A0A087YFM6_POEFO Loading...

Inhibitor of nuclear factor kappa B kinase subunit epsilon

AlphaFold DB , UniProt , Accession A0A087YFM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 735 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	29.8	Very low	245 Å²	245	148.2 Å²	148.2	100%	1.207	85%	0.848	S	S	*	*				0	120.2	0	-84	171.5	171	0	0	108.5
2	N	29	Very low	29.8	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	85%	0.85	S	S	*	*			trans	62.7	92.3	162.5	-67.7	3.4	0	0	0	121.8
3	N	29.3	Very low	30	Very low	148 Å²	148	142.4 Å²	142.4	79%	0.791	83%	0.827	S	S	*	*			trans	-13.8	137.3	130.7	-73.8	-14.1	0	0	0	117.1
4	N	27.9	Very low	30.4	Very low	175 Å²	175	146.5 Å²	146.5	94%	0.936	84%	0.838	S	S	*	*			trans	-145.6	93.5	139.2	-104.6	-15.5	0	0	0	110.1
5	S	30.5	Very low	31.3	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	83%	0.83	S	S	*	*			trans	-79.2	146.1	169	49.1	0	0	0	0	110.9
6	A	33.9	Very low	32.8	Very low	98 Å²	98	138 Å²	138	81%	0.81	81%	0.813	S	S	*	*			trans	-42.7	135.9	172.9	0	0	0	0	0	113.5
7	N	26.6	Very low	35.3	Very low	147 Å²	147	135.5 Å²	135.5	79%	0.786	79%	0.794	S	S	*	*			trans	-126.3	97.3	165.2	-135.1	-4.5	0	0	0	108.3	R9	N7-R9 PolarHBondContact O-N 3.49Å
8	C	30.3	Very low	38.2	Very low	120 Å²	120	133.9 Å²	133.9	81%	0.811	79%	0.787	S	S	*	*			trans	-51.7	100.1	160.6	-91.2	0	0	0	0	108.5	T10	C8-T10 PolarHBondContact O-N 3.44Å
9	R	27.8	Very low	41	Very low	231 Å²	231	127.5 Å²	127.5	87%	0.872	75%	0.752	S	S	*	*			trans	-80.5	98.2	160.5	-74.8	-173.9	-178	-177.5	1.5	107.2	N7 G11	N7-R9 PolarHBondContact O-N 3.49Å; R9-G11 VanDerWaalsContact C-N 3.33Å; R9-G11 PolarHBondContact O-N 3.28Å
10	T	33.2	Very low	43.6	Very low	128 Å²	128	123.3 Å²	123.3	79%	0.785	73%	0.729	S	S	*	*			trans	-39.7	97.8	154.6	47	0	0	0	0	109.4	C8 T12	C8-T10 PolarHBondContact O-N 3.44Å; T10-T12 PolarHBondContact O-N 3.37Å
11	G	28.1	Very low	46.1	Very low	71 Å²	71	117.9 Å²	117.9	73%	0.732	70%	0.697	S	S	*	*			trans	-64.1	112.8	164.2	0	0	0	0	0	107.2	R9 S13	R9-G11 VanDerWaalsContact C-N 3.33Å; R9-G11 PolarHBondContact O-N 3.28Å; G11-S13 PolarHBondContact O-N 2.89Å
12	T	29.7	Very low	49.2	Very low	143 Å²	143	109.8 Å²	109.8	88%	0.877	67%	0.669	S	S	*	*			trans	-50.2	111.9	176	-35.7	0	0	0	0	108.8	T10 M14	T10-T12 PolarHBondContact O-N 3.37Å; T12-M14 PolarHBondContact O-N 2.95Å
13	S	32.9	Very low	52.4	Low	78 Å²	78	105.5 Å²	105.5	55%	0.545	65%	0.647	S	S	.	*			trans	-55.1	132.3	178.4	126.2	0	0	0	0	110.2	G11 S15	G11-S13 PolarHBondContact O-N 2.89Å; S13-S15 PolarHBondContact O-N 3.49Å; S13-S15 WeakPolarHBondContact OG-CB 3.4Å; S13-S15 PolarHBondContact OG-N 3.29Å; S13-S15 VanDerWaalsContact OG-N 3.11Å; S13-S15 PolarHBondContact OG-OG 2.89Å
14	M	35	Very low	55.6	Low	200 Å²	200	99.5 Å²	99.5	99%	0.985	61%	0.613	S	S	*	*			trans	-68.9	60.9	160.6	-71.9	-162.5	-160.9	0	0	109.8	T12 G16	T12-M14 PolarHBondContact O-N 2.95Å; M14-G16 PolarHBondContact O-N 2.96Å
15	S	45.1	Very low	58.8	Low	102 Å²	102	94.9 Å²	94.9	71%	0.713	59%	0.588	S	S	*	*			trans	-84.1	96.4	173.1	46.1	0	0	0	0	108.6	S13	S13-S15 PolarHBondContact O-N 3.49Å; S13-S15 WeakPolarHBondContact OG-CB 3.4Å; S13-S15 PolarHBondContact OG-N 3.29Å; S13-S15 VanDerWaalsContact OG-N 3.11Å; S13-S15 PolarHBondContact OG-OG 2.89Å
16	G	55.5	Low	62	Low	55 Å²	55	90.3 Å²	90.3	57%	0.567	56%	0.555	S	S	*	*	S	Bend	trans	174.2	125.2	164.5	0	0	0	0	0	111.3	M14	M14-G16 PolarHBondContact O-N 2.96Å
17	I	74	Confident	64.9	Low	95 Å²	95	87 Å²	87	49%	0.487	53%	0.526	S	S	.	.	S	Bend	trans	91.9	36.7	164.9	-39.2	161.9	0	0	0	116.1	M28 H29	I17-M28 HydrophobicContact CG2-CB 3.39Å; I17-M28 HydrophobicContact CG2-CG 3.68Å; I17-M28 PolarHBondContact O-N 3.36Å; I17-M28 VanDerWaalsContact O-N 3.1Å; I17-H29 VanDerWaalsContact CG2-CE1 3.44Å; I17-H29 WeakPolarHBondContact CG2-CE1 3.49Å
18	T	87.8	Confident	67.9	Low	108 Å²	108	83.7 Å²	83.7	66%	0.663	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.8	166.3	27.4	0	0	0	0	111.1	W26	T18-W26 CarbonylContact C-O 3.52Å; T18-W26 WeakPolarHBondContact CA-O 3.37Å
19	G	91.5	Very high	70.8	Confident	11 Å²	11	84.3 Å²	84.3	11%	0.113	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	147	171.3	0	0	0	0	0	110.9	L25 W26	G19-L25 WeakPolarHBondContact O-CA 3.27Å; G19-W26 PolarHBondContact N-O 3.49Å; G19-W26 PolarHBondContact O-N 3.46Å
20	S	94.2	Very high	73.9	Confident	43 Å²	43	77.2 Å²	77.2	30%	0.301	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	147.2	-179.1	-166.8	0	0	0	0	113.1	Y24 K46 L93	S20-Y24 WeakPolarHBondContact CA-O 3.08Å; S20-Y24 PolarHBondContact OG-O 3.39Å; S20-K46 WeakPolarHBondContact OG-CE 3.04Å; S20-K46 PolarHBondContact OG-NZ 3Å; S20-L93 WeakPolarHBondContact O-CD2 3.21Å
21	T	95.5	Very high	76.7	Confident	10 Å²	10	74.9 Å²	74.9	6%	0.061	46%	0.459	C	S	.	.			trans	-116.6	-167.7	169.1	61.8	0	0	0	0	110	N23 Y24 W26 K46 E91 L93 V99	T21-N23 PolarHBondContact O-N 2.9Å; T21-Y24 PolarHBondContact N-O 3.26Å; T21-Y24 PolarHBondContact OG1-N 2.85Å; T21-Y24 VanDerWaalsContact OG1-N 3.16Å; T21-W26 HydrophobicContact CG2-CH2 3.92Å; T21-W26 HydrophobicContact CG2-CZ3 3.98Å; T21-K46 PolarHBondContact O-NZ 3.22Å; T21-E91 WeakPolarHBondContact CB-OE2 3.33Å; T21-E91 HydrophobicContact CG2-CB 3.95Å; T21-E91 PolarHBondContact OG1-OE2 3.46Å; T21-L93 HydrophobicContact CG2-CD2 4.1Å; T21-V99 HydrophobicContact CG2-CG2 3.56Å
22	A	94.4	Very high	79.8	Confident	75 Å²	75	75.4 Å²	75.4	62%	0.62	44%	0.444	S	S	*	.	S	Bend	trans	-54.4	-51.5	174.8	0	0	0	0	0	111.5	K46 E91	A22-K46 PolarHBondContact O-NZ 3.22Å; A22-E91 PolarHBondContact N-OE2 2.88Å
23	N	96.3	Very high	82.5	Confident	75 Å²	75	70 Å²	70	40%	0.401	42%	0.417	S	S	.	.	S	Bend	trans	-110.5	-7.2	-171.4	-58.5	-62	0	0	0	115	T21 K46 E91	T21-N23 PolarHBondContact O-N 2.9Å; N23-K46 WeakPolarHBondContact O-CB 3.32Å; N23-K46 WeakPolarHBondContact O-CG 3.42Å; N23-K46 PolarHBondContact O-N 2.91Å; N23-E91 WeakPolarHBondContact CB-OE1 3.46Å; N23-E91 PolarHBondContact N-OE2 3.28Å; N23-E91 VanDerWaalsContact N-OE2 3.09Å; N23-E91 PolarHBondContact ND2-OE1 3.48Å
24	Y	97	Very high	85	Confident	22 Å²	22	73.5 Å²	73.5	9%	0.086	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	153	-173.3	-57.1	-88.7	0	0	0	113.1	S20 T21 R44 N45 K46 V52 E91 V101	S20-Y24 WeakPolarHBondContact CA-O 3.08Å; S20-Y24 PolarHBondContact OG-O 3.39Å; T21-Y24 PolarHBondContact N-O 3.26Å; T21-Y24 PolarHBondContact OG1-N 2.85Å; T21-Y24 VanDerWaalsContact OG1-N 3.16Å; Y24-R44 WeakPolarHBondContact CA-O 3.3Å; Y24-N45 HydrophobicContact CD1-CB 4.02Å; Y24-N45 HydrophobicContact CE1-CB 3.74Å; Y24-N45 WeakPolarHBondContact CE1-ND2 3.36Å; Y24-K46 WeakPolarHBondContact O-CE 3.48Å; Y24-V52 HydrophobicContact CD1-CG2 3.58Å; Y24-V52 HydrophobicContact CE1-CG1 4.05Å; Y24-V52 HydrophobicContact CE1-CG2 3.86Å; Y24-E91 HydrophobicContact CD2-CG 4.48Å; Y24-E91 WeakPolarHBondContact CD2-OE2 3.33Å; Y24-E91 HydrophobicContact CE2-CG 4.47Å; Y24-E91 VanDerWaalsContact CE2-OE1 3.29Å; Y24-E91 WeakPolarHBondContact CE2-OE1 3.39Å; Y24-V101 HydrophobicContact CD1-CG1 4Å; Y24-V101 HydrophobicContact CD2-CG1 4.2Å; Y24-V101 HydrophobicContact CD2-CG2 3.8Å; Y24-V101 HydrophobicContact CE1-CG1 3.65Å; Y24-V101 HydrophobicContact CE2-CB 4.3Å; Y24-V101 HydrophobicContact CE2-CG1 3.89Å; Y24-V101 HydrophobicContact CE2-CG2 3.85Å; Y24-V101 HydrophobicContact CG-CG1 4.26Å; Y24-V101 HydrophobicContact CG-CG2 4.36Å
25	L	96.2	Very high	87	Confident	77 Å²	77	66 Å²	66	40%	0.403	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146	176.9	80.2	94.6	0	0	0	111	G19 A43 R44 K46	G19-L25 WeakPolarHBondContact O-CA 3.27Å; L25-A43 CarbonylContact O-C 3.58Å; L25-A43 WeakPolarHBondContact O-CA 3.45Å; L25-A43 WeakPolarHBondContact O-CB 3.31Å; L25-R44 PolarHBondContact N-O 3.18Å; L25-R44 PolarHBondContact O-N 3.32Å; L25-K46 HydrophobicContact CB-CG 4.45Å; L25-K46 HydrophobicContact CD2-CG 3.9Å
26	W	96.1	Very high	88.5	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.027	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	157.6	175.6	60.8	98.2	0	0	0	112.1	T18 G19 T21 Y41 K42 A43 V54 V56 L93	T18-W26 CarbonylContact C-O 3.52Å; T18-W26 WeakPolarHBondContact CA-O 3.37Å; G19-W26 PolarHBondContact N-O 3.49Å; G19-W26 PolarHBondContact O-N 3.46Å; T21-W26 HydrophobicContact CG2-CH2 3.92Å; T21-W26 HydrophobicContact CG2-CZ3 3.98Å; W26-Y41 VanDerWaalsContact CD1-CB 3.47Å; W26-Y41 AromaticContact CD1-CD1 3.74Å; W26-Y41 AromaticContact CD1-CD2 3.93Å; W26-Y41 AromaticContact CD1-CG 3.43Å; W26-Y41 VanDerWaalsContact CD1-CG 3.43Å; W26-Y41 HydrophobicContact CG-CG 4.27Å; W26-Y41 AromaticContact NE1-CD2 3.68Å; W26-Y41 AromaticContact NE1-CG 3.69Å; W26-K42 VanDerWaalsContact CB-O 3.28Å; W26-K42 WeakPolarHBondContact CB-O 3.3Å; W26-A43 HydrophobicContact CB-CB 3.75Å; W26-A43 HydrophobicContact CE3-CB 4.24Å; W26-A43 HydrophobicContact CG-CB 4.48Å; W26-V54 HydrophobicContact CE3-CB 4.32Å; W26-V54 HydrophobicContact CE3-CG1 4.22Å; W26-V54 HydrophobicContact CE3-CG2 4.2Å; W26-V54 HydrophobicContact CH2-CG1 3.88Å; W26-V54 HydrophobicContact CZ2-CG1 4.22Å; W26-V54 HydrophobicContact CZ3-CB 4.44Å; W26-V54 HydrophobicContact CZ3-CG1 3.88Å; W26-V54 HydrophobicContact CZ3-CG2 4.33Å; W26-V56 HydrophobicContact CH2-CG2 4.45Å; W26-V56 HydrophobicContact CZ2-CG2 3.71Å; W26-L93 HydrophobicContact CH2-CD2 3.54Å; W26-L93 HydrophobicContact CZ2-CD2 3.85Å
27	S	94.9	Very high	89.6	Confident	30 Å²	30	64.4 Å²	64.4	21%	0.21	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.6	167.4	176	0	0	0	0	109.5	H29 D30	S27-H29 PolarHBondContact O-N 3.44Å; S27-H29 PolarHBondContact OG-N 2.92Å; S27-H29 PolarHBondContact OG-ND1 3.45Å; S27-D30 WeakPolarHBondContact CB-OD2 3.45Å; S27-D30 PolarHBondContact O-N 2.91Å; S27-D30 VanDerWaalsContact O-N 3.15Å
28	M	90.3	Very high	90.3	Very high	76 Å²	76	60.1 Å²	60.1	37%	0.374	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-6.2	173.6	-46	-76.5	-73	0	0	112.9	I17 I31 Y41	I17-M28 HydrophobicContact CG2-CB 3.39Å; I17-M28 HydrophobicContact CG2-CG 3.68Å; I17-M28 PolarHBondContact O-N 3.36Å; I17-M28 VanDerWaalsContact O-N 3.1Å; M28-I31 WeakPolarHBondContact O-CG1 3.32Å; M28-Y41 HydrophobicContact CB-CE1 4.18Å; M28-Y41 HydrophobicContact CE-CE1 4.29Å; M28-Y41 WeakPolarHBondContact CE-OH 3.48Å; M28-Y41 HydrophobicContact SD-CE1 4.17Å
29	H	90.5	Very high	90.4	Very high	134 Å²	134	55.2 Å²	55.2	62%	0.62	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	-20.6	171.8	-58.4	91.7	0	0	0	112.4	I17 S27 I31	I17-H29 VanDerWaalsContact CG2-CE1 3.44Å; I17-H29 WeakPolarHBondContact CG2-CE1 3.49Å; S27-H29 PolarHBondContact O-N 3.44Å; S27-H29 PolarHBondContact OG-N 2.92Å; S27-H29 PolarHBondContact OG-ND1 3.45Å; H29-I31 PolarHBondContact O-N 3.29Å
30	D	92.9	Very high	90.6	Very high	82 Å²	82	56.2 Å²	56.2	44%	0.439	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	51.1	-177.5	-65.4	-25.7	0	0	0	111.2	S27 L32 Y41 K42	S27-D30 WeakPolarHBondContact CB-OD2 3.45Å; S27-D30 PolarHBondContact O-N 2.91Å; S27-D30 VanDerWaalsContact O-N 3.15Å; D30-L32 PolarHBondContact O-N 2.95Å; D30-Y41 CarbonylContact O-C 3.54Å; D30-Y41 WeakPolarHBondContact O-CA 3.33Å; D30-K42 HydrophobicContact CB-CB 4.05Å; D30-K42 PolarHBondContact O-N 3.5Å
