PolarHBondContact O-N 2.7Å; F637-C639 VanDerWaalsContact C-N 3.34Å; F637-A640 PolarHBondContact O-N 3.28Å; F637-Q641 HydrophobicContact CE1-CG 4.13Å; F637-Q641 HydrophobicContact CZ-CG 4.27Å; F637-Q641 PolarHBondContact O-N 3.41Å
638	L	63	Low	61.9	Low	74 Å²	74	102.3 Å²	102.3	39%	0.387	53%	0.534	S	S	.	.	H	α-helix	trans	-67.3	-35.1	177.9	-68.8	175	0	0	0	111.8	I634 T635 R642	I634-L638 HydrophobicContact CG2-CD1 3.67Å; I634-L638 HydrophobicContact CG2-CG 4.15Å; I634-L638 WeakPolarHBondContact O-CB 3.42Å; I634-L638 VanDerWaalsContact O-CG 3.25Å; I634-L638 WeakPolarHBondContact O-CG 3.23Å; I634-L638 PolarHBondContact O-N 2.91Å; T635-L638 PolarHBondContact O-N 3.42Å; L638-R642 VanDerWaalsContact O-CG 3.28Å; L638-R642 WeakPolarHBondContact O-CG 3.28Å; L638-R642 PolarHBondContact O-N 3.04Å
639	C	71.8	Confident	60	Low	50 Å²	50	104 Å²	104	34%	0.338	55%	0.552	S	S	.	*	H	α-helix	trans	-66.7	-44	172.7	-81	0	0	0	0	111.3	T635 E636 F637 Q641 R642 Q643	T635-C639 WeakPolarHBondContact O-CB 3.38Å; T635-C639 PolarHBondContact O-N 2.9Å; T635-C639 PolarHBondContact O-SG 3.37Å; E636-C639 PolarHBondContact O-N 2.87Å; F637-C639 VanDerWaalsContact C-N 3.34Å; C639-Q641 VanDerWaalsContact C-N 3.32Å; C639-Q641 PolarHBondContact O-N 2.88Å; C639-R642 CarbonylContact O-C 3.53Å; C639-R642 WeakPolarHBondContact O-CA 3.37Å; C639-R642 PolarHBondContact O-N 2.7Å; C639-Q643 PolarHBondContact O-N 3.37Å
640	A	68	Low	58.2	Low	70 Å²	70	108 Å²	108	58%	0.579	58%	0.575	S	S	*	*	H	α-helix	trans	-63.2	-36.3	176.9	0	0	0	0	0	112.1	E636 F637 R642	E636-A640 VanDerWaalsContact O-CB 3.28Å; E636-A640 WeakPolarHBondContact O-CB 3.46Å; E636-A640 PolarHBondContact O-N 3.17Å; F637-A640 PolarHBondContact O-N 3.28Å; A640-R642 PolarHBondContact O-N 3.39Å
641	Q	62.1	Low	57.1	Low	136 Å²	136	113.4 Å²	113.4	64%	0.636	61%	0.605	S	S	*	*	H	α-helix	trans	-65.8	-25.3	170.8	-81.9	-164.8	-20.7	0	0	113.4	F637 C639	F637-Q641 HydrophobicContact CE1-CG 4.13Å; F637-Q641 HydrophobicContact CZ-CG 4.27Å; F637-Q641 PolarHBondContact O-N 3.41Å; C639-Q641 VanDerWaalsContact C-N 3.32Å; C639-Q641 PolarHBondContact O-N 2.88Å
642	R	64.8	Low	55.3	Low	212 Å²	212	114.2 Å²	114.2	80%	0.8	62%	0.617	S	S	*	*	H	α-helix	trans	-95	-23.2	-177.7	-71.3	176.7	-177.7	-162.2	1.6	113.9	L638 C639 A640	L638-R642 VanDerWaalsContact O-CG 3.28Å; L638-R642 WeakPolarHBondContact O-CG 3.28Å; L638-R642 PolarHBondContact O-N 3.04Å; C639-R642 CarbonylContact O-C 3.53Å; C639-R642 WeakPolarHBondContact O-CA 3.37Å; C639-R642 PolarHBondContact O-N 2.7Å; A640-R642 PolarHBondContact O-N 3.39Å
643	Q	56.2	Low	54	Low	122 Å²	122	117.8 Å²	117.8	57%	0.57	64%	0.637	S	S	*	*			trans	-116.3	104.5	-175.8	-65.6	-177.3	9.8	0	0	110.9	C639 T645	C639-Q643 PolarHBondContact O-N 3.37Å; Q643-T645 PolarHBondContact O-N 3.13Å
644	T	51.9	Low	52.8	Low	132 Å²	132	114.6 Å²	114.6	81%	0.81	63%	0.633	S	S	*	*	S	Bend	trans	-69.3	114.9	164.9	50.6	0	0	0	0	108.3
645	T	41.3	Very low	51.9	Low	128 Å²	128	122 Å²	122	79%	0.785	66%	0.664	S	S	*	*	S	Bend	trans	61.7	98	173.5	62.8	0	0	0	0	116.4	Q643	Q643-T645 PolarHBondContact O-N 3.13Å
646	T	38.5	Very low	50.9	Low	119 Å²	119	126.5 Å²	126.5	73%	0.73	68%	0.679	S	S	*	*				175.5	137.7	129.6	-68.9	0	0	0	0	110	C648	T646-C648 PolarHBondContact O-N 3.23Å
647	T	37.9	Very low	50.1	Low	135 Å²	135	122.7 Å²	122.7	83%	0.828	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-53.9	121.8	-177.6	46.4	0	0	0	0	113.7
648	C	40.8	Very low	49.8	Very low	103 Å²	103	129.5 Å²	129.5	70%	0.696	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-75.2	126	166.5	-75.9	0	0	0	0	109.7	T646	T646-C648 PolarHBondContact O-N 3.23Å
649	S	37.1	Very low	49.6	Very low	106 Å²	106	126.6 Å²	126.6	74%	0.741	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-61.6	127.3	176.8	48.2	0	0	0	0	111.9	I651	S649-I651 PolarHBondContact O-N 2.92Å
650	E	35.6	Very low	49.3	Very low	189 Å²	189	124.6 Å²	124.6	88%	0.883	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-57.5	118.2	172.7	-70	179.6	158.3	0	0	111	T652	E650-T652 PolarHBondContact O-N 2.98Å
651	I	40.8	Very low	49.3	Very low	153 Å²	153	123.2 Å²	123.2	79%	0.785	66%	0.657	S	S	*	*			trans	-79.1	110.2	168.3	-61.2	173	0	0	0	107.5	S649 I653	S649-I651 PolarHBondContact O-N 2.92Å; I651-I653 PolarHBondContact O-N 2.74Å
652	T	34.6	Very low	49.8	Very low	129 Å²	129	120.6 Å²	120.6	79%	0.791	64%	0.642	S	S	*	*			trans	-51.3	117.1	176.2	-15.6	0	0	0	0	111.8	E650 S654	E650-T652 PolarHBondContact O-N 2.98Å; T652-S654 PolarHBondContact O-N 2.88Å
653	I	45	Very low	50.2	Low	167 Å²	167	111.3 Å²	111.3	86%	0.856	61%	0.609	S	S	*	*			trans	-64	106.2	176.2	-58	171.5	0	0	0	108.2	I651	I651-I653 PolarHBondContact O-N 2.74Å
654	S	44.7	Very low	51.1	Low	79 Å²	79	109.9 Å²	109.9	55%	0.552	60%	0.598	S	S	*	*			trans	-65.6	137.9	174.7	-64.5	0	0	0	0	110.6	T652 E656	T652-S654 PolarHBondContact O-N 2.88Å; S654-E656 PolarHBondContact O-N 3.42Å
655	K	49.5	Very low	52.2	Low	199 Å²	199	107.5 Å²	107.5	87%	0.865	58%	0.58	S	S	*	*			trans	-37	127.3	-179.7	-75.1	179	175.5	177.5	0	113.2	C657	K655-C657 PolarHBondContact O-N 2.94Å
656	E	50.9	Low	54	Low	169 Å²	169	103.9 Å²	103.9	79%	0.79	56%	0.556	S	S	*	*			trans	-59.9	121	-177.8	-161	164.7	-153.8	0	0	110.9	S654	S654-E656 PolarHBondContact O-N 3.42Å