31	I	93.4	Very high	90.7	Very high	79 Å²	79	55 Å²	55	41%	0.405	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.2	178.9	-63.4	167.3	0	0	0	109.1	M28 H29 Q34 Y41	M28-I31 WeakPolarHBondContact O-CG1 3.32Å; H29-I31 PolarHBondContact O-N 3.29Å; I31-Q34 HydrophobicContact CG2-CB 4.47Å; I31-Y41 HydrophobicContact CD1-CE1 4.21Å; I31-Y41 HydrophobicContact CG1-CD1 3.81Å; I31-Y41 HydrophobicContact CG1-CE1 3.41Å; I31-Y41 VanDerWaalsContact CG1-CE1 3.41Å
32	L	92.1	Very high	90.8	Very high	81 Å²	81	57.5 Å²	57.5	42%	0.424	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-33.7	172.5	-63.5	177.3	0	0	0	111.8	D30 V40 K42 A53 Y104	D30-L32 PolarHBondContact O-N 2.95Å; L32-V40 HydrophobicContact CB-CB 4.48Å; L32-V40 HydrophobicContact CB-CG1 4.28Å; L32-V40 HydrophobicContact CD1-CG1 4.36Å; L32-V40 PolarHBondContact N-O 2.92Å; L32-K42 HydrophobicContact CD1-CB 4.01Å; L32-K42 HydrophobicContact CD2-CB 3.96Å; L32-K42 HydrophobicContact CG-CB 3.97Å; L32-A53 HydrophobicContact CD1-CB 4.14Å; L32-Y104 HydrophobicContact CD1-CD2 3.74Å; L32-Y104 HydrophobicContact CD1-CE2 3.78Å; L32-Y104 HydrophobicContact CD2-CE2 3.85Å; L32-Y104 HydrophobicContact CG-CE2 4.49Å
33	G	87	Confident	90.9	Very high	31 Å²	31	54 Å²	54	32%	0.32	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	150.7	178.5	0	0	0	0	0	111.7	V40	G33-V40 PolarHBondContact N-O 3.27Å; G33-V40 PolarHBondContact O-N 2.94Å
34	Q	85.3	Confident	91	Very high	150 Å²	150	56.5 Å²	56.5	70%	0.701	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.6	178.3	-171.5	173	16.3	0	0	109.4	I31	I31-Q34 HydrophobicContact CG2-CB 4.47Å
35	G	77.2	Confident	91	Very high	42 Å²	42	56.8 Å²	56.8	43%	0.433	31%	0.313	S	S	.	.			trans	-123.9	178.8	178.2	0	0	0	0	0	112	T37 A38 N58	G35-T37 PolarHBondContact O-N 3.48Å; G35-A38 PolarHBondContact N-O 3.46Å; G35-N58 PolarHBondContact O-ND2 2.91Å
36	A	75.9	Confident	91	Very high	92 Å²	92	58 Å²	58	76%	0.76	32%	0.315	S	S	*	.	S	Bend	trans	-62.1	-32.3	177.9	0	0	0	0	0	112.5	N58	A36-N58 PolarHBondContact O-ND2 3.46Å
37	T	79.1	Confident	91	Very high	33 Å²	33	68.4 Å²	68.4	20%	0.202	35%	0.354	C	S	.	.	S	Bend	trans	-99.9	-26.8	-172.3	52.5	0	0	0	0	114.1	G35 F57 N58 S61	G35-T37 PolarHBondContact O-N 3.48Å; T37-F57 WeakPolarHBondContact O-CA 3.38Å; T37-N58 PolarHBondContact O-N 2.92Å; T37-S61 VanDerWaalsContact CA-OG 3.25Å; T37-S61 WeakPolarHBondContact CA-OG 3.19Å; T37-S61 PolarHBondContact O-OG 3.17Å
38	A	87.9	Confident	91.1	Very high	4 Å²	4	70.5 Å²	70.5	3%	0.033	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.5	-172.4	0	0	0	0	0	112	G35 K55 V56 F57	G35-A38 PolarHBondContact N-O 3.46Å; A38-K55 HydrophobicContact CB-CD 4.15Å; A38-K55 HydrophobicContact CB-CG 3.61Å; A38-V56 CarbonylContact C-O 3.48Å; A38-V56 WeakPolarHBondContact CA-O 3.36Å; A38-V56 VanDerWaalsContact CB-O 3.32Å; A38-V56 WeakPolarHBondContact CB-O 3.3Å; A38-F57 HydrophobicContact CB-CD1 4Å; A38-F57 HydrophobicContact CB-CE1 4.49Å
39	S	91.8	Very high	91.3	Very high	5 Å²	5	68.6 Å²	68.6	4%	0.035	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.8	165.9	-61.7	0	0	0	0	109.1	Y41 V56	S39-Y41 VanDerWaalsContact CB-CE2 3.5Å; S39-Y41 WeakPolarHBondContact CB-OH 3.26Å; S39-V56 PolarHBondContact N-O 2.86Å; S39-V56 PolarHBondContact O-N 3.31Å
40	V	94.9	Very high	91.6	Very high	32 Å²	32	67.2 Å²	67.2	19%	0.194	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.5	178.3	-173.7	0	0	0	0	108.7	L32 G33 A53 V54 K55	L32-V40 HydrophobicContact CB-CB 4.48Å; L32-V40 HydrophobicContact CB-CG1 4.28Å; L32-V40 HydrophobicContact CD1-CG1 4.36Å; L32-V40 PolarHBondContact N-O 2.92Å; G33-V40 PolarHBondContact N-O 3.27Å; G33-V40 PolarHBondContact O-N 2.94Å; V40-A53 HydrophobicContact CG1-CB 4.08Å; V40-V54 CarbonylContact C-O 3.6Å; V40-V54 WeakPolarHBondContact CA-O 3.41Å; V40-K55 HydrophobicContact CG2-CB 4.16Å; V40-K55 HydrophobicContact CG2-CG 3.98Å
41	Y	96.4	Very high	91.8	Very high	17 Å²	17	66 Å²	66	7%	0.067	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.1	-177.2	-60.1	-89.7	0	0	0	111.4	W26 M28 D30 I31 S39 A53 V54 V56	W26-Y41 VanDerWaalsContact CD1-CB 3.47Å; W26-Y41 AromaticContact CD1-CD1 3.74Å; W26-Y41 AromaticContact CD1-CD2 3.93Å; W26-Y41 AromaticContact CD1-CG 3.43Å; W26-Y41 VanDerWaalsContact CD1-CG 3.43Å; W26-Y41 HydrophobicContact CG-CG 4.27Å; W26-Y41 AromaticContact NE1-CD2 3.68Å; W26-Y41 AromaticContact NE1-CG 3.69Å; M28-Y41 HydrophobicContact CB-CE1 4.18Å; M28-Y41 HydrophobicContact CE-CE1 4.29Å; M28-Y41 WeakPolarHBondContact CE-OH 3.48Å; M28-Y41 HydrophobicContact SD-CE1 4.17Å; D30-Y41 CarbonylContact O-C 3.54Å; D30-Y41 WeakPolarHBondContact O-CA 3.33Å; I31-Y41 HydrophobicContact CD1-CE1 4.21Å; I31-Y41 HydrophobicContact CG1-CD1 3.81Å; I31-Y41 HydrophobicContact CG1-CE1 3.41Å; I31-Y41 VanDerWaalsContact CG1-CE1 3.41Å; S39-Y41 VanDerWaalsContact CB-CE2 3.5Å; S39-Y41 WeakPolarHBondContact CB-OH 3.26Å; Y41-A53 CarbonylContact O-C 3.56Å; Y41-A53 WeakPolarHBondContact O-CA 3.44Å; Y41-V54 PolarHBondContact N-O 2.95Å; Y41-V54 PolarHBondContact O-N 3.27Å; Y41-V56 HydrophobicContact CD2-CB 4.43Å; Y41-V56 HydrophobicContact CD2-CG2 3.8Å; Y41-V56 HydrophobicContact CE2-CB 4.07Å; Y41-V56 HydrophobicContact CE2-CG2 3.85Å
42	K	97.2	Very high	92	Very high	63 Å²	63	62.2 Å²	62.2	27%	0.274	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.2	164.8	-169.6	175.6	178.9	164.1	0	107.9	W26 D30 L32 L51 Y104	W26-K42 VanDerWaalsContact CB-O 3.28Å; W26-K42 WeakPolarHBondContact CB-O 3.3Å; D30-K42 HydrophobicContact CB-CB 4.05Å; D30-K42 PolarHBondContact O-N 3.5Å; L32-K42 HydrophobicContact CD1-CB 4.01Å; L32-K42 HydrophobicContact CD2-CB 3.96Å; L32-K42 HydrophobicContact CG-CB 3.97Å; K42-L51 HydrophobicContact CD-CD2 4.47Å; K42-L51 HydrophobicContact CG-CD2 4.23Å; K42-Y104 HydrophobicContact CD-CE1 4.47Å; K42-Y104 HydrophobicContact CD-CE2 4.17Å; K42-Y104 HydrophobicContact CG-CD2 4.45Å; K42-Y104 HydrophobicContact CG-CE2 4.15Å; K42-Y104 PolarHBondContact NZ-OH 3.11Å; K42-Y104 VanDerWaalsContact NZ-OH 3.09Å
43	A	97.3	Very high	92.3	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.025	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	171.4	-175.1	0	0	0	0	0	110.9	L25 W26 L51 V52 V54	L25-A43 CarbonylContact O-C 3.58Å; L25-A43 WeakPolarHBondContact O-CA 3.45Å; L25-A43 WeakPolarHBondContact O-CB 3.31Å; W26-A43 HydrophobicContact CB-CB 3.75Å; W26-A43 HydrophobicContact CE3-CB 4.24Å; W26-A43 HydrophobicContact CG-CB 4.48Å; A43-L51 WeakPolarHBondContact O-CA 3.44Å; A43-V52 HydrophobicContact CB-CG2 3.78Å; A43-V52 PolarHBondContact N-O 2.98Å; A43-V52 PolarHBondContact O-N 3.29Å; A43-V54 HydrophobicContact CB-CB 4.18Å; A43-V54 HydrophobicContact CB-CG2 3.44Å; A43-V54 VanDerWaalsContact CB-CG2 3.44Å
44	R	97.4	Very high	92.7	Very high	126 Å²	126	57.2 Å²	57.2	48%	0.475	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.2	173.7	-72.1	178.6	-175	-84.8	5.3	110.9	Y24 L25 K46 G49 E50 L51	Y24-R44 WeakPolarHBondContact CA-O 3.3Å; L25-R44 PolarHBondContact N-O 3.18Å; L25-R44 PolarHBondContact O-N 3.32Å; R44-K46 PolarHBondContact O-N 2.93Å; R44-G49 PolarHBondContact NH1-O 3.3Å; R44-G49 VanDerWaalsContact NH1-O 3.16Å; R44-E50 CarbonylContact C-O 3.15Å; R44-E50 VanDerWaalsContact CA-O 3.31Å; R44-E50 WeakPolarHBondContact CA-O 3.21Å; R44-L51 HydrophobicContact CG-CD2 3.78Å
45	N	97.6	Very high	93.2	Very high	28 Å²	28	50.5 Å²	50.5	15%	0.15	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.9	163.2	-174.8	-64.8	0	0	0	109.2	Y24 R47 S48 G49 E50	Y24-N45 HydrophobicContact CD1-CB 4.02Å; Y24-N45 HydrophobicContact CE1-CB 3.74Å; Y24-N45 WeakPolarHBondContact CE1-ND2 3.36Å; N45-R47 PolarHBondContact O-N 3.32Å; N45-R47 WeakPolarHBondContact OD1-CA 3.18Å; N45-R47 WeakPolarHBondContact OD1-CB 3.39Å; N45-R47 PolarHBondContact OD1-N 2.96Å; N45-S48 VanDerWaalsContact CB-OG 3.28Å; N45-S48 WeakPolarHBondContact CB-OG 3.32Å; N45-S48 VanDerWaalsContact CG-OG 3.31Å; N45-S48 PolarHBondContact OD1-N 3.49Å; N45-S48 PolarHBondContact OD1-OG 3.39Å; N45-G49 VanDerWaalsContact O-CA 3.27Å; N45-G49 WeakPolarHBondContact O-CA 3.35Å; N45-G49 PolarHBondContact O-N 3.28Å; N45-E50 HydrophobicContact CB-CB 4.4Å; N45-E50 PolarHBondContact N-O 3.47Å
46	K	96.6	Very high	93.9	Very high	104 Å²	104	49.4 Å²	49.4	45%	0.452	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.7	-177.1	-75.4	173.1	178.9	176.9	0	113.5	S20 T21 A22 N23 Y24 L25 R44	S20-K46 WeakPolarHBondContact OG-CE 3.04Å; S20-K46 PolarHBondContact OG-NZ 3Å; T21-K46 PolarHBondContact O-NZ 3.22Å; A22-K46 PolarHBondContact O-NZ 3.22Å; N23-K46 WeakPolarHBondContact O-CB 3.32Å; N23-K46 WeakPolarHBondContact O-CG 3.42Å; N23-K46 PolarHBondContact O-N 2.91Å; Y24-K46 WeakPolarHBondContact O-CE 3.48Å; L25-K46 HydrophobicContact CB-CG 4.45Å; L25-K46 HydrophobicContact CD2-CG 3.9Å; R44-K46 PolarHBondContact O-N 2.93Å
47	R	95.6	Very high	94.5	Very high	224 Å²	224	46.5 Å²	46.5	85%	0.845	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-52	-176.6	-172.7	-174.6	-64	-170	0.7	111.8	N45	N45-R47 PolarHBondContact O-N 3.32Å; N45-R47 WeakPolarHBondContact OD1-CA 3.18Å; N45-R47 WeakPolarHBondContact OD1-CB 3.39Å; N45-R47 PolarHBondContact OD1-N 2.96Å
48	S	96.6	Very high	94.7	Very high	75 Å²	75	47.4 Å²	47.4	52%	0.524	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-19.4	-174.9	63	0	0	0	0	113.7	N45 E50	N45-S48 VanDerWaalsContact CB-OG 3.28Å; N45-S48 WeakPolarHBondContact CB-OG 3.32Å; N45-S48 VanDerWaalsContact CG-OG 3.31Å; N45-S48 PolarHBondContact OD1-N 3.49Å; N45-S48 PolarHBondContact OD1-OG 3.39Å; S48-E50 PolarHBondContact O-N 3.3Å; S48-E50 VanDerWaalsContact OG-CB 3.29Å; S48-E50 WeakPolarHBondContact OG-CB 3.46Å; S48-E50 PolarHBondContact OG-N 3.49Å
49	G	95.5	Very high	94.2	Very high	35 Å²	35	52.6 Å²	52.6	36%	0.361	26%	0.262	S	S	.	.			trans	75.1	-2.8	-172.6	0	0	0	0	0	114.6	R44 N45	R44-G49 PolarHBondContact NH1-O 3.3Å; R44-G49 VanDerWaalsContact NH1-O 3.16Å; N45-G49 VanDerWaalsContact O-CA 3.27Å; N45-G49 WeakPolarHBondContact O-CA 3.35Å; N45-G49 PolarHBondContact O-N 3.28Å
50	E	96.3	Very high	93.3	Very high	106 Å²	106	58.7 Å²	58.7	50%	0.495	29%	0.294	S	S	.	.			trans	-57.2	137.3	179.7	-175.3	-179.3	-167.2	0	0	111.4	R44 N45 S48	R44-E50 CarbonylContact C-O 3.15Å; R44-E50 VanDerWaalsContact CA-O 3.31Å; R44-E50 WeakPolarHBondContact CA-O 3.21Å; N45-E50 HydrophobicContact CB-CB 4.4Å; N45-E50 PolarHBondContact N-O 3.47Å; S48-E50 PolarHBondContact O-N 3.3Å; S48-E50 VanDerWaalsContact OG-CB 3.29Å; S48-E50 WeakPolarHBondContact OG-CB 3.46Å; S48-E50 PolarHBondContact OG-N 3.49Å