657	C	52.4	Low	55.9	Low	42 Å²	42	103 Å²	103	28%	0.284	55%	0.546	S	S	.	.			trans	-80.5	135.3	170.1	-176.1	0	0	0	0	107.8	K655 G659 G660 R664	K655-C657 PolarHBondContact O-N 2.94Å; C657-G659 PolarHBondContact O-N 3.4Å; C657-G660 PolarHBondContact O-N 3.32Å; C657-R664 HydrophobicContact CB-CB 3.99Å
658	Q	58.4	Low	58	Low	205 Å²	205	100.9 Å²	100.9	96%	0.958	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-15.4	179.5	-158.7	99.7	20.7	0	0	114
659	G	59.6	Low	59.7	Low	13 Å²	13	103.3 Å²	103.3	13%	0.134	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	10.4	175.8	0	0	0	0	0	116.5	C657 T663	C657-G659 PolarHBondContact O-N 3.4Å; G659-T663 WeakPolarHBondContact O-CB 3.28Å; G659-T663 PolarHBondContact O-OG1 2.84Å
660	G	65.6	Low	61.7	Low	8 Å²	8	104.2 Å²	104.2	8%	0.082	51%	0.508	C	S	.	.	H	α-helix	trans	81.4	175.6	-178.9	0	0	0	0	0	114.9	C657 Y662 T663 R664	C657-G660 PolarHBondContact O-N 3.32Å; G660-Y662 VanDerWaalsContact C-N 3.34Å; G660-Y662 PolarHBondContact O-N 3.04Å; G660-T663 PolarHBondContact O-N 2.85Å; G660-R664 PolarHBondContact O-N 3.4Å; G660-R664 VanDerWaalsContact O-N 3.14Å
661	I	68.6	Low	63.8	Low	42 Å²	42	99.5 Å²	99.5	22%	0.215	50%	0.496	C	S	.	.	H	α-helix	trans	-62.1	-36.9	-172.9	-167.4	167.7	0	0	0	113.3	Q625 R664 L665	Q625-I661 HydrophobicContact CB-CG2 4.12Å; Q625-I661 HydrophobicContact CG-CG2 4Å; I661-R664 WeakPolarHBondContact O-CB 3.18Å; I661-R664 PolarHBondContact O-N 3.44Å; I661-L665 HydrophobicContact CG1-CD1 4.48Å; I661-L665 WeakPolarHBondContact O-CG 3Å; I661-L665 PolarHBondContact O-N 3.5Å
662	Y	70.7	Confident	65.6	Low	81 Å²	81	99 Å²	99	32%	0.318	49%	0.491	S	S	.	.	H	α-helix	trans	-75.7	-36.1	-178.6	-63.7	-79	0	0	0	112.4	D621 R624 G660 R664 L665 D666	D621-Y662 HydrophobicContact CB-CD2 4.38Å; R624-Y662 HydrophobicContact CB-CD2 4.18Å; R624-Y662 HydrophobicContact CB-CE2 3.36Å; R624-Y662 HydrophobicContact CG-CE2 4.34Å; G660-Y662 VanDerWaalsContact C-N 3.34Å; G660-Y662 PolarHBondContact O-N 3.04Å; Y662-R664 VanDerWaalsContact C-N 3.28Å; Y662-R664 PolarHBondContact O-N 3.24Å; Y662-L665 HydrophobicContact CD1-CD1 4.26Å; Y662-L665 PolarHBondContact O-N 3.16Å; Y662-D666 WeakPolarHBondContact O-CB 3.43Å; Y662-D666 PolarHBondContact O-N 3.25Å
663	T	74	Confident	67.5	Low	17 Å²	17	94.9 Å²	94.9	10%	0.104	47%	0.467	C	S	.	.	H	α-helix	trans	-62.6	-38.1	170	-62.9	0	0	0	0	111	G659 G660 D666 L667	G659-T663 WeakPolarHBondContact O-CB 3.28Å; G659-T663 PolarHBondContact O-OG1 2.84Å; G660-T663 PolarHBondContact O-N 2.85Å; T663-D666 PolarHBondContact O-N 2.71Å; T663-L667 HydrophobicContact CG2-CD1 4.12Å; T663-L667 HydrophobicContact CG2-CG 4.43Å; T663-L667 WeakPolarHBondContact O-CB 3.27Å; T663-L667 VanDerWaalsContact O-CG 3.29Å; T663-L667 WeakPolarHBondContact O-CG 3.48Å; T663-L667 PolarHBondContact O-N 2.89Å