51	L	97.1	Very high	92.3	Very high	55 Å²	55	57.6 Å²	57.6	29%	0.288	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.2	177.3	-72.9	173	0	0	0	110.7	K42 A43 R44 Y104	K42-L51 HydrophobicContact CD-CD2 4.47Å; K42-L51 HydrophobicContact CG-CD2 4.23Å; A43-L51 WeakPolarHBondContact O-CA 3.44Å; R44-L51 HydrophobicContact CG-CD2 3.78Å; L51-Y104 HydrophobicContact CB-CD1 3.77Å; L51-Y104 HydrophobicContact CB-CE1 4.43Å; L51-Y104 HydrophobicContact CB-CG 4.38Å; L51-Y104 HydrophobicContact CD1-CD1 4.17Å; L51-Y104 HydrophobicContact CD1-CE1 4.03Å
52	V	97.6	Very high	91.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	164.5	177.7	-55.6	0	0	0	0	110.4	Y24 A43 V54 F88 V101 M102	Y24-V52 HydrophobicContact CD1-CG2 3.58Å; Y24-V52 HydrophobicContact CE1-CG1 4.05Å; Y24-V52 HydrophobicContact CE1-CG2 3.86Å; A43-V52 HydrophobicContact CB-CG2 3.78Å; A43-V52 PolarHBondContact N-O 2.98Å; A43-V52 PolarHBondContact O-N 3.29Å; V52-V54 HydrophobicContact CG2-CG2 4.17Å; V52-F88 HydrophobicContact CG1-CD2 3.95Å; V52-F88 HydrophobicContact CG1-CE2 3.95Å; V52-V101 HydrophobicContact CB-CG1 4.04Å; V52-V101 HydrophobicContact CG1-CG1 4.42Å; V52-V101 HydrophobicContact CG2-CG1 3.77Å; V52-M102 WeakPolarHBondContact CB-O 3.37Å
53	A	97.6	Very high	90.1	Very high	7 Å²	7	61.5 Å²	61.5	6%	0.058	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.8	170.1	0	0	0	0	0	109.3	L32 V40 Y41 M102	L32-A53 HydrophobicContact CD1-CB 4.14Å; V40-A53 HydrophobicContact CG1-CB 4.08Å; Y41-A53 CarbonylContact O-C 3.56Å; Y41-A53 WeakPolarHBondContact O-CA 3.44Å; A53-M102 HydrophobicContact CB-CB 4.48Å; A53-M102 PolarHBondContact N-O 2.86Å; A53-M102 PolarHBondContact O-N 3.48Å
54	V	96.7	Very high	89	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.8	177	176.5	0	0	0	0	109.5	W26 V40 Y41 A43 V52 V56 V99 L100 V101	W26-V54 HydrophobicContact CE3-CB 4.32Å; W26-V54 HydrophobicContact CE3-CG1 4.22Å; W26-V54 HydrophobicContact CE3-CG2 4.2Å; W26-V54 HydrophobicContact CH2-CG1 3.88Å; W26-V54 HydrophobicContact CZ2-CG1 4.22Å; W26-V54 HydrophobicContact CZ3-CB 4.44Å; W26-V54 HydrophobicContact CZ3-CG1 3.88Å; W26-V54 HydrophobicContact CZ3-CG2 4.33Å; V40-V54 CarbonylContact C-O 3.6Å; V40-V54 WeakPolarHBondContact CA-O 3.41Å; Y41-V54 PolarHBondContact N-O 2.95Å; Y41-V54 PolarHBondContact O-N 3.27Å; A43-V54 HydrophobicContact CB-CB 4.18Å; A43-V54 HydrophobicContact CB-CG2 3.44Å; A43-V54 VanDerWaalsContact CB-CG2 3.44Å; V52-V54 HydrophobicContact CG2-CG2 4.17Å; V54-V56 HydrophobicContact CG1-CG2 3.97Å; V54-V99 HydrophobicContact CG1-CB 3.97Å; V54-V99 HydrophobicContact CG1-CG2 4.02Å; V54-L100 CarbonylContact C-O 3.47Å; V54-L100 WeakPolarHBondContact CA-O 3.39Å; V54-V101 HydrophobicContact CG2-CG1 4.42Å; V54-V101 HydrophobicContact CG2-CG2 4.37Å
55	K	94.8	Very high	88.1	Confident	9 Å²	9	63.4 Å²	63.4	4%	0.039	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.8	173.7	-171.5	175.8	-162	-179	0	109.4	A38 V40 F57 E72 V99 L100 M102 D173	A38-K55 HydrophobicContact CB-CD 4.15Å; A38-K55 HydrophobicContact CB-CG 3.61Å; V40-K55 HydrophobicContact CG2-CB 4.16Å; V40-K55 HydrophobicContact CG2-CG 3.98Å; K55-F57 HydrophobicContact CD-CE1 4.33Å; K55-F57 HydrophobicContact CD-CZ 4.37Å; K55-E72 IonicContact NZ-OE1 2.84Å; K55-E72 PolarHBondContact NZ-OE1 2.89Å; K55-E72 IonicContact NZ-OE2 3.24Å; K55-E72 PolarHBondContact NZ-OE2 3.01Å; K55-V99 WeakPolarHBondContact O-CA 3.48Å; K55-V99 WeakPolarHBondContact O-CB 3.48Å; K55-L100 HydrophobicContact CB-CB 4.17Å; K55-L100 HydrophobicContact CD-CD1 4.33Å; K55-L100 PolarHBondContact N-O 2.92Å; K55-L100 PolarHBondContact O-N 3.29Å; K55-M102 HydrophobicContact CB-CE 3.84Å; K55-D173 IonicContact NZ-OD1 3.67Å; K55-D173 PolarHBondContact NZ-OD1 3.19Å
56	V	91.9	Very high	87.2	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.121	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.1	177.9	-174.4	0	0	0	0	108.7	W26 A38 S39 Y41 V54 L93 V99	W26-V56 HydrophobicContact CH2-CG2 4.45Å; W26-V56 HydrophobicContact CZ2-CG2 3.71Å; A38-V56 CarbonylContact C-O 3.48Å; A38-V56 WeakPolarHBondContact CA-O 3.36Å; A38-V56 VanDerWaalsContact CB-O 3.32Å; A38-V56 WeakPolarHBondContact CB-O 3.3Å; S39-V56 PolarHBondContact N-O 2.86Å; S39-V56 PolarHBondContact O-N 3.31Å; Y41-V56 HydrophobicContact CD2-CB 4.43Å; Y41-V56 HydrophobicContact CD2-CG2 3.8Å; Y41-V56 HydrophobicContact CE2-CB 4.07Å; Y41-V56 HydrophobicContact CE2-CG2 3.85Å; V54-V56 HydrophobicContact CG1-CG2 3.97Å; V56-L93 HydrophobicContact CG1-CD1 3.96Å; V56-V99 HydrophobicContact CB-CG1 4.37Å; V56-V99 HydrophobicContact CG1-CG1 4.28Å; V56-V99 HydrophobicContact CG2-CG1 4.01Å
57	F	88.3	Confident	86.1	Confident	31 Å²	31	67 Å²	67	14%	0.136	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.6	178.9	-62.2	-79.7	0	0	0	111.7	T37 A38 K55 Y62 K98 L100	T37-F57 WeakPolarHBondContact O-CA 3.38Å; A38-F57 HydrophobicContact CB-CD1 4Å; A38-F57 HydrophobicContact CB-CE1 4.49Å; K55-F57 HydrophobicContact CD-CE1 4.33Å; K55-F57 HydrophobicContact CD-CZ 4.37Å; F57-Y62 HydrophobicContact CB-CE2 3.92Å; F57-K98 WeakPolarHBondContact CD2-O 3.43Å; F57-L100 HydrophobicContact CE2-CD1 4.35Å; F57-L100 HydrophobicContact CE2-CD2 4.38Å; F57-L100 HydrophobicContact CE2-CG 3.9Å; F57-L100 HydrophobicContact CZ-CD1 3.89Å; F57-L100 HydrophobicContact CZ-CG 3.97Å
58	N	83.1	Confident	85.1	Confident	51 Å²	51	57.6 Å²	57.6	27%	0.273	32%	0.32	S	S	.	.			trans	-69.6	157.9	176.8	-62.7	-22.5	0	0	0	110.8	G35 A36 T37 L60 S61 Y62	G35-N58 PolarHBondContact O-ND2 2.91Å; A36-N58 PolarHBondContact O-ND2 3.46Å; T37-N58 PolarHBondContact O-N 2.92Å; N58-L60 PolarHBondContact O-N 2.93Å; N58-S61 VanDerWaalsContact O-CB 3.28Å; N58-S61 WeakPolarHBondContact O-CB 3.47Å; N58-S61 PolarHBondContact O-N 3.33Å; N58-Y62 WeakPolarHBondContact O-CD2 3.35Å
59	V	77.4	Confident	84.1	Confident	113 Å²	113	56.8 Å²	56.8	69%	0.685	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-54.6	-39.3	179	-178.9	0	0	0	0	112.2	S61 Y62	V59-S61 PolarHBondContact O-N 3.16Å; V59-Y62 WeakPolarHBondContact O-CB 3.4Å; V59-Y62 PolarHBondContact O-N 3.49Å; V59-Y62 VanDerWaalsContact O-N 3.12Å
60	L	74.1	Confident	83.4	Confident	134 Å²	134	56.5 Å²	56.5	70%	0.702	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17.6	177.1	-64.8	175	0	0	0	114.1	N58 Y62 S63	N58-L60 PolarHBondContact O-N 2.93Å; L60-Y62 VanDerWaalsContact C-N 3.34Å; L60-S63 PolarHBondContact O-OG 3.37Å
61	S	74.1	Confident	82.8	Confident	9 Å²	9	51.7 Å²	51.7	6%	0.063	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-76.4	-27.5	174.7	-64	0	0	0	0	111.5	T37 N58 V59 S63 R64	T37-S61 VanDerWaalsContact CA-OG 3.25Å; T37-S61 WeakPolarHBondContact CA-OG 3.19Å; T37-S61 PolarHBondContact O-OG 3.17Å; N58-S61 VanDerWaalsContact O-CB 3.28Å; N58-S61 WeakPolarHBondContact O-CB 3.47Å; N58-S61 PolarHBondContact O-N 3.33Å; V59-S61 PolarHBondContact O-N 3.16Å; S61-S63 VanDerWaalsContact C-N 3.28Å; S61-S63 PolarHBondContact O-N 3.4Å; S61-R64 WeakPolarHBondContact O-CB 3.33Å; S61-R64 PolarHBondContact O-N 3.2Å
62	Y	72.2	Confident	82.3	Confident	65 Å²	65	49.4 Å²	49.4	26%	0.255	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.3	177.4	-69.4	-80	0	0	0	113.8	F57 N58 V59 L60 R64 Q69 Q97 K98	F57-Y62 HydrophobicContact CB-CE2 3.92Å; N58-Y62 WeakPolarHBondContact O-CD2 3.35Å; V59-Y62 WeakPolarHBondContact O-CB 3.4Å; V59-Y62 PolarHBondContact O-N 3.49Å; V59-Y62 VanDerWaalsContact O-N 3.12Å; L60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-R64 VanDerWaalsContact C-N 3.29Å; Y62-Q69 PolarHBondContact O-NE2 2.86Å; Y62-Q97 HydrophobicContact CD2-CG 4.38Å; Y62-Q97 HydrophobicContact CE1-CB 4.47Å; Y62-Q97 HydrophobicContact CE1-CG 4.27Å; Y62-Q97 HydrophobicContact CE2-CB 4.1Å; Y62-Q97 HydrophobicContact CE2-CG 3.67Å; Y62-Q97 WeakPolarHBondContact OH-CA 3.47Å; Y62-Q97 WeakPolarHBondContact OH-CB 3.26Å; Y62-K98 PolarHBondContact OH-N 3.34Å; Y62-K98 PolarHBondContact OH-O 3.47Å
63	S	74	Confident	81.8	Confident	97 Å²	97	51.3 Å²	51.3	68%	0.678	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.9	172	63.3	0	0	0	0	113.3	L60 S61	L60-S63 PolarHBondContact O-OG 3.37Å; S61-S63 VanDerWaalsContact C-N 3.28Å; S61-S63 PolarHBondContact O-N 3.4Å
64	R	74.1	Confident	81.4	Confident	88 Å²	88	55.1 Å²	55.1	33%	0.332	29%	0.287	S	S	.	.	S	Bend	trans	-76.6	158.1	175.2	-63.9	-177.5	174.8	-168.9	-3.5	111	S61 Y62 V68 Q69	S61-R64 WeakPolarHBondContact O-CB 3.33Å; S61-R64 PolarHBondContact O-N 3.2Å; Y62-R64 VanDerWaalsContact C-N 3.29Å; R64-V68 HydrophobicContact CB-CB 4.23Å; R64-V68 HydrophobicContact CB-CG1 4.21Å; R64-Q69 HydrophobicContact CB-CG 4.34Å; R64-Q69 PolarHBondContact O-NE2 3.45Å
65	P	78.8	Confident	81.1	Confident	81 Å²	81	55.6 Å²	55.6	53%	0.526	29%	0.29	S	S	.	.			trans	-50.3	144	170.1	-28.8	36.4	0	0	0	112.9	D67 V68 Q69	P65-D67 VanDerWaalsContact C-N 3.31Å; P65-D67 WeakPolarHBondContact CB-OD1 3.48Å; P65-D67 PolarHBondContact O-N 3.34Å; P65-V68 HydrophobicContact CB-CG2 3.9Å; P65-V68 HydrophobicContact CG-CG2 4.15Å; P65-V68 WeakPolarHBondContact O-CA 3.49Å; P65-V68 WeakPolarHBondContact O-CB 3.32Å; P65-V68 PolarHBondContact O-N 3.49Å; P65-Q69 PolarHBondContact O-N 2.92Å; P65-Q69 VanDerWaalsContact O-N 3.12Å
66	H	78.1	Confident	80.8	Confident	126 Å²	126	55.5 Å²	55.5	58%	0.583	29%	0.289	S	S	*	.	H	α-helix	trans	-60.1	-38.8	-172.7	175.1	-89.9	0	0	0	112.9	V68 Q69 M70	H66-V68 VanDerWaalsContact C-N 3.29Å; H66-V68 PolarHBondContact O-N 2.84Å; H66-Q69 WeakPolarHBondContact O-CB 3.34Å; H66-Q69 PolarHBondContact O-N 2.81Å; H66-Q69 VanDerWaalsContact O-N 3.15Å; H66-M70 VanDerWaalsContact CE1-CG 3.48Å; H66-M70 WeakPolarHBondContact CE1-CG 3.33Å; H66-M70 WeakPolarHBondContact O-CG 3.28Å; H66-M70 PolarHBondContact O-N 3.39Å
67	D	74.7	Confident	80.7	Confident	80 Å²	80	63.2 Å²	63.2	43%	0.428	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-38.8	172.7	63.8	-61.4	0	0	0	112	P65 R71	P65-D67 VanDerWaalsContact C-N 3.31Å; P65-D67 WeakPolarHBondContact CB-OD1 3.48Å; P65-D67 PolarHBondContact O-N 3.34Å; D67-R71 WeakPolarHBondContact O-CB 3.32Å; D67-R71 PolarHBondContact O-N 2.91Å; D67-R71 VanDerWaalsContact O-N 3.11Å; D67-R71 IonicContact OD2-NH2 3.94Å
68	V	74.9	Confident	80.8	Confident	27 Å²	27	66.4 Å²	66.4	16%	0.164	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-37.4	175.5	-177.2	0	0	0	0	111.1	R64 P65 H66	R64-V68 HydrophobicContact CB-CB 4.23Å; R64-V68 HydrophobicContact CB-CG1 4.21Å; P65-V68 HydrophobicContact CB-CG2 3.9Å; P65-V68 HydrophobicContact CG-CG2 4.15Å; P65-V68 WeakPolarHBondContact O-CA 3.49Å; P65-V68 WeakPolarHBondContact O-CB 3.32Å; P65-V68 PolarHBondContact O-N 3.49Å; H66-V68 VanDerWaalsContact C-N 3.29Å; H66-V68 PolarHBondContact O-N 2.84Å
69	Q	75.4	Confident	81.3	Confident	59 Å²	59	64.5 Å²	64.5	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-68.5	-39.2	178.5	-62.8	-178.5	44.8	0	0	112.1	Y62 R64 P65 H66	Y62-Q69 PolarHBondContact O-NE2 2.86Å; R64-Q69 HydrophobicContact CB-CG 4.34Å; R64-Q69 PolarHBondContact O-NE2 3.45Å; P65-Q69 PolarHBondContact O-N 2.92Å; P65-Q69 VanDerWaalsContact O-N 3.12Å; H66-Q69 WeakPolarHBondContact O-CB 3.34Å; H66-Q69 PolarHBondContact O-N 2.81Å; H66-Q69 VanDerWaalsContact O-N 3.15Å