664	R	75.6	Confident	68.5	Low	92 Å²	92	92 Å²	92	35%	0.347	46%	0.461	S	S	.	.	H	α-helix	trans	-62.3	-45.2	172.8	-174.4	-176.2	67.3	142.6	0.1	111.6	C657 G660 I661 Y662 L667 Q668	C657-R664 HydrophobicContact CB-CB 3.99Å; G660-R664 PolarHBondContact O-N 3.4Å; G660-R664 VanDerWaalsContact O-N 3.14Å; I661-R664 WeakPolarHBondContact O-CB 3.18Å; I661-R664 PolarHBondContact O-N 3.44Å; Y662-R664 VanDerWaalsContact C-N 3.28Å; Y662-R664 PolarHBondContact O-N 3.24Å; R664-L667 PolarHBondContact O-N 3.4Å; R664-Q668 VanDerWaalsContact O-CB 3.32Å; R664-Q668 WeakPolarHBondContact O-CB 3.3Å; R664-Q668 PolarHBondContact O-N 3.02Å
665	L	75.3	Confident	69.1	Low	82 Å²	82	93.9 Å²	93.9	43%	0.429	47%	0.465	S	S	.	.	H	α-helix	trans	-63.4	-40.9	176.8	-71.4	170	0	0	0	111.9	I661 Y662 Q668 W669	I661-L665 HydrophobicContact CG1-CD1 4.48Å; I661-L665 WeakPolarHBondContact O-CG 3Å; I661-L665 PolarHBondContact O-N 3.5Å; Y662-L665 HydrophobicContact CD1-CD1 4.26Å; Y662-L665 PolarHBondContact O-N 3.16Å; L665-Q668 PolarHBondContact O-N 3.01Å; L665-W669 VanDerWaalsContact O-CB 3.3Å; L665-W669 WeakPolarHBondContact O-CB 2.89Å; L665-W669 PolarHBondContact O-N 2.85Å
666	D	78.9	Confident	69	Low	52 Å²	52	90.7 Å²	90.7	28%	0.278	46%	0.462	S	S	.	.	H	α-helix	trans	-66.4	-41.9	176.8	-166.5	47.3	0	0	0	111.4	Y662 T663 W669 R670	Y662-D666 WeakPolarHBondContact O-CB 3.43Å; Y662-D666 PolarHBondContact O-N 3.25Å; T663-D666 PolarHBondContact O-N 2.71Å; D666-W669 PolarHBondContact O-N 2.9Å; D666-R670 WeakPolarHBondContact O-CB 3.36Å; D666-R670 VanDerWaalsContact O-CG 3.23Å; D666-R670 WeakPolarHBondContact O-CG 3.38Å; D666-R670 PolarHBondContact O-N 3.36Å; D666-R670 IonicContact OD1-NE 3.76Å; D666-R670 IonicContact OD2-CZ 3.61Å; D666-R670 IonicContact OD2-NE 2.94Å; D666-R670 PolarHBondContact OD2-NE 3.42Å; D666-R670 IonicContact OD2-NH2 3.36Å; D666-R670 PolarHBondContact OD2-NH2 2.84Å
667	L	78.9	Confident	69.1	Low	100 Å²	100	88.3 Å²	88.3	52%	0.524	46%	0.461	S	S	.	.	H	α-helix	trans	-63.6	-41.6	174	-75.4	170.7	0	0	0	112.1	T663 R664 W669 R670 S671	T663-L667 HydrophobicContact CG2-CD1 4.12Å; T663-L667 HydrophobicContact CG2-CG 4.43Å; T663-L667 WeakPolarHBondContact O-CB 3.27Å; T663-L667 VanDerWaalsContact O-CG 3.29Å; T663-L667 WeakPolarHBondContact O-CG 3.48Å; T663-L667 PolarHBondContact O-N 2.89Å; R664-L667 PolarHBondContact O-N 3.4Å; L667-W669 VanDerWaalsContact C-N 3.34Å; L667-R670 PolarHBondContact O-N 3.46Å; L667-S671 WeakPolarHBondContact O-CB 3.29Å; L667-S671 PolarHBondContact O-N 2.92Å; L667-S671 PolarHBondContact O-OG 3.13Å
668	Q	80.4	Confident	68.6	Low	91 Å²	91	92.1 Å²	92.1	43%	0.425	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-40.1	175.4	-176.2	179.1	-15.3	0	0	111.2	R664 L665 S671 Q672	R664-Q668 VanDerWaalsContact O-CB 3.32Å; R664-Q668 WeakPolarHBondContact O-CB 3.3Å; R664-Q668 PolarHBondContact O-N 3.02Å; L665-Q668 PolarHBondContact O-N 3.01Å; Q668-S671 PolarHBondContact O-OG 3.19Å; Q668-Q672 WeakPolarHBondContact O-CB 3.48Å; Q668-Q672 VanDerWaalsContact O-CG 3.27Å; Q668-Q672 WeakPolarHBondContact O-CG 3.44Å; Q668-Q672 PolarHBondContact O-N 2.68Å; Q668-Q672 VanDerWaalsContact O-N 3.1Å
669	W	76.7	Confident	67.7	Low	153 Å²	153	92.2 Å²	92.2	58%	0.58	49%	0.486	S	S	*	.	H	α-helix	trans	-64.9	-43.9	175.4	-177.7	77.4	0	0	0	111.5	L665 D666 L667 Q672 S673	L665-W669 VanDerWaalsContact O-CB 3.3Å; L665-W669 WeakPolarHBondContact O-CB 2.89Å; L665-W669 PolarHBondContact O-N 2.85Å; D666-W669 PolarHBondContact O-N 2.9Å; L667-W669 VanDerWaalsContact C-N 3.34Å; W669-Q672 PolarHBondContact O-N 2.81Å; W669-S673 WeakPolarHBondContact O-CB 3.44Å; W669-S673 PolarHBondContact O-N 2.75Å; W669-S673 PolarHBondContact O-OG 2.87Å
670	R	79	Confident	66.7	Low	125 Å²	125	97.3 Å²	97.3	47%	0.472	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-38.6	177.2	-73.4	172.7	-173.4	-91.8	-3.4	113.4	D666 L667 S673 S674	D666-R670 WeakPolarHBondContact O-CB 3.36Å; D666-R670 VanDerWaalsContact O-CG 3.23Å; D666-R670 WeakPolarHBondContact O-CG 3.38Å; D666-R670 PolarHBondContact O-N 3.36Å; D666-R670 IonicContact OD1-NE 3.76Å; D666-R670 IonicContact OD2-CZ 3.61Å; D666-R670 IonicContact OD2-NE 2.94Å; D666-R670 PolarHBondContact OD2-NE 3.42Å; D666-R670 IonicContact OD2-NH2 3.36Å; D666-R670 PolarHBondContact OD2-NH2 2.84Å; L667-R670 PolarHBondContact O-N 3.46Å; R670-S673 WeakPolarHBondContact CA-OG 3.45Å; R670-S673 PolarHBondContact O-N 3.23Å; R670-S673 PolarHBondContact O-OG 2.86Å; R670-S674 PolarHBondContact O-N 3.16Å
671	S	79.9	Confident	65.2	Low	90 Å²	90	102.2 Å²	102.2	63%	0.629	55%	0.552	S	S	*	*	H	α-helix	trans	-69.4	-36.7	176.9	66.1	0	0	0	0	111.8	L667 Q668 S673	L667-S671 WeakPolarHBondContact O-CB 3.29Å; L667-S671 PolarHBondContact O-N 2.92Å; L667-S671 PolarHBondContact O-OG 3.13Å; Q668-S671 PolarHBondContact O-OG 3.19Å; S671-S673 VanDerWaalsContact C-N 3.3Å; S671-S673 PolarHBondContact O-N 3.16Å
672	Q	79.7	Confident	63.7	Low	144 Å²	144	107.4 Å²	107.4	67%	0.673	59%	0.586	S	S	*	*	H	α-helix	trans	-68.9	-26.9	173.7	-73.3	179.6	-1.5	0	0	113.3	Q668 W669	Q668-Q672 WeakPolarHBondContact O-CB 3.48Å; Q668-Q672 VanDerWaalsContact O-CG 3.27Å; Q668-Q672 WeakPolarHBondContact O-CG 3.44Å; Q668-Q672 PolarHBondContact O-N 2.68Å; Q668-Q672 VanDerWaalsContact O-N 3.1Å; W669-Q672 PolarHBondContact O-N 2.81Å