70	M	81.2	Confident	82.1	Confident	28 Å²	28	64.8 Å²	64.8	14%	0.138	32%	0.317	C	S	.	.	H	α-helix	trans	-83.9	-17.8	-175.7	-70.4	-60.7	-68.8	0	0	114	H66 E72 F73 E74 K98	H66-M70 VanDerWaalsContact CE1-CG 3.48Å; H66-M70 WeakPolarHBondContact CE1-CG 3.33Å; H66-M70 WeakPolarHBondContact O-CG 3.28Å; H66-M70 PolarHBondContact O-N 3.39Å; M70-E72 PolarHBondContact O-N 3.46Å; M70-F73 HydrophobicContact CE-CD1 3.44Å; M70-F73 VanDerWaalsContact CE-CD1 3.44Å; M70-F73 HydrophobicContact CE-CE1 3.78Å; M70-F73 HydrophobicContact CE-CG 4.44Å; M70-F73 WeakPolarHBondContact O-CB 3.32Å; M70-F73 PolarHBondContact O-N 3.35Å; M70-F73 VanDerWaalsContact O-N 3.13Å; M70-E74 WeakPolarHBondContact O-CG 3.47Å; M70-E74 PolarHBondContact O-N 2.97Å; M70-K98 HydrophobicContact SD-CD 4.32Å; M70-K98 PolarHBondContact SD-NZ 2.85Å
71	R	83.6	Confident	83.2	Confident	6 Å²	6	61.2 Å²	61.2	2%	0.023	30%	0.297	C	S	.	.	H	α-helix	trans	-48.1	-54.8	-176.2	-174.1	-178.2	-57	165.5	1.9	114.9	D67 F73 E74 M75 A177 R178 Y190	D67-R71 WeakPolarHBondContact O-CB 3.32Å; D67-R71 PolarHBondContact O-N 2.91Å; D67-R71 VanDerWaalsContact O-N 3.11Å; D67-R71 IonicContact OD2-NH2 3.94Å; R71-F73 VanDerWaalsContact C-N 3.26Å; R71-F73 PolarHBondContact O-N 2.96Å; R71-E74 PolarHBondContact O-N 3.4Å; R71-M75 VanDerWaalsContact O-CG 3.24Å; R71-M75 WeakPolarHBondContact O-CG 3.49Å; R71-M75 PolarHBondContact O-N 2.95Å; R71-A177 WeakPolarHBondContact CD-O 3.48Å; R71-R178 VanDerWaalsContact NE-CZ 3.25Å; R71-R178 VanDerWaalsContact NH2-NH1 3.16Å; R71-Y190 PolarHBondContact NH1-OH 3.31Å
72	E	86.7	Confident	84.2	Confident	6 Å²	6	63.8 Å²	63.8	3%	0.028	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-38.6	-176.2	-173.3	170.7	-176.3	0	0	111.6	K55 M70 L76 L100 F174	K55-E72 IonicContact NZ-OE1 2.84Å; K55-E72 PolarHBondContact NZ-OE1 2.89Å; K55-E72 IonicContact NZ-OE2 3.24Å; K55-E72 PolarHBondContact NZ-OE2 3.01Å; M70-E72 PolarHBondContact O-N 3.46Å; E72-L76 HydrophobicContact CG-CD1 4.04Å; E72-L76 WeakPolarHBondContact O-CB 3.46Å; E72-L76 WeakPolarHBondContact O-CG 3.4Å; E72-L76 PolarHBondContact O-N 2.85Å; E72-L100 HydrophobicContact CB-CD1 4.45Å; E72-L100 HydrophobicContact CG-CD1 3.89Å; E72-F174 HydrophobicContact CG-CB 4.11Å
73	F	86.8	Confident	85.4	Confident	41 Å²	41	60.8 Å²	60.8	18%	0.18	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-47.7	174.9	162.9	-108.9	0	0	0	111.7	M70 R71 M75 L76 R77 L87 V90 L100	M70-F73 HydrophobicContact CE-CD1 3.44Å; M70-F73 VanDerWaalsContact CE-CD1 3.44Å; M70-F73 HydrophobicContact CE-CE1 3.78Å; M70-F73 HydrophobicContact CE-CG 4.44Å; M70-F73 WeakPolarHBondContact O-CB 3.32Å; M70-F73 PolarHBondContact O-N 3.35Å; M70-F73 VanDerWaalsContact O-N 3.13Å; R71-F73 VanDerWaalsContact C-N 3.26Å; R71-F73 PolarHBondContact O-N 2.96Å; F73-M75 VanDerWaalsContact C-N 3.32Å; F73-M75 PolarHBondContact O-N 3.44Å; F73-L76 PolarHBondContact O-N 3.23Å; F73-R77 WeakPolarHBondContact O-CB 3.37Å; F73-R77 PolarHBondContact O-N 3.44Å; F73-L87 HydrophobicContact CD2-CD2 3.85Å; F73-L87 HydrophobicContact CE2-CD2 4.19Å; F73-V90 HydrophobicContact CD2-CB 4.32Å; F73-V90 HydrophobicContact CD2-CG2 3.16Å; F73-V90 HydrophobicContact CE2-CB 4.17Å; F73-V90 HydrophobicContact CE2-CG2 3.34Å; F73-V90 HydrophobicContact CG-CG2 4.12Å; F73-V90 HydrophobicContact CZ-CG2 4.43Å; F73-L100 HydrophobicContact CB-CD2 4.19Å
74	E	88.5	Confident	86.6	Confident	87 Å²	87	56.3 Å²	56.3	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-40.6	-179.1	-71.5	176.5	171.9	0	0	111.8	M70 R71 R77 K78	M70-E74 WeakPolarHBondContact O-CG 3.47Å; M70-E74 PolarHBondContact O-N 2.97Å; R71-E74 PolarHBondContact O-N 3.4Å; E74-R77 PolarHBondContact O-N 3.22Å; E74-K78 WeakPolarHBondContact O-CG 3.31Å; E74-K78 PolarHBondContact O-N 3.49Å
75	M	89.8	Confident	87.7	Confident	10 Å²	10	52.4 Å²	52.4	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-54.2	174.9	-66.5	-66.4	164.2	0	0	111.1	R71 F73 R77 K78 L79 V147 F174 A177 E179	R71-M75 VanDerWaalsContact O-CG 3.24Å; R71-M75 WeakPolarHBondContact O-CG 3.49Å; R71-M75 PolarHBondContact O-N 2.95Å; F73-M75 VanDerWaalsContact C-N 3.32Å; F73-M75 PolarHBondContact O-N 3.44Å; M75-R77 PolarHBondContact O-N 2.89Å; M75-K78 PolarHBondContact O-N 3.45Å; M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.35Å; M75-L79 PolarHBondContact O-N 3.01Å; M75-V147 HydrophobicContact SD-CG1 4.13Å; M75-V147 HydrophobicContact SD-CG2 4.02Å; M75-F174 HydrophobicContact CB-CB 3.97Å; M75-F174 HydrophobicContact CB-CG 4.43Å; M75-A177 HydrophobicContact CG-CB 4.15Å; M75-A177 HydrophobicContact SD-CB 4.46Å; M75-E179 HydrophobicContact CE-CG 4.18Å
76	L	89.9	Confident	88.5	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-22.8	-179.3	-76.6	173.9	0	0	0	113.6	E72 F73 I84 L87 L100 M102 F174	E72-L76 HydrophobicContact CG-CD1 4.04Å; E72-L76 WeakPolarHBondContact O-CB 3.46Å; E72-L76 WeakPolarHBondContact O-CG 3.4Å; E72-L76 PolarHBondContact O-N 2.85Å; F73-L76 PolarHBondContact O-N 3.23Å; L76-I84 HydrophobicContact CD2-CG2 4.42Å; L76-L87 HydrophobicContact CB-CB 3.93Å; L76-L87 HydrophobicContact CB-CD2 3.98Å; L76-L87 HydrophobicContact CB-CG 4.46Å; L76-L87 HydrophobicContact CD1-CD1 4.5Å; L76-L100 HydrophobicContact CD1-CD1 4.18Å; L76-M102 HydrophobicContact CD1-SD 4.19Å; L76-F174 HydrophobicContact CD2-CD2 3.41Å; L76-F174 VanDerWaalsContact CD2-CD2 3.41Å; L76-F174 HydrophobicContact CD2-CE2 3.64Å; L76-F174 HydrophobicContact CD2-CG 4.37Å; L76-F174 HydrophobicContact CG-CD2 3.88Å
77	R	90.1	Very high	89.3	Confident	183 Å²	183	50.9 Å²	50.9	69%	0.691	24%	0.239	S	C	*	.	H	α-helix	trans	-75.4	-30.1	173.1	-163.8	177.6	81.1	169.5	3.2	112.4	F73 E74 M75	F73-R77 WeakPolarHBondContact O-CB 3.37Å; F73-R77 PolarHBondContact O-N 3.44Å; E74-R77 PolarHBondContact O-N 3.22Å; M75-R77 PolarHBondContact O-N 2.89Å
78	K	89.8	Confident	90.2	Very high	98 Å²	98	50.6 Å²	50.6	43%	0.426	23%	0.234	S	C	.	.	H	α-helix	trans	-81.2	-34	178.3	-72.1	173.3	176.5	178.8	0	112.2	E74 M75 Y145 E179	E74-K78 WeakPolarHBondContact O-CG 3.31Å; E74-K78 PolarHBondContact O-N 3.49Å; M75-K78 PolarHBondContact O-N 3.45Å; K78-Y145 WeakPolarHBondContact O-CE1 3.41Å; K78-E179 IonicContact NZ-OE1 2.81Å; K78-E179 PolarHBondContact NZ-OE1 3.05Å
79	L	93.6	Very high	91	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	24%	0.237	C	C	.	.			trans	-90.3	129.2	-174.2	-58.4	171.5	0	0	0	111.6	M75 I84 L142 Y145 V147 F174	M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.35Å; M75-L79 PolarHBondContact O-N 3.01Å; L79-I84 HydrophobicContact CB-CG2 4.19Å; L79-L142 HydrophobicContact CD1-CD2 3.51Å; L79-L142 HydrophobicContact CD2-CD2 3.85Å; L79-L142 HydrophobicContact CG-CD2 4.31Å; L79-Y145 HydrophobicContact CD2-CD2 4.39Å; L79-Y145 HydrophobicContact CD2-CG 4.09Å; L79-V147 HydrophobicContact CD2-CG2 4.44Å; L79-F174 HydrophobicContact CD1-CD1 3.91Å; L79-F174 HydrophobicContact CD1-CE1 3.56Å; L79-F174 HydrophobicContact CD1-CZ 3.95Å
80	N	92.9	Very high	91.8	Very high	118 Å²	118	50.2 Å²	50.2	63%	0.631	24%	0.238	S	C	*	.			trans	-146.1	102.9	174.5	-179	28.3	0	0	0	110.3	H141	N80-H141 PolarHBondContact N-NE2 3.41Å; N80-H141 PolarHBondContact O-CE1 3.31Å
81	H	97.1	Very high	92.4	Very high	60 Å²	60	49.9 Å²	49.9	28%	0.278	24%	0.236	S	C	.	.			trans	-156.7	155.6	-175.9	-172.8	-97.2	0	0	0	111	N83 I84 H141	H81-N83 PolarHBondContact CE1-OD1 3.29Å; H81-N83 PolarHBondContact ND1-N 3.14Å; H81-N83 VanDerWaalsContact ND1-N 3.14Å; H81-N83 PolarHBondContact ND1-OD1 2.88Å; H81-N83 PolarHBondContact O-N 3.44Å; H81-N83 VanDerWaalsContact O-N 3.16Å; H81-I84 HydrophobicContact CB-CB 4.47Å; H81-I84 HydrophobicContact CB-CG1 3.93Å; H81-I84 PolarHBondContact O-N 3.04Å; H81-I84 VanDerWaalsContact O-N 3.13Å; H81-H141 HydrophobicContact CB-CB 4.16Å; H81-H141 AromaticContact CD2-ND1 3.75Å; H81-H141 AromaticContact CG-CG 3.81Å; H81-H141 AromaticContact CG-ND1 3.86Å
82	S	96.5	Very high	92.8	Very high	63 Å²	63	54 Å²	54	44%	0.441	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.9	-179.6	46.9	0	0	0	0	113.5	K170	S82-K170 VanDerWaalsContact O-CE 3.25Å; S82-K170 WeakPolarHBondContact O-CE 3.37Å; S82-K170 WeakPolarHBondContact O-CG 3.2Å; S82-K170 PolarHBondContact O-NZ 3.07Å
83	N	98.1	Very high	92.9	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.011	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	19.2	-177.7	-54.3	96.1	0	0	0	113.9	H81 C134 Q137 Y169 K170 L171	H81-N83 PolarHBondContact CE1-OD1 3.29Å; H81-N83 PolarHBondContact ND1-N 3.14Å; H81-N83 VanDerWaalsContact ND1-N 3.14Å; H81-N83 PolarHBondContact ND1-OD1 2.88Å; H81-N83 PolarHBondContact O-N 3.44Å; H81-N83 VanDerWaalsContact O-N 3.16Å; N83-C134 WeakPolarHBondContact CB-O 3.43Å; N83-C134 WeakPolarHBondContact ND2-CA 3.42Å; N83-C134 WeakPolarHBondContact ND2-CB 3.46Å; N83-C134 PolarHBondContact ND2-SG 3.35Å; N83-Q137 PolarHBondContact OD1-OE1 3.48Å; N83-Q137 VanDerWaalsContact OD1-OE1 3.13Å; N83-Y169 WeakPolarHBondContact CA-O 3.48Å; N83-Y169 WeakPolarHBondContact CB-O 3.44Å; N83-Y169 PolarHBondContact ND2-O 3.46Å; N83-K170 CarbonylContact O-C 3.58Å; N83-K170 VanDerWaalsContact O-CA 3.32Å; N83-K170 WeakPolarHBondContact O-CA 3.33Å; N83-L171 PolarHBondContact O-N 3.4Å
84	I	97.9	Very high	92.7	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.015	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-123.1	135.8	169.8	-53.9	-65.9	0	0	0	107	L76 L79 H81 R86 L142 L171 F174	L76-I84 HydrophobicContact CD2-CG2 4.42Å; L79-I84 HydrophobicContact CB-CG2 4.19Å; H81-I84 HydrophobicContact CB-CB 4.47Å; H81-I84 HydrophobicContact CB-CG1 3.93Å; H81-I84 PolarHBondContact O-N 3.04Å; H81-I84 VanDerWaalsContact O-N 3.13Å; I84-R86 PolarHBondContact O-N 3.19Å; I84-L142 HydrophobicContact CD1-CD2 3.93Å; I84-L142 HydrophobicContact CD1-CG 4.35Å; I84-L171 HydrophobicContact CD1-CB 4.01Å; I84-L171 HydrophobicContact CD1-CD1 4.1Å; I84-L171 HydrophobicContact CD1-CG 4.39Å; I84-F174 HydrophobicContact CD1-CZ 4.02Å; I84-F174 HydrophobicContact CG2-CE2 3.82Å; I84-F174 HydrophobicContact CG2-CZ 3.78Å
85	V	97	Very high	92.5	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.03	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-62.8	124	175.7	168.3	0	0	0	0	109.1	M102 E103 M158 K170 L171	V85-M102 HydrophobicContact CG1-CB 4.01Å; V85-E103 HydrophobicContact CG1-CB 4.24Å; V85-M158 HydrophobicContact CG2-CB 4.09Å; V85-M158 HydrophobicContact CG2-CG 3.83Å; V85-K170 HydrophobicContact CG2-CB 3.76Å; V85-K170 HydrophobicContact CG2-CD 4.44Å; V85-L171 PolarHBondContact N-O 2.75Å
86	R	95.4	Very high	92.1	Very high	145 Å²	145	70 Å²	70	55%	0.547	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-73.5	132.6	-176.6	-175.2	172.7	178.2	178.8	2.8	111.2	I84 F88 M102 E103	I84-R86 PolarHBondContact O-N 3.19Å; R86-F88 HydrophobicContact CG-CD1 4.19Å; R86-F88 HydrophobicContact CG-CE1 4.14Å; R86-M102 CarbonylContact O-C 3.59Å; R86-M102 VanDerWaalsContact O-CA 3.28Å; R86-M102 WeakPolarHBondContact O-CA 3.34Å; R86-E103 HydrophobicContact CB-CB 4.15Å; R86-E103 PolarHBondContact N-OE2 3.45Å; R86-E103 PolarHBondContact O-N 2.93Å
87	L	95.3	Very high	91.9	Very high	31 Å²	31	71.8 Å²	71.8	16%	0.162	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.3	164.7	-179.6	73.6	0	0	0	109.3	F73 L76 V90 L100 V101 M102	F73-L87 HydrophobicContact CD2-CD2 3.85Å; F73-L87 HydrophobicContact CE2-CD2 4.19Å; L76-L87 HydrophobicContact CB-CB 3.93Å; L76-L87 HydrophobicContact CB-CD2 3.98Å; L76-L87 HydrophobicContact CB-CG 4.46Å; L76-L87 HydrophobicContact CD1-CD1 4.5Å; L87-V90 HydrophobicContact CD1-CG2 4.47Å; L87-V90 HydrophobicContact CD2-CG2 4.33Å; L87-L100 HydrophobicContact CD1-CB 3.93Å; L87-L100 HydrophobicContact CD1-CD2 4.29Å; L87-V101 WeakPolarHBondContact CD1-O 3.3Å; L87-M102 HydrophobicContact CD1-CG 4.07Å
88	F	94.1	Very high	91.7	Very high	74 Å²	74	66.6 Å²	66.6	33%	0.325	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-46.8	175.6	-66.4	-43.8	0	0	0	112.1	V52 R86 V101 E103	V52-F88 HydrophobicContact CG1-CD2 3.95Å; V52-F88 HydrophobicContact CG1-CE2 3.95Å; R86-F88 HydrophobicContact CG-CD1 4.19Å; R86-F88 HydrophobicContact CG-CE1 4.14Å; F88-V101 HydrophobicContact CB-CG1 4.39Å; F88-V101 PolarHBondContact N-O 2.93Å; F88-E103 HydrophobicContact CE2-CB 4.3Å; F88-E103 HydrophobicContact CZ-CB 4.17Å
89	A	92.4	Very high	91.8	Very high	27 Å²	27	62 Å²	62	22%	0.223	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	162.2	-176.4	0	0	0	0	0	111.7	E91 V101	A89-E91 HydrophobicContact CB-CG 4.4Å; A89-V101 HydrophobicContact CB-CB 4.26Å; A89-V101 HydrophobicContact CB-CG2 4.41Å; A89-V101 PolarHBondContact N-O 3.44Å; A89-V101 PolarHBondContact O-N 3.48Å
90	V	91.9	Very high	91.8	Very high	51 Å²	51	61.6 Å²	61.6	31%	0.309	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.9	160.8	176.9	0	0	0	0	107.8	F73 L87 K98 V99 L100	F73-V90 HydrophobicContact CD2-CB 4.32Å; F73-V90 HydrophobicContact CD2-CG2 3.16Å; F73-V90 HydrophobicContact CE2-CB 4.17Å; F73-V90 HydrophobicContact CE2-CG2 3.34Å; F73-V90 HydrophobicContact CG-CG2 4.12Å; F73-V90 HydrophobicContact CZ-CG2 4.43Å; L87-V90 HydrophobicContact CD1-CG2 4.47Å; L87-V90 HydrophobicContact CD2-CG2 4.33Å; V90-K98 HydrophobicContact CG1-CB 4.23Å; V90-K98 HydrophobicContact CG1-CD 4.31Å; V90-K98 HydrophobicContact CG1-CG 4.41Å; V90-V99 WeakPolarHBondContact CA-O 3.46Å; V90-L100 HydrophobicContact CG2-CD2 3.6Å
91	E	93.1	Very high	92	Very high	21 Å²	21	56 Å²	56	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	170.5	178.9	-64	-157.5	171.9	0	0	110.7	T21 A22 N23 Y24 A89 K98 V99 V101	T21-E91 WeakPolarHBondContact CB-OE2 3.33Å; T21-E91 HydrophobicContact CG2-CB 3.95Å; T21-E91 PolarHBondContact OG1-OE2 3.46Å; A22-E91 PolarHBondContact N-OE2 2.88Å; N23-E91 WeakPolarHBondContact CB-OE1 3.46Å; N23-E91 PolarHBondContact N-OE2 3.28Å; N23-E91 VanDerWaalsContact N-OE2 3.09Å; N23-E91 PolarHBondContact ND2-OE1 3.48Å; Y24-E91 HydrophobicContact CD2-CG 4.48Å; Y24-E91 WeakPolarHBondContact CD2-OE2 3.33Å; Y24-E91 HydrophobicContact CE2-CG 4.47Å; Y24-E91 VanDerWaalsContact CE2-OE1 3.29Å; Y24-E91 WeakPolarHBondContact CE2-OE1 3.39Å; A89-E91 HydrophobicContact CB-CG 4.4Å; E91-K98 CarbonylContact O-C 3.59Å; E91-K98 WeakPolarHBondContact O-CA 3.29Å; E91-V99 HydrophobicContact CB-CG2 4.19Å; E91-V99 PolarHBondContact N-O 3.39Å; E91-V99 VanDerWaalsContact N-O 3.14Å; E91-V99 PolarHBondContact O-N 2.76Å; E91-V101 HydrophobicContact CG-CG2 4.39Å
92	E	91	Very high	91.9	Very high	93 Å²	93	53.5 Å²	53.5	44%	0.435	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.4	176.3	-65.9	-178.8	179.7	0	0	110.4	Q97 K98	E92-Q97 CarbonylContact C-O 3.52Å; E92-Q97 WeakPolarHBondContact CA-O 3.22Å; E92-K98 HydrophobicContact CG-CG 4.39Å
93	L	88.9	Confident	91.9	Very high	28 Å²	28	52.4 Å²	52.4	15%	0.147	25%	0.251	C	S	.	.			trans	-69.2	165.9	161.9	-67.2	177.3	0	0	0	110.2	S20 T21 W26 V56 T95 K96 Q97 V99	S20-L93 WeakPolarHBondContact O-CD2 3.21Å; T21-L93 HydrophobicContact CG2-CD2 4.1Å; W26-L93 HydrophobicContact CH2-CD2 3.54Å; W26-L93 HydrophobicContact CZ2-CD2 3.85Å; V56-L93 HydrophobicContact CG1-CD1 3.96Å; L93-T95 WeakPolarHBondContact CB-OG1 3.44Å; L93-T95 PolarHBondContact O-N 3.34Å; L93-T95 VanDerWaalsContact O-N 3.1Å; L93-K96 PolarHBondContact O-N 2.95Å; L93-Q97 HydrophobicContact CB-CB 4.31Å; L93-Q97 HydrophobicContact CD1-CB 4.08Å; L93-Q97 PolarHBondContact N-O 3.27Å; L93-V99 HydrophobicContact CD1-CG1 4.09Å; L93-V99 HydrophobicContact CD2-CG1 4.25Å; L93-V99 HydrophobicContact CG-CG1 3.8Å
94	Q	84.3	Confident	91.8	Very high	196 Å²	196	54.5 Å²	54.5	92%	0.916	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.8	170.3	-66.8	-179	-9.5	0	0	112.6	K96	Q94-K96 PolarHBondContact O-N 3.49Å
95	T	83.3	Confident	91.8	Very high	92 Å²	92	54.7 Å²	54.7	56%	0.564	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	8	175.6	55.4	0	0	0	0	114	L93 Q97	L93-T95 WeakPolarHBondContact CB-OG1 3.44Å; L93-T95 PolarHBondContact O-N 3.34Å; L93-T95 VanDerWaalsContact O-N 3.1Å; T95-Q97 PolarHBondContact O-N 2.94Å; T95-Q97 PolarHBondContact OG1-OE1 3.21Å; T95-Q97 VanDerWaalsContact OG1-OE1 3.11Å
96	K	82.4	Confident	91.7	Very high	162 Å²	162	57.3 Å²	57.3	70%	0.704	28%	0.279	S	S	*	.	S	Bend	trans	64.2	9.5	-174.3	-62.2	-89	-179.2	176.5	0	114.5	L93 Q94	L93-K96 PolarHBondContact O-N 2.95Å; Q94-K96 PolarHBondContact O-N 3.49Å
97	Q	83.9	Confident	91.6	Very high	44 Å²	44	51.5 Å²	51.5	21%	0.206	26%	0.264	C	S	.	.			trans	-77.6	127.6	177.2	-76.3	-178.7	-35.1	0	0	110.3	Y62 E92 L93 T95	Y62-Q97 HydrophobicContact CD2-CG 4.38Å; Y62-Q97 HydrophobicContact CE1-CB 4.47Å; Y62-Q97 HydrophobicContact CE1-CG 4.27Å; Y62-Q97 HydrophobicContact CE2-CB 4.1Å; Y62-Q97 HydrophobicContact CE2-CG 3.67Å; Y62-Q97 WeakPolarHBondContact OH-CA 3.47Å; Y62-Q97 WeakPolarHBondContact OH-CB 3.26Å; E92-Q97 CarbonylContact C-O 3.52Å; E92-Q97 WeakPolarHBondContact CA-O 3.22Å; L93-Q97 HydrophobicContact CB-CB 4.31Å; L93-Q97 HydrophobicContact CD1-CB 4.08Å; L93-Q97 PolarHBondContact N-O 3.27Å; T95-Q97 PolarHBondContact O-N 2.94Å; T95-Q97 PolarHBondContact OG1-OE1 3.21Å; T95-Q97 VanDerWaalsContact OG1-OE1 3.11Å
98	K	86.4	Confident	91.6	Very high	75 Å²	75	51 Å²	51	33%	0.326	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	143.8	176.4	-66.7	-175.8	-177.7	178.2	0	110.8	F57 Y62 M70 V90 E91 E92	F57-K98 WeakPolarHBondContact CD2-O 3.43Å; Y62-K98 PolarHBondContact OH-N 3.34Å; Y62-K98 PolarHBondContact OH-O 3.47Å; M70-K98 HydrophobicContact SD-CD 4.32Å; M70-K98 PolarHBondContact SD-NZ 2.85Å; V90-K98 HydrophobicContact CG1-CB 4.23Å; V90-K98 HydrophobicContact CG1-CD 4.31Å; V90-K98 HydrophobicContact CG1-CG 4.41Å; E91-K98 CarbonylContact O-C 3.59Å; E91-K98 WeakPolarHBondContact O-CA 3.29Å; E92-K98 HydrophobicContact CG-CG 4.39Å
99	V	91.9	Very high	91.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.6	173	-56.8	0	0	0	0	109.8	T21 V54 K55 V56 V90 E91 L93	T21-V99 HydrophobicContact CG2-CG2 3.56Å; V54-V99 HydrophobicContact CG1-CB 3.97Å; V54-V99 HydrophobicContact CG1-CG2 4.02Å; K55-V99 WeakPolarHBondContact O-CA 3.48Å; K55-V99 WeakPolarHBondContact O-CB 3.48Å; V56-V99 HydrophobicContact CB-CG1 4.37Å; V56-V99 HydrophobicContact CG1-CG1 4.28Å; V56-V99 HydrophobicContact CG2-CG1 4.01Å; V90-V99 WeakPolarHBondContact CA-O 3.46Å; E91-V99 HydrophobicContact CB-CG2 4.19Å; E91-V99 PolarHBondContact N-O 3.39Å; E91-V99 VanDerWaalsContact N-O 3.14Å; E91-V99 PolarHBondContact O-N 2.76Å; L93-V99 HydrophobicContact CD1-CG1 4.09Å; L93-V99 HydrophobicContact CD2-CG1 4.25Å; L93-V99 HydrophobicContact CG-CG1 3.8Å
100	L	94.2	Very high	92	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.6	173.6	-51.4	-177	0	0	0	108.9	V54 K55 F57 E72 F73 L76 L87 V90 M102	V54-L100 CarbonylContact C-O 3.47Å; V54-L100 WeakPolarHBondContact CA-O 3.39Å; K55-L100 HydrophobicContact CB-CB 4.17Å; K55-L100 HydrophobicContact CD-CD1 4.33Å; K55-L100 PolarHBondContact N-O 2.92Å; K55-L100 PolarHBondContact O-N 3.29Å; F57-L100 HydrophobicContact CE2-CD1 4.35Å; F57-L100 HydrophobicContact CE2-CD2 4.38Å; F57-L100 HydrophobicContact CE2-CG 3.9Å; F57-L100 HydrophobicContact CZ-CD1 3.89Å; F57-L100 HydrophobicContact CZ-CG 3.97Å; E72-L100 HydrophobicContact CB-CD1 4.45Å; E72-L100 HydrophobicContact CG-CD1 3.89Å; F73-L100 HydrophobicContact CB-CD2 4.19Å; L76-L100 HydrophobicContact CD1-CD1 4.18Å; L87-L100 HydrophobicContact CD1-CB 3.93Å; L87-L100 HydrophobicContact CD1-CD2 4.29Å; V90-L100 HydrophobicContact CG2-CD2 3.6Å; L100-M102 HydrophobicContact CB-CG 4.16Å; L100-M102 HydrophobicContact CB-SD 4.29Å
101	V	96.1	Very high	92.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118	172.2	-171.5	0	0	0	0	108.2	Y24 V52 V54 L87 F88 A89 E91	Y24-V101 HydrophobicContact CD1-CG1 4Å; Y24-V101 HydrophobicContact CD2-CG1 4.2Å; Y24-V101 HydrophobicContact CD2-CG2 3.8Å; Y24-V101 HydrophobicContact CE1-CG1 3.65Å; Y24-V101 HydrophobicContact CE2-CB 4.3Å; Y24-V101 HydrophobicContact CE2-CG1 3.89Å; Y24-V101 HydrophobicContact CE2-CG2 3.85Å; Y24-V101 HydrophobicContact CG-CG1 4.26Å; Y24-V101 HydrophobicContact CG-CG2 4.36Å; V52-V101 HydrophobicContact CB-CG1 4.04Å; V52-V101 HydrophobicContact CG1-CG1 4.42Å; V52-V101 HydrophobicContact CG2-CG1 3.77Å; V54-V101 HydrophobicContact CG2-CG1 4.42Å; V54-V101 HydrophobicContact CG2-CG2 4.37Å; L87-V101 WeakPolarHBondContact CD1-O 3.3Å; F88-V101 HydrophobicContact CB-CG1 4.39Å; F88-V101 PolarHBondContact N-O 2.93Å; A89-V101 HydrophobicContact CB-CB 4.26Å; A89-V101 HydrophobicContact CB-CG2 4.41Å; A89-V101 PolarHBondContact N-O 3.44Å; A89-V101 PolarHBondContact O-N 3.48Å; E91-V101 HydrophobicContact CG-CG2 4.39Å
102	M	96.4	Very high	92.3	Very high	8 Å²	8	50 Å²	50	4%	0.039	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	164.4	-169.1	-56.8	178.9	-59.1	0	0	111.5	V52 A53 K55 L76 V85 R86 L87 L100 Y104	V52-M102 WeakPolarHBondContact CB-O 3.37Å; A53-M102 HydrophobicContact CB-CB 4.48Å; A53-M102 PolarHBondContact N-O 2.86Å; A53-M102 PolarHBondContact O-N 3.48Å; K55-M102 HydrophobicContact CB-CE 3.84Å; L76-M102 HydrophobicContact CD1-SD 4.19Å; V85-M102 HydrophobicContact CG1-CB 4.01Å; R86-M102 CarbonylContact O-C 3.59Å; R86-M102 VanDerWaalsContact O-CA 3.28Å; R86-M102 WeakPolarHBondContact O-CA 3.34Å; L87-M102 HydrophobicContact CD1-CG 4.07Å; L100-M102 HydrophobicContact CB-CG 4.16Å; L100-M102 HydrophobicContact CB-SD 4.29Å; M102-Y104 PolarHBondContact O-N 3.49Å
103	E	95.9	Very high	92.5	Very high	39 Å²	39	47.1 Å²	47.1	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	130.1	169.5	-179.4	-179.5	-169.4	0	0	111.2	V85 R86 F88 K170	V85-E103 HydrophobicContact CG1-CB 4.24Å; R86-E103 HydrophobicContact CB-CB 4.15Å; R86-E103 PolarHBondContact N-OE2 3.45Å; R86-E103 PolarHBondContact O-N 2.93Å; F88-E103 HydrophobicContact CE2-CB 4.3Å; F88-E103 HydrophobicContact CZ-CB 4.17Å; E103-K170 VanDerWaalsContact CD-NZ 3.29Å; E103-K170 WeakPolarHBondContact OE1-CE 3.49Å; E103-K170 IonicContact OE1-NZ 3.38Å; E103-K170 PolarHBondContact OE1-NZ 3.4Å; E103-K170 WeakPolarHBondContact OE2-CE 3.42Å; E103-K170 IonicContact OE2-NZ 2.94Å; E103-K170 PolarHBondContact OE2-NZ 3.48Å