673	S	74.2	Confident	61.8	Low	41 Å²	41	110.7 Å²	110.7	29%	0.287	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.4	8.7	-178.8	44.6	0	0	0	0	114.6	W669 R670 S671 L675	W669-S673 WeakPolarHBondContact O-CB 3.44Å; W669-S673 PolarHBondContact O-N 2.75Å; W669-S673 PolarHBondContact O-OG 2.87Å; R670-S673 WeakPolarHBondContact CA-OG 3.45Å; R670-S673 PolarHBondContact O-N 3.23Å; R670-S673 PolarHBondContact O-OG 2.86Å; S671-S673 VanDerWaalsContact C-N 3.3Å; S671-S673 PolarHBondContact O-N 3.16Å; S673-L675 VanDerWaalsContact C-N 3.29Å; S673-L675 PolarHBondContact O-N 2.69Å
674	S	65.1	Low	59.9	Low	106 Å²	106	118.2 Å²	118.2	74%	0.741	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.8	35.8	172.2	57.8	0	0	0	0	115.8	R670 T676	R670-S674 PolarHBondContact O-N 3.16Å; S674-T676 PolarHBondContact O-N 2.79Å
675	L	56.9	Low	57.7	Low	120 Å²	120	120.8 Å²	120.8	63%	0.628	66%	0.663	S	S	*	*			trans	-91.7	86	174.5	-72.1	157	0	0	0	109.8	S673	S673-L675 VanDerWaalsContact C-N 3.29Å; S673-L675 PolarHBondContact O-N 2.69Å
676	T	47.6	Very low	55.7	Low	132 Å²	132	124.5 Å²	124.5	81%	0.81	68%	0.682	S	S	*	*			trans	-77.8	126.9	175.6	52.8	0	0	0	0	111.4	S674 S678	S674-T676 PolarHBondContact O-N 2.79Å; T676-S678 PolarHBondContact O-N 3.47Å
677	P	52.7	Low	53.5	Low	119 Å²	119	133 Å²	133	77%	0.773	71%	0.71	S	S	*	*			trans	-76	122.9	179.6	27.8	-31.5	0	0	0	111.8	K679	P677-K679 PolarHBondContact O-N 3.03Å
678	S	43.6	Very low	51.1	Low	121 Å²	121	138.9 Å²	138.9	85%	0.846	73%	0.731	S	S	*	*			trans	-65.9	112.7	171.2	54.9	0	0	0	0	110.4	T676	T676-S678 PolarHBondContact O-N 3.47Å
679	K	38.5	Very low	48.8	Very low	208 Å²	208	139.4 Å²	139.4	90%	0.904	75%	0.745	S	S	*	*			trans	-72.9	118.3	172.6	-69.3	174.8	176.3	176.3	0	109.7	P677	P677-K679 PolarHBondContact O-N 3.03Å
680	S	39.3	Very low	46.5	Very low	119 Å²	119	142.6 Å²	142.6	83%	0.832	76%	0.763	S	S	*	*			trans	-118.2	109.7	160.1	59	0	0	0	0	109.4
681	S	33.5	Very low	44.3	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	77%	0.772	S	S	*	*			trans	-90.8	120	174.6	49.2	0	0	0	0	110.5
682	V	36.4	Very low	41.9	Very low	152 Å²	152	146.1 Å²	146.1	92%	0.921	79%	0.785	S	S	*	*			trans	-147.3	138.1	152.3	179.4	0	0	0	0	110
683	N	31.9	Very low	39.8	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	80%	0.795	S	S	*	*			trans	-85.9	164.7	-175.2	-98	-38	0	0	0	114.2
684	Q	34.5	Very low	37.9	Very low	175 Å²	175	150.1 Å²	150.1	82%	0.818	81%	0.814	S	S	*	*			trans	84.7	109	153.1	-75.4	176.6	-1.9	0	0	122
685	N	28.9	Very low	36.4	Very low	146 Å²	146	151.5 Å²	151.5	78%	0.781	82%	0.818	S	S	*	*			trans	40.6	113.1	131.1	-67.2	-17.2	0	0	0	121.1