104	Y	96.9	Very high	92.9	Very high	47 Å²	47	46.3 Å²	46.3	18%	0.184	24%	0.243	C	C	.	.			trans	-87.3	114.2	172.5	172.6	-117.3	0	0	0	110.3	L32 K42 L51 M102 Q160	L32-Y104 HydrophobicContact CD1-CD2 3.74Å; L32-Y104 HydrophobicContact CD1-CE2 3.78Å; L32-Y104 HydrophobicContact CD2-CE2 3.85Å; L32-Y104 HydrophobicContact CG-CE2 4.49Å; K42-Y104 HydrophobicContact CD-CE1 4.47Å; K42-Y104 HydrophobicContact CD-CE2 4.17Å; K42-Y104 HydrophobicContact CG-CD2 4.45Å; K42-Y104 HydrophobicContact CG-CE2 4.15Å; K42-Y104 PolarHBondContact NZ-OH 3.11Å; K42-Y104 VanDerWaalsContact NZ-OH 3.09Å; L51-Y104 HydrophobicContact CB-CD1 3.77Å; L51-Y104 HydrophobicContact CB-CE1 4.43Å; L51-Y104 HydrophobicContact CB-CG 4.38Å; L51-Y104 HydrophobicContact CD1-CD1 4.17Å; L51-Y104 HydrophobicContact CD1-CE1 4.03Å; M102-Y104 PolarHBondContact O-N 3.49Å; Y104-Q160 PolarHBondContact O-OE1 3.41Å
105	C	96.9	Very high	93.3	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.041	22%	0.222	C	C	.	.			trans	-87.1	111.4	175.5	-65.7	0	0	0	0	110.9	G107 G108 M158 Q160	C105-G107 VanDerWaalsContact C-N 3.3Å; C105-G107 PolarHBondContact O-N 3.45Å; C105-G108 PolarHBondContact O-N 3.43Å; C105-M158 HydrophobicContact CB-CB 3.71Å; C105-M158 HydrophobicContact CB-CE 4.12Å; C105-M158 VanDerWaalsContact SG-CB 3.52Å; C105-Q160 VanDerWaalsContact CA-OE1 3.29Å
106	S	94.3	Very high	93.8	Very high	60 Å²	60	40.8 Å²	40.8	42%	0.42	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.3	-171.6	59.2	0	0	0	0	114.6	G108 Q160	S106-G108 VanDerWaalsContact C-N 3.34Å; S106-Q160 VanDerWaalsContact N-OE1 3.09Å
107	G	94.9	Very high	94.3	Very high	23 Å²	23	34.4 Å²	34.4	24%	0.237	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	5.5	-177.1	0	0	0	0	0	115.1	C105 R159	C105-G107 VanDerWaalsContact C-N 3.3Å; C105-G107 PolarHBondContact O-N 3.45Å; G107-R159 CarbonylContact C-O 3.54Å; G107-R159 WeakPolarHBondContact CA-O 3.3Å; G107-R159 PolarHBondContact N-O 3.42Å
108	G	95.3	Very high	94.8	Very high	21 Å²	21	36.2 Å²	36.2	22%	0.216	20%	0.197	C	C	.	.			trans	71.8	-155.8	-176.3	0	0	0	0	0	112.7	C105 S106 R159	C105-G108 PolarHBondContact O-N 3.43Å; S106-G108 VanDerWaalsContact C-N 3.34Å; G108-R159 PolarHBondContact O-N 2.92Å
109	S	96.5	Very high	95.3	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.063	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-94	161.2	173.8	69.1	0	0	0	0	111.8	L111 N112 L113 I157	S109-L111 PolarHBondContact O-N 3.22Å; S109-L111 PolarHBondContact OG-N 2.98Å; S109-N112 PolarHBondContact N-OD1 3.15Å; S109-N112 WeakPolarHBondContact O-CB 3.43Å; S109-N112 PolarHBondContact O-N 2.63Å; S109-N112 VanDerWaalsContact OG-CG 3.31Å; S109-N112 PolarHBondContact OG-N 3.31Å; S109-N112 PolarHBondContact OG-OD1 2.91Å; S109-L113 PolarHBondContact O-N 2.76Å; S109-I157 CarbonylContact C-O 3.49Å; S109-I157 WeakPolarHBondContact CA-O 3.01Å
110	L	98	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.2	-32.7	169.2	176.7	61.1	0	0	0	111	N112 L113 L114 L123 V131 P154 I157 Y169 T226	L110-N112 VanDerWaalsContact C-N 3.33Å; L110-N112 PolarHBondContact O-N 2.85Å; L110-L113 HydrophobicContact CD1-CD2 4.26Å; L110-L113 WeakPolarHBondContact O-CB 3.42Å; L110-L113 PolarHBondContact O-N 3.21Å; L110-L114 HydrophobicContact CD1-CG 4.37Å; L110-L114 HydrophobicContact CG-CD1 4.25Å; L110-L114 HydrophobicContact CG-CG 4.49Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.94Å; L110-L123 HydrophobicContact CD1-CD1 4.02Å; L110-V131 HydrophobicContact CD1-CG2 3.98Å; L110-V131 HydrophobicContact CD2-CG1 3.93Å; L110-P154 HydrophobicContact CB-CB 4.22Å; L110-P154 WeakPolarHBondContact CB-O 3.33Å; L110-P154 HydrophobicContact CD2-CB 4.32Å; L110-P154 HydrophobicContact CG-CB 4.08Å; L110-P154 PolarHBondContact N-O 3.21Å; L110-I157 HydrophobicContact CB-CB 4.03Å; L110-I157 HydrophobicContact CB-CG2 4.14Å; L110-I157 HydrophobicContact CD2-CB 4.33Å; L110-I157 HydrophobicContact CD2-CD1 3.96Å; L110-I157 HydrophobicContact CD2-CG2 4.24Å; L110-I157 PolarHBondContact N-O 3.38Å; L110-Y169 HydrophobicContact CB-CE1 4.28Å; L110-Y169 HydrophobicContact CD1-CE1 3.96Å; L110-T226 HydrophobicContact CD2-CG2 4.31Å
111	L	95.8	Very high	95.5	Very high	57 Å²	57	36.5 Å²	36.5	30%	0.298	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-43.1	172.4	-176.6	61.8	0	0	0	111.8	S109 L113 L114 E115 P154	S109-L111 PolarHBondContact O-N 3.22Å; S109-L111 PolarHBondContact OG-N 2.98Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 2.92Å; L111-L114 PolarHBondContact O-N 2.86Å; L111-E115 HydrophobicContact CD1-CG 4.43Å; L111-E115 HydrophobicContact CG-CG 4.46Å; L111-E115 WeakPolarHBondContact O-CG 3.08Å; L111-E115 PolarHBondContact O-N 2.72Å; L111-P154 HydrophobicContact CB-CB 3.86Å; L111-P154 HydrophobicContact CD1-CB 4.38Å; L111-P154 PolarHBondContact N-O 3.35Å
112	N	94.3	Very high	95.6	Very high	85 Å²	85	36.5 Å²	36.5	46%	0.455	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-36.6	177.6	-57.2	121.9	0	0	0	111.6	S109 L110 E115 D116	S109-N112 PolarHBondContact N-OD1 3.15Å; S109-N112 WeakPolarHBondContact O-CB 3.43Å; S109-N112 PolarHBondContact O-N 2.63Å; S109-N112 VanDerWaalsContact OG-CG 3.31Å; S109-N112 PolarHBondContact OG-N 3.31Å; S109-N112 PolarHBondContact OG-OD1 2.91Å; L110-N112 VanDerWaalsContact C-N 3.33Å; L110-N112 PolarHBondContact O-N 2.85Å; N112-E115 PolarHBondContact O-N 3.5Å; N112-D116 PolarHBondContact O-N 3.38Å
113	L	96	Very high	95.7	Very high	34 Å²	34	36.1 Å²	36.1	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-65.9	-41.2	174.9	-176.2	64.2	0	0	0	111.8	S109 L110 L111 E115 D116 N119 L123 E127 Y169	S109-L113 PolarHBondContact O-N 2.76Å; L110-L113 HydrophobicContact CD1-CD2 4.26Å; L110-L113 WeakPolarHBondContact O-CB 3.42Å; L110-L113 PolarHBondContact O-N 3.21Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 2.92Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-D116 VanDerWaalsContact O-CB 3.26Å; L113-D116 WeakPolarHBondContact O-CB 3.48Å; L113-D116 PolarHBondContact O-N 3.29Å; L113-N119 WeakPolarHBondContact CD1-ND2 3.38Å; L113-N119 PolarHBondContact O-ND2 2.96Å; L113-L123 HydrophobicContact CD2-CD2 3.64Å; L113-L123 HydrophobicContact CG-CD2 3.81Å; L113-E127 HydrophobicContact CD2-CG 4.25Å; L113-Y169 WeakPolarHBondContact CD2-OH 3.48Å
114	L	96.2	Very high	95.7	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-72.7	-24.2	177.5	-65	174.4	0	0	0	113.3	L110 L111 D116 L123 P154	L110-L114 HydrophobicContact CD1-CG 4.37Å; L110-L114 HydrophobicContact CG-CD1 4.25Å; L110-L114 HydrophobicContact CG-CG 4.49Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.94Å; L111-L114 PolarHBondContact O-N 2.86Å; L114-D116 VanDerWaalsContact C-N 3.26Å; L114-L123 HydrophobicContact CD2-CD1 4.49Å; L114-L123 HydrophobicContact CD2-CD2 3.85Å; L114-L123 HydrophobicContact CD2-CG 3.89Å; L114-P154 HydrophobicContact CD1-CB 4.04Å; L114-P154 HydrophobicContact CD1-CG 3.99Å
115	E	92.9	Very high	95.7	Very high	100 Å²	100	36.6 Å²	36.6	47%	0.467	21%	0.212	S	C	.	.	H	α-helix	trans	-75.5	-14.8	173.4	-76.3	-175.6	147.7	0	0	113.4	L111 N112 L113	L111-E115 HydrophobicContact CD1-CG 4.43Å; L111-E115 HydrophobicContact CG-CG 4.46Å; L111-E115 WeakPolarHBondContact O-CG 3.08Å; L111-E115 PolarHBondContact O-N 2.72Å; N112-E115 PolarHBondContact O-N 3.5Å; L113-E115 VanDerWaalsContact C-N 3.33Å
116	D	93.9	Very high	95.6	Very high	72 Å²	72	39.7 Å²	39.7	39%	0.385	24%	0.238	S	C	.	.	S	Bend	trans	-62	125.2	170.6	-165.8	-47.9	0	0	0	109.6	N112 L113 L114 E118 N119 A120	N112-D116 PolarHBondContact O-N 3.38Å; L113-D116 VanDerWaalsContact O-CB 3.26Å; L113-D116 WeakPolarHBondContact O-CB 3.48Å; L113-D116 PolarHBondContact O-N 3.29Å; L114-D116 VanDerWaalsContact C-N 3.26Å; D116-E118 PolarHBondContact O-N 2.92Å; D116-E118 WeakPolarHBondContact OD1-CB 3.43Å; D116-E118 PolarHBondContact OD1-N 2.99Å; D116-N119 PolarHBondContact O-N 3.49Å; D116-A120 PolarHBondContact O-N 3.37Å
117	P	92.7	Very high	95.8	Very high	28 Å²	28	38.8 Å²	38.8	18%	0.182	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-52.9	-28.2	177.9	-27.9	35.8	0	0	0	114.9	N119 A120 V435 G436	P117-N119 PolarHBondContact O-N 3.43Å; P117-A120 VanDerWaalsContact O-CB 3.28Å; P117-A120 WeakPolarHBondContact O-CB 3.39Å; P117-A120 PolarHBondContact O-N 3.41Å; P117-V435 HydrophobicContact CB-CB 3.98Å; P117-V435 HydrophobicContact CB-CG1 3.4Å; P117-V435 VanDerWaalsContact CB-CG1 3.4Å; P117-V435 HydrophobicContact CG-CB 4.49Å; P117-V435 HydrophobicContact CG-CG1 3.99Å; P117-G436 VanDerWaalsContact O-CA 3.31Å; P117-G436 WeakPolarHBondContact O-CA 3.39Å
118	E	94.9	Very high	95.9	Very high	82 Å²	82	37.7 Å²	37.7	38%	0.383	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-60.6	-33.9	175.8	-176.5	150.3	-132.3	0	0	112.5	D116 H439 R443	D116-E118 PolarHBondContact O-N 2.92Å; D116-E118 WeakPolarHBondContact OD1-CB 3.43Å; D116-E118 PolarHBondContact OD1-N 2.99Å; E118-H439 IonicContact OE1-CE1 2.74Å; E118-H439 IonicContact OE1-ND1 2.73Å; E118-H439 PolarHBondContact OE1-ND1 3.44Å; E118-R443 PolarHBondContact O-NH1 2.99Å
119	N	96.8	Very high	96.1	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.059	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-96.9	11.5	-177.7	-61	-43.1	0	0	0	113.3	L113 D116 P117 F121 G122 L123	L113-N119 WeakPolarHBondContact CD1-ND2 3.38Å; L113-N119 PolarHBondContact O-ND2 2.96Å; D116-N119 PolarHBondContact O-N 3.49Å; P117-N119 PolarHBondContact O-N 3.43Å; N119-F121 PolarHBondContact O-N 2.85Å; N119-G122 PolarHBondContact O-N 3.44Å; N119-L123 HydrophobicContact CB-CD2 4.24Å
120	A	95.1	Very high	96.2	Very high	33 Å²	33	39.8 Å²	39.8	27%	0.273	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.3	179	0	0	0	0	0	114.2	D116 P117	D116-A120 PolarHBondContact O-N 3.37Å; P117-A120 VanDerWaalsContact O-CB 3.28Å; P117-A120 WeakPolarHBondContact O-CB 3.39Å; P117-A120 PolarHBondContact O-N 3.41Å
121	F	96	Very high	96.2	Very high	40 Å²	40	39.8 Å²	39.8	18%	0.175	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	29.1	176.6	-60.8	-76.4	0	0	0	112.8	N119 T232 G436 I437 Q440	N119-F121 PolarHBondContact O-N 2.85Å; F121-T232 VanDerWaalsContact C-C 3.43Å; F121-T232 CarbonylContact C-O 3.52Å; F121-T232 VanDerWaalsContact CA-O 3.29Å; F121-T232 WeakPolarHBondContact CA-O 3.46Å; F121-G436 WeakPolarHBondContact CE2-O 3.35Å; F121-I437 HydrophobicContact CE2-CG1 4.25Å; F121-I437 HydrophobicContact CZ-CG1 3.96Å; F121-Q440 HydrophobicContact CD2-CB 3.96Å; F121-Q440 HydrophobicContact CD2-CG 4.34Å; F121-Q440 HydrophobicContact CE2-CB 3.95Å
122	G	97.4	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.			trans	99.3	169.3	178.9	0	0	0	0	0	113.2	N119 S230 A231 T232 Q284	N119-G122 PolarHBondContact O-N 3.44Å; G122-S230 CarbonylContact C-O 3.54Å; G122-S230 WeakPolarHBondContact CA-O 3.49Å; G122-A231 WeakPolarHBondContact CA-O 3.27Å; G122-T232 PolarHBondContact N-O 3.25Å; G122-Q284 PolarHBondContact O-NE2 3.4Å
123	L	98.2	Very high	96.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.			trans	-76.2	154.6	178	-63.5	177.6	0	0	0	112.1	L110 L113 L114 N119 E127 F128 V131 S230	L110-L123 HydrophobicContact CD1-CD1 4.02Å; L113-L123 HydrophobicContact CD2-CD2 3.64Å; L113-L123 HydrophobicContact CG-CD2 3.81Å; L114-L123 HydrophobicContact CD2-CD1 4.49Å; L114-L123 HydrophobicContact CD2-CD2 3.85Å; L114-L123 HydrophobicContact CD2-CG 3.89Å; N119-L123 HydrophobicContact CB-CD2 4.24Å; L123-E127 HydrophobicContact CB-CB 4.45Å; L123-E127 HydrophobicContact CD1-CG 4.32Å; L123-F128 HydrophobicContact CB-CB 4.31Å; L123-V131 HydrophobicContact CD1-CG2 3.89Å; L123-S230 PolarHBondContact N-O 2.98Å
124	P	96.6	Very high	96.6	Very high	61 Å²	61	36.1 Å²	36.1	40%	0.396	20%	0.201	S	C	.	.			trans	-54.4	145.7	161.5	-22.8	33.8	0	0	0	111.3	A126 E127 F128	P124-A126 PolarHBondContact O-N 2.96Å; P124-E127 WeakPolarHBondContact O-CB 3.44Å; P124-E127 PolarHBondContact O-N 3.3Å; P124-F128 PolarHBondContact O-N 2.82Å
125	E	96.8	Very high	96.7	Very high	35 Å²	35	35.7 Å²	35.7	16%	0.164	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-44	-171.9	-175.8	159.7	158.3	0	0	114.2	E127 F128 L129 L285 S286 L289 Y341	E125-E127 VanDerWaalsContact C-N 3.33Å; E125-E127 PolarHBondContact O-N 2.93Å; E125-F128 PolarHBondContact O-N 3.21Å; E125-L129 WeakPolarHBondContact O-CG 3.46Å; E125-L129 PolarHBondContact O-N 3.48Å; E125-L285 HydrophobicContact CB-CD2 4.1Å; E125-L285 HydrophobicContact CG-CD2 4.23Å; E125-S286 PolarHBondContact OE1-OG 2.88Å; E125-S286 WeakPolarHBondContact OE2-CB 3.3Å; E125-S286 PolarHBondContact OE2-N 3.35Å; E125-S286 PolarHBondContact OE2-OG 3.3Å; E125-L289 HydrophobicContact CG-CD2 3.64Å; E125-Y341 WeakPolarHBondContact OE1-CE2 3.32Å; E125-Y341 PolarHBondContact OE1-OH 3.49Å
126	A	95.5	Very high	96.9	Very high	72 Å²	72	31.3 Å²	31.3	60%	0.595	18%	0.179	S	C	*	.	H	α-helix	trans	-63.2	-38.4	177.4	0	0	0	0	0	112.7	P124 T130	P124-A126 PolarHBondContact O-N 2.96Å; A126-T130 PolarHBondContact O-N 2.89Å; A126-T130 VanDerWaalsContact O-N 3.09Å; A126-T130 PolarHBondContact O-OG1 3.13Å
127	E	97.6	Very high	97.1	Very high	41 Å²	41	31.4 Å²	31.4	19%	0.192	18%	0.177	C	C	.	.	H	α-helix	trans	-70.6	-40.3	177.6	-166.3	64.7	-156.5	0	0	110.5	L113 L123 P124 E125 L129 T130 V131 R159 S167 Y169	L113-E127 HydrophobicContact CD2-CG 4.25Å; L123-E127 HydrophobicContact CB-CB 4.45Å; L123-E127 HydrophobicContact CD1-CG 4.32Å; P124-E127 WeakPolarHBondContact O-CB 3.44Å; P124-E127 PolarHBondContact O-N 3.3Å; E125-E127 VanDerWaalsContact C-N 3.33Å; E125-E127 PolarHBondContact O-N 2.93Å; E127-L129 PolarHBondContact O-N 3.41Å; E127-T130 WeakPolarHBondContact O-CB 3.33Å; E127-T130 PolarHBondContact O-N 3.2Å; E127-V131 WeakPolarHBondContact O-CG2 3.4Å; E127-V131 PolarHBondContact O-N 2.95Å; E127-R159 IonicContact OE1-NE 2.8Å; E127-S167 WeakPolarHBondContact OE1-CB 3.49Å; E127-S167 PolarHBondContact OE1-OG 3.18Å; E127-S167 PolarHBondContact OE2-OG 3.37Å; E127-Y169 VanDerWaalsContact OE1-CE2 3.28Å; E127-Y169 WeakPolarHBondContact OE1-CE2 3.44Å; E127-Y169 VanDerWaalsContact OE1-CZ 3.25Å; E127-Y169 PolarHBondContact OE1-OH 2.95Å
128	F	98.5	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-45.1	174.2	177.5	-91.6	0	0	0	112.2	L123 P124 E125 T130 V131 L132 L227 A231 L285 L289 L293	L123-F128 HydrophobicContact CB-CB 4.31Å; P124-F128 PolarHBondContact O-N 2.82Å; E125-F128 PolarHBondContact O-N 3.21Å; F128-T130 VanDerWaalsContact C-N 3.29Å; F128-T130 PolarHBondContact O-N 2.66Å; F128-V131 WeakPolarHBondContact O-CB 3.49Å; F128-V131 PolarHBondContact O-N 3.36Å; F128-L132 PolarHBondContact O-N 3.03Å; F128-L227 HydrophobicContact CE2-CD2 4.36Å; F128-L227 WeakPolarHBondContact CE2-O 3.48Å; F128-L227 HydrophobicContact CZ-CD2 4.31Å; F128-A231 HydrophobicContact CD2-CB 4.15Å; F128-A231 HydrophobicContact CE2-CB 3.76Å; F128-A231 HydrophobicContact CZ-CB 4.37Å; F128-L285 HydrophobicContact CB-CD2 3.91Å; F128-L285 HydrophobicContact CD1-CD1 4.06Å; F128-L285 HydrophobicContact CD1-CD2 4.09Å; F128-L285 HydrophobicContact CE1-CD1 4.12Å; F128-L285 HydrophobicContact CG-CD1 4.3Å; F128-L285 HydrophobicContact CG-CD2 3.95Å; F128-L285 HydrophobicContact CZ-CD1 4.4Å; F128-L289 HydrophobicContact CD1-CD2 4.14Å; F128-L293 HydrophobicContact CE1-CD1 4.24Å; F128-L293 HydrophobicContact CE1-CD2 3.63Å; F128-L293 HydrophobicContact CE2-CD2 4.29Å; F128-L293 HydrophobicContact CZ-CD1 3.95Å; F128-L293 HydrophobicContact CZ-CD2 3.36Å; F128-L293 HydrophobicContact CZ-CG 4.31Å
129	L	98.2	Very high	97.3	Very high	36 Å²	36	26.2 Å²	26.2	19%	0.188	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-36.5	175.8	-72.7	173.2	0	0	0	112	E125 E127 L132 Q133 L289 V321 L322 Y341	E125-L129 WeakPolarHBondContact O-CG 3.46Å; E125-L129 PolarHBondContact O-N 3.48Å; E127-L129 PolarHBondContact O-N 3.41Å; L129-L132 HydrophobicContact CD2-CD2 4.47Å; L129-L132 PolarHBondContact O-N 3.44Å; L129-Q133 WeakPolarHBondContact O-CB 3.42Å; L129-Q133 PolarHBondContact O-N 3.48Å; L129-L289 HydrophobicContact CD2-CD1 3.95Å; L129-L289 HydrophobicContact CD2-CD2 4.01Å; L129-L289 HydrophobicContact CG-CD2 4.17Å; L129-V321 HydrophobicContact CD2-CG1 4.48Å; L129-L322 HydrophobicContact CD2-CD2 4.43Å; L129-Y341 HydrophobicContact CD1-CE1 4.35Å
130	T	98.1	Very high	97.2	Very high	37 Å²	37	28.5 Å²	28.5	23%	0.227	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-42.6	174.7	-56	0	0	0	0	111.4	A126 E127 F128 C134 S167 Y169	A126-T130 PolarHBondContact O-N 2.89Å; A126-T130 VanDerWaalsContact O-N 3.09Å; A126-T130 PolarHBondContact O-OG1 3.13Å; E127-T130 WeakPolarHBondContact O-CB 3.33Å; E127-T130 PolarHBondContact O-N 3.2Å; F128-T130 VanDerWaalsContact C-N 3.29Å; F128-T130 PolarHBondContact O-N 2.66Å; T130-C134 WeakPolarHBondContact O-CB 3.27Å; T130-C134 PolarHBondContact O-N 2.98Å; T130-C134 PolarHBondContact O-SG 3.44Å; T130-S167 VanDerWaalsContact CG2-O 3.28Å; T130-S167 WeakPolarHBondContact CG2-O 3.5Å; T130-Y169 HydrophobicContact CG2-CD2 4.17Å; T130-Y169 HydrophobicContact CG2-CE2 4.13Å
131	V	98.6	Very high	97.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-50.4	172.5	171.1	0	0	0	0	110.5	L110 L123 E127 F128 Q133 C134 I135 Y169	L110-V131 HydrophobicContact CD1-CG2 3.98Å; L110-V131 HydrophobicContact CD2-CG1 3.93Å; L123-V131 HydrophobicContact CD1-CG2 3.89Å; E127-V131 WeakPolarHBondContact O-CG2 3.4Å; E127-V131 PolarHBondContact O-N 2.95Å; F128-V131 WeakPolarHBondContact O-CB 3.49Å; F128-V131 PolarHBondContact O-N 3.36Å; V131-Q133 PolarHBondContact O-N 3.34Å; V131-C134 PolarHBondContact O-N 3.29Å; V131-I135 HydrophobicContact CG1-CD1 3.55Å; V131-I135 HydrophobicContact CG1-CG1 4.29Å; V131-I135 WeakPolarHBondContact O-CB 3.39Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.49Å; V131-I135 PolarHBondContact O-N 3.49Å; V131-Y169 HydrophobicContact CB-CD2 4.41Å; V131-Y169 HydrophobicContact CB-CE2 4.37Å; V131-Y169 HydrophobicContact CG2-CD1 4.28Å; V131-Y169 HydrophobicContact CG2-CD2 3.76Å; V131-Y169 HydrophobicContact CG2-CE1 3.88Å; V131-Y169 HydrophobicContact CG2-CE2 3.35Å; V131-Y169 HydrophobicContact CG2-CG 4.2Å
132	L	98.6	Very high	97.2	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-56.3	-50.7	179.3	177.8	62.6	0	0	0	111	F128 L129 C134 I135 V136 L227 T318 V321 L322	F128-L132 PolarHBondContact O-N 3.03Å; L129-L132 HydrophobicContact CD2-CD2 4.47Å; L129-L132 PolarHBondContact O-N 3.44Å; L132-C134 PolarHBondContact O-N 2.95Å; L132-I135 PolarHBondContact O-N 3.26Å; L132-V136 HydrophobicContact CD1-CG2 4.01Å; L132-V136 HydrophobicContact CG-CG2 4.43Å; L132-V136 WeakPolarHBondContact O-CB 3.08Å; L132-V136 WeakPolarHBondContact O-CG2 3.44Å; L132-V136 PolarHBondContact O-N 3.12Å; L132-L227 HydrophobicContact CD1-CD1 3.88Å; L132-L227 HydrophobicContact CD1-CD2 4.06Å; L132-T318 HydrophobicContact CD1-CG2 4.02Å; L132-V321 HydrophobicContact CD2-CG1 4.29Å; L132-L322 HydrophobicContact CB-CD2 4.47Å; L132-L322 HydrophobicContact CD2-CD2 4.05Å; L132-L322 HydrophobicContact CD2-CG 4.27Å; L132-L322 HydrophobicContact CG-CD1 4.45Å; L132-L322 HydrophobicContact CG-CD2 4.19Å; L132-L322 HydrophobicContact CG-CG 4.43Å
133	Q	98.4	Very high	96.8	Very high	88 Å²	88	29.4 Å²	29.4	41%	0.411	16%	0.159	S	C	.	.	H	α-helix	trans	-57.8	-49.7	179.5	-174.7	178.2	17.6	0	0	112.1	L129 V131 V136 Q137 L322	L129-Q133 WeakPolarHBondContact O-CB 3.42Å; L129-Q133 PolarHBondContact O-N 3.48Å; V131-Q133 PolarHBondContact O-N 3.34Å; Q133-V136 PolarHBondContact O-N 3.23Å; Q133-Q137 WeakPolarHBondContact O-CB 3.41Å; Q133-Q137 VanDerWaalsContact O-CG 3.28Å; Q133-Q137 WeakPolarHBondContact O-CG 3.45Å; Q133-Q137 PolarHBondContact O-N 3.45Å; Q133-L322 HydrophobicContact CB-CD1 4.11Å; Q133-L322 HydrophobicContact CB-CD2 3.88Å; Q133-L322 HydrophobicContact CG-CD1 4.35Å
134	C	98.4	Very high	96.5	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-39.7	-177.7	-71.7	0	0	0	0	112.5	N83 T130 V131 L132 G138 Y169	N83-C134 WeakPolarHBondContact CB-O 3.43Å; N83-C134 WeakPolarHBondContact ND2-CA 3.42Å; N83-C134 WeakPolarHBondContact ND2-CB 3.46Å; N83-C134 PolarHBondContact ND2-SG 3.35Å; T130-C134 WeakPolarHBondContact O-CB 3.27Å; T130-C134 PolarHBondContact O-N 2.98Å; T130-C134 PolarHBondContact O-SG 3.44Å; V131-C134 PolarHBondContact O-N 3.29Å; L132-C134 PolarHBondContact O-N 2.95Å; C134-G138 PolarHBondContact O-N 2.91Å; C134-Y169 HydrophobicContact CB-CD2 4.46Å; C134-Y169 PolarHBondContact SG-N 3.27Å; C134-Y169 VanDerWaalsContact SG-N 3.42Å
135	I	97.6	Very high	96.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-47.8	175.3	-70.1	172.8	0	0	0	109.8	V131 L132 Q137 G138 M139 I157 I223 T226 L227	V131-I135 HydrophobicContact CG1-CD1 3.55Å; V131-I135 HydrophobicContact CG1-CG1 4.29Å; V131-I135 WeakPolarHBondContact O-CB 3.39Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.49Å; V131-I135 PolarHBondContact O-N 3.49Å; L132-I135 PolarHBondContact O-N 3.26Å; I135-Q137 VanDerWaalsContact C-N 3.34Å; I135-Q137 PolarHBondContact O-N 3.34Å; I135-G138 PolarHBondContact O-N 3.09Å; I135-M139 HydrophobicContact CG2-CG 4.14Å; I135-M139 WeakPolarHBondContact O-CB 3.4Å; I135-M139 VanDerWaalsContact O-CG 3.23Å; I135-M139 WeakPolarHBondContact O-CG 3.3Å; I135-M139 PolarHBondContact O-N 3.42Å; I135-I157 HydrophobicContact CD1-CD1 3.84Å; I135-I157 HydrophobicContact CG1-CD1 4.28Å; I135-I223 HydrophobicContact CG2-CD1 4.44Å; I135-I223 HydrophobicContact CG2-CG1 4.23Å; I135-I223 HydrophobicContact CG2-CG2 4.2Å; I135-T226 HydrophobicContact CD1-CG2 4.32Å; I135-L227 HydrophobicContact CD1-CD2 4.2Å