686	I	33.5	Very low	35.4	Very low	160 Å²	160	153.4 Å²	153.4	82%	0.821	83%	0.828	S	S	*	*				164.7	132.6	117.1	-83.4	161.3	0	0	0	111.2
687	R	31.8	Very low	34.7	Very low	231 Å²	231	152.6 Å²	152.6	87%	0.872	83%	0.825	S	S	*	*			trans	38.6	115	159.3	-78.4	178.4	171.1	166.3	-2.7	121	S689	R687-S689 PolarHBondContact O-N 3.07Å
688	K	28.4	Very low	33.9	Very low	223 Å²	223	157 Å²	157	97%	0.97	83%	0.832	S	S	*	*			trans	-1.8	95	139.3	-65.2	178.3	177.8	176.7	0	115.7
689	S	32.3	Very low	33.4	Very low	102 Å²	102	166.2 Å²	166.2	71%	0.713	85%	0.849	S	S	*	*			trans	-118.7	127.5	145.4	55.1	0	0	0	0	108.2	R687 S691	R687-S689 PolarHBondContact O-N 3.07Å; S689-S691 PolarHBondContact O-N 3.33Å
690	K	28.5	Very low	33.1	Very low	221 Å²	221	164.2 Å²	164.2	96%	0.961	85%	0.846	S	S	*	*			trans	-69.7	109.8	168.7	-84.2	172	169.8	174.4	0	107.2
691	S	34.1	Very low	32.8	Very low	95 Å²	95	166.5 Å²	166.5	66%	0.664	85%	0.847	S	S	*	*			trans	-138	112	158.6	50.2	0	0	0	0	110.1	S689	S689-S691 PolarHBondContact O-N 3.33Å
692	Q	29.5	Very low	32.8	Very low	194 Å²	194	169.6 Å²	169.6	91%	0.907	85%	0.851	S	S	*	*			trans	32.8	94	145.4	-66.2	178.4	-20.6	0	0	117.2	S694	Q692-S694 PolarHBondContact O-N 3.37Å
693	I	35.7	Very low	32.6	Very low	171 Å²	171	170.6 Å²	170.6	88%	0.877	85%	0.846	S	S	*	*			trans	-74.5	106.2	153.3	-66.3	168.7	0	0	0	106.2	T695	I693-T695 PolarHBondContact O-N 2.72Å
694	S	33.4	Very low	32.6	Very low	98 Å²	98	172 Å²	172	69%	0.685	85%	0.85	S	S	*	*			trans	-54.6	128.8	172.3	45.4	0	0	0	0	110.4	Q692 L696	Q692-S694 PolarHBondContact O-N 3.37Å; S694-L696 PolarHBondContact O-N 3.32Å
695	T	33.9	Very low	32.5	Very low	135 Å²	135	171.8 Å²	171.8	83%	0.828	85%	0.852	S	S	*	*			trans	-61.4	112.6	168.3	42.5	0	0	0	0	109.2	I693 P697	I693-T695 PolarHBondContact O-N 2.72Å; T695-P697 WeakPolarHBondContact O-CD 3.39Å
696	L	35.1	Very low	32.7	Very low	159 Å²	159	173.6 Å²	173.6	83%	0.832	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-75.3	120.6	162.4	-86.8	158.7	0	0	0	108.4	S694	S694-L696 PolarHBondContact O-N 3.32Å
697	P	33.7	Very low	32.7	Very low	115 Å²	115	174.7 Å²	174.7	75%	0.747	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-81.6	121.5	177.6	31.5	-28.7	0	0	0	109.3	T695	T695-P697 WeakPolarHBondContact O-CD 3.39Å
698	F	35.4	Very low	32.7	Very low	211 Å²	211	170 Å²	170	93%	0.925	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-77	121.3	159.7	-98.3	-92.3	0	0	0	107.7
699	R	33.1	Very low	33.1	Very low	316 Å²	316	165.2 Å²	165.2	100%	1.192	85%	0.848	S	S	*	*			trans	-67.4	0	167.5	-92.2	-172.1	177.1	-178.9	-0.4	111

Retrieved 699 of 699 residues in 393.1 ms (Link to these results)

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