136	V	97.2	Very high	95.9	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.048	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-47.3	179.3	168.3	0	0	0	0	110.8	L132 Q133 M139 N140 F314 F315 T318 L322	L132-V136 HydrophobicContact CD1-CG2 4.01Å; L132-V136 HydrophobicContact CG-CG2 4.43Å; L132-V136 WeakPolarHBondContact O-CB 3.08Å; L132-V136 WeakPolarHBondContact O-CG2 3.44Å; L132-V136 PolarHBondContact O-N 3.12Å; Q133-V136 PolarHBondContact O-N 3.23Å; V136-M139 PolarHBondContact O-N 3.46Å; V136-N140 WeakPolarHBondContact O-CB 3.33Å; V136-N140 PolarHBondContact O-N 2.9Å; V136-F314 HydrophobicContact CG2-CE1 4.18Å; V136-F314 HydrophobicContact CG2-CZ 3.95Å; V136-F315 HydrophobicContact CG1-CD1 3.92Å; V136-F315 HydrophobicContact CG1-CE1 4.18Å; V136-F315 WeakPolarHBondContact O-CE1 3.47Å; V136-T318 HydrophobicContact CG2-CG2 4.1Å; V136-T318 WeakPolarHBondContact CG2-OG1 3.38Å; V136-L322 HydrophobicContact CB-CD1 4.47Å; V136-L322 HydrophobicContact CG2-CD1 4.48Å
137	Q	97.9	Very high	95.6	Very high	75 Å²	75	34 Å²	34	35%	0.35	17%	0.165	S	C	.	.	H	α-helix	trans	-65.2	-43.4	178.4	-69.5	172.8	-4.6	0	0	112.5	N83 Q133 I135 M139 N140 H141	N83-Q137 PolarHBondContact OD1-OE1 3.48Å; N83-Q137 VanDerWaalsContact OD1-OE1 3.13Å; Q133-Q137 WeakPolarHBondContact O-CB 3.41Å; Q133-Q137 VanDerWaalsContact O-CG 3.28Å; Q133-Q137 WeakPolarHBondContact O-CG 3.45Å; Q133-Q137 PolarHBondContact O-N 3.45Å; I135-Q137 VanDerWaalsContact C-N 3.34Å; I135-Q137 PolarHBondContact O-N 3.34Å; Q137-M139 VanDerWaalsContact C-N 3.35Å; Q137-M139 PolarHBondContact O-N 3.03Å; Q137-N140 PolarHBondContact O-N 2.97Å; Q137-H141 PolarHBondContact O-N 2.9Å; Q137-H141 VanDerWaalsContact O-N 3.13Å
138	G	97.2	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-42.4	175.4	0	0	0	0	0	112.6	C134 I135 H141 L142	C134-G138 PolarHBondContact O-N 2.91Å; I135-G138 PolarHBondContact O-N 3.09Å; G138-H141 WeakPolarHBondContact O-CB 3.41Å; G138-H141 PolarHBondContact O-N 3.5Å; G138-L142 WeakPolarHBondContact O-CG 3.38Å; G138-L142 PolarHBondContact O-N 3.48Å
139	M	95.3	Very high	94.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.4	-36.5	178.3	-71.9	-54.7	-58.9	0	0	113.2	I135 V136 Q137 H141 L142 R143 I152 L171 D219 I223 F311 F315	I135-M139 HydrophobicContact CG2-CG 4.14Å; I135-M139 WeakPolarHBondContact O-CB 3.4Å; I135-M139 VanDerWaalsContact O-CG 3.23Å; I135-M139 WeakPolarHBondContact O-CG 3.3Å; I135-M139 PolarHBondContact O-N 3.42Å; V136-M139 PolarHBondContact O-N 3.46Å; Q137-M139 VanDerWaalsContact C-N 3.35Å; Q137-M139 PolarHBondContact O-N 3.03Å; M139-H141 VanDerWaalsContact C-N 3.29Å; M139-H141 PolarHBondContact O-N 3.36Å; M139-L142 HydrophobicContact CE-CD1 4.42Å; M139-L142 PolarHBondContact O-N 3.04Å; M139-L142 HydrophobicContact SD-CD1 3.91Å; M139-R143 PolarHBondContact O-N 2.86Å; M139-I152 HydrophobicContact CE-CD1 3.86Å; M139-I152 HydrophobicContact SD-CD1 3.31Å; M139-I152 WeakPolarHBondContact SD-CD1 3.34Å; M139-L171 HydrophobicContact SD-CD1 3.95Å; M139-D219 HydrophobicContact CE-CB 3.88Å; M139-I223 HydrophobicContact CE-CD1 3.94Å; M139-I223 HydrophobicContact CG-CD1 3.64Å; M139-I223 HydrophobicContact SD-CD1 3.93Å; M139-F311 HydrophobicContact CE-CE1 3.89Å; M139-F311 HydrophobicContact CE-CZ 3.94Å; M139-F315 HydrophobicContact CB-CE1 4.19Å; M139-F315 HydrophobicContact CB-CZ 4.02Å
140	N	94.8	Very high	94.3	Very high	59 Å²	59	31.2 Å²	31.2	32%	0.316	15%	0.15	S	C	.	.	H	α-helix	trans	-61.3	-43	173.9	-172.4	63.2	0	0	0	110.5	V136 Q137 L142 R143 E144 F315	V136-N140 WeakPolarHBondContact O-CB 3.33Å; V136-N140 PolarHBondContact O-N 2.9Å; Q137-N140 PolarHBondContact O-N 2.97Å; N140-L142 PolarHBondContact O-N 3.41Å; N140-R143 WeakPolarHBondContact O-CB 3.34Å; N140-R143 PolarHBondContact O-N 3.28Å; N140-E144 PolarHBondContact ND2-OE1 3.47Å; N140-E144 WeakPolarHBondContact O-CG 3.5Å; N140-E144 PolarHBondContact O-N 3.35Å; N140-F315 HydrophobicContact CB-CD1 4.44Å; N140-F315 HydrophobicContact CB-CE1 3.81Å; N140-F315 HydrophobicContact CB-CZ 3.99Å
141	H	95.9	Very high	93.9	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-41.1	174.3	-170.7	81.8	0	0	0	112.5	N80 H81 Q137 G138 M139 R143 E144 Y145	N80-H141 PolarHBondContact N-NE2 3.41Å; N80-H141 PolarHBondContact O-CE1 3.31Å; H81-H141 HydrophobicContact CB-CB 4.16Å; H81-H141 AromaticContact CD2-ND1 3.75Å; H81-H141 AromaticContact CG-CG 3.81Å; H81-H141 AromaticContact CG-ND1 3.86Å; Q137-H141 PolarHBondContact O-N 2.9Å; Q137-H141 VanDerWaalsContact O-N 3.13Å; G138-H141 WeakPolarHBondContact O-CB 3.41Å; G138-H141 PolarHBondContact O-N 3.5Å; M139-H141 VanDerWaalsContact C-N 3.29Å; M139-H141 PolarHBondContact O-N 3.36Å; H141-R143 VanDerWaalsContact C-N 3.35Å; H141-R143 PolarHBondContact O-N 2.97Å; H141-E144 PolarHBondContact O-N 3.07Å; H141-Y145 AromaticContact CE1-CD2 3.88Å; H141-Y145 AromaticContact CE1-CE2 3.28Å; H141-Y145 WeakPolarHBondContact CE1-CE2 3.47Å; H141-Y145 AromaticContact NE2-CD2 3.72Å; H141-Y145 AromaticContact NE2-CE2 3.47Å; H141-Y145 WeakPolarHBondContact NE2-CE2 3.42Å; H141-Y145 VanDerWaalsContact O-CD2 3.31Å; H141-Y145 WeakPolarHBondContact O-CD2 3.44Å; H141-Y145 PolarHBondContact O-N 3.2Å
142	L	93.7	Very high	93.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-42.5	174.5	-63.7	-171.5	0	0	0	112	L79 I84 G138 M139 N140 Y145 G146 V147 H149 L171 F174	L79-L142 HydrophobicContact CD1-CD2 3.51Å; L79-L142 HydrophobicContact CD2-CD2 3.85Å; L79-L142 HydrophobicContact CG-CD2 4.31Å; I84-L142 HydrophobicContact CD1-CD2 3.93Å; I84-L142 HydrophobicContact CD1-CG 4.35Å; G138-L142 WeakPolarHBondContact O-CG 3.38Å; G138-L142 PolarHBondContact O-N 3.48Å; M139-L142 HydrophobicContact CE-CD1 4.42Å; M139-L142 PolarHBondContact O-N 3.04Å; M139-L142 HydrophobicContact SD-CD1 3.91Å; N140-L142 PolarHBondContact O-N 3.41Å; L142-Y145 CarbonylContact O-C 3.57Å; L142-Y145 PolarHBondContact O-N 3.38Å; L142-G146 PolarHBondContact O-N 3.32Å; L142-G146 VanDerWaalsContact O-N 3.16Å; L142-V147 HydrophobicContact CB-CB 4.33Å; L142-V147 HydrophobicContact CD2-CB 4.4Å; L142-V147 HydrophobicContact CD2-CG1 4.26Å; L142-V147 PolarHBondContact O-N 3.21Å; L142-H149 HydrophobicContact CD1-CB 4.01Å; L142-L171 HydrophobicContact CD1-CD1 3.88Å; L142-L171 HydrophobicContact CG-CD1 4.49Å; L142-F174 HydrophobicContact CD1-CE1 4.26Å; L142-F174 HydrophobicContact CD2-CE1 3.75Å; L142-F174 HydrophobicContact CD2-CZ 4.33Å
143	R	90.4	Very high	93.5	Very high	82 Å²	82	31.6 Å²	31.6	31%	0.309	15%	0.15	S	C	.	.	H	α-helix	trans	-61.7	-43.5	178	176.7	-179.2	177.1	-169.1	7	112.3	M139 N140 H141 Y145 G146 F311 D312	M139-R143 PolarHBondContact O-N 2.86Å; N140-R143 WeakPolarHBondContact O-CB 3.34Å; N140-R143 PolarHBondContact O-N 3.28Å; H141-R143 VanDerWaalsContact C-N 3.35Å; H141-R143 PolarHBondContact O-N 2.97Å; R143-Y145 PolarHBondContact O-N 2.92Å; R143-G146 PolarHBondContact O-N 3.31Å; R143-F311 HydrophobicContact CB-CE2 4.49Å; R143-F311 HydrophobicContact CG-CD2 4.23Å; R143-D312 IonicContact CZ-OD1 3.76Å; R143-D312 IonicContact NH1-OD1 3.69Å; R143-D312 PolarHBondContact NH1-OD1 3.13Å; R143-D312 VanDerWaalsContact NH2-CG 3.29Å; R143-D312 IonicContact NH2-OD1 3.15Å; R143-D312 PolarHBondContact NH2-OD1 3.48Å; R143-D312 IonicContact NH2-OD2 3.47Å; R143-D312 PolarHBondContact NH2-OD2 2.99Å
144	E	91.6	Very high	93.5	Very high	129 Å²	129	27.4 Å²	27.4	60%	0.603	13%	0.13	S	C	*	.	H	α-helix	trans	-58.9	-29.2	178.5	-75.1	171.4	-173.8	0	0	112.7	N140 H141	N140-E144 PolarHBondContact ND2-OE1 3.47Å; N140-E144 WeakPolarHBondContact O-CG 3.5Å; N140-E144 PolarHBondContact O-N 3.35Å; H141-E144 PolarHBondContact O-N 3.07Å
145	Y	91.5	Very high	93.3	Very high	112 Å²	112	28 Å²	28	44%	0.439	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	6.2	176.5	-76.2	-100.6	0	0	0	113.4	K78 L79 H141 L142 R143 V147	K78-Y145 WeakPolarHBondContact O-CE1 3.41Å; L79-Y145 HydrophobicContact CD2-CD2 4.39Å; L79-Y145 HydrophobicContact CD2-CG 4.09Å; H141-Y145 AromaticContact CE1-CD2 3.88Å; H141-Y145 AromaticContact CE1-CE2 3.28Å; H141-Y145 WeakPolarHBondContact CE1-CE2 3.47Å; H141-Y145 AromaticContact NE2-CD2 3.72Å; H141-Y145 AromaticContact NE2-CE2 3.47Å; H141-Y145 WeakPolarHBondContact NE2-CE2 3.42Å; H141-Y145 VanDerWaalsContact O-CD2 3.31Å; H141-Y145 WeakPolarHBondContact O-CD2 3.44Å; H141-Y145 PolarHBondContact O-N 3.2Å; L142-Y145 CarbonylContact O-C 3.57Å; L142-Y145 PolarHBondContact O-N 3.38Å; R143-Y145 PolarHBondContact O-N 2.92Å; Y145-V147 VanDerWaalsContact C-N 3.3Å; Y145-V147 PolarHBondContact O-N 3.38Å
146	G	88.6	Confident	93.2	Very high	22 Å²	22	28.6 Å²	28.6	23%	0.227	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	30.4	-179.3	0	0	0	0	0	113.9	L142 R143 E179 L180	L142-G146 PolarHBondContact O-N 3.32Å; L142-G146 VanDerWaalsContact O-N 3.16Å; R143-G146 PolarHBondContact O-N 3.31Å; G146-E179 CarbonylContact O-C 3.51Å; G146-E179 VanDerWaalsContact O-CA 3.32Å; G146-E179 WeakPolarHBondContact O-CA 3.36Å; G146-L180 WeakPolarHBondContact O-CG 3.38Å; G146-L180 PolarHBondContact O-N 3.03Å
147	V	89.3	Confident	93.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.4	-175.7	177.3	0	0	0	0	111.8	M75 L79 L142 Y145 A177 R178	M75-V147 HydrophobicContact SD-CG1 4.13Å; M75-V147 HydrophobicContact SD-CG2 4.02Å; L79-V147 HydrophobicContact CD2-CG2 4.44Å; L142-V147 HydrophobicContact CB-CB 4.33Å; L142-V147 HydrophobicContact CD2-CB 4.4Å; L142-V147 HydrophobicContact CD2-CG1 4.26Å; L142-V147 PolarHBondContact O-N 3.21Å; Y145-V147 VanDerWaalsContact C-N 3.3Å; Y145-V147 PolarHBondContact O-N 3.38Å; V147-A177 HydrophobicContact CG1-CB 4.12Å; V147-R178 CarbonylContact C-O 3.58Å; V147-R178 WeakPolarHBondContact CA-O 3.43Å
148	V	88.4	Confident	93.3	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.5	167.2	-170.7	0	0	0	0	109	R150 A177 R178 L180 D219	V148-R150 HydrophobicContact CB-CG 4.32Å; V148-R150 HydrophobicContact CG1-CG 3.67Å; V148-A177 CarbonylContact O-C 3.48Å; V148-A177 WeakPolarHBondContact O-CA 3.35Å; V148-A177 WeakPolarHBondContact O-CB 3.49Å; V148-R178 PolarHBondContact N-O 3.35Å; V148-R178 PolarHBondContact O-N 3.07Å; V148-L180 HydrophobicContact CG2-CD2 3.27Å; V148-L180 HydrophobicContact CG2-CG 3.75Å; V148-D219 VanDerWaalsContact CG1-OD2 3.28Å; V148-D219 WeakPolarHBondContact CG1-OD2 3.46Å
149	H	91.2	Very high	93.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.			trans	-81.7	-43.3	-174.5	-170.8	-50.5	0	0	0	113.2	L142 D151 I152 T172 D173 F174 A176 D219	L142-H149 HydrophobicContact CD1-CB 4.01Å; H149-D151 PolarHBondContact ND1-N 3.06Å; H149-D151 PolarHBondContact O-N 3.49Å; H149-I152 HydrophobicContact CB-CD1 4.13Å; H149-I152 HydrophobicContact CB-CG1 3.83Å; H149-T172 PolarHBondContact CE1-O 3.43Å; H149-T172 PolarHBondContact NE2-O 2.94Å; H149-D173 PolarHBondContact CE1-O 2.77Å; H149-D173 VanDerWaalsContact CE1-O 3.24Å; H149-F174 AromaticContact CD2-CE1 3.63Å; H149-A176 CarbonylContact O-C 3.59Å; H149-D219 PolarHBondContact N-OD2 2.97Å
150	R	87.8	Confident	93.4	Very high	9 Å²	9	31.4 Å²	31.4	3%	0.034	15%	0.153	C	C	.	.	S	Bend	trans	65.7	5.7	177.8	-51.2	-171.5	-62.8	170.9	1.8	117.6	V148 A176 R178 D219	V148-R150 HydrophobicContact CB-CG 4.32Å; V148-R150 HydrophobicContact CG1-CG 3.67Å; R150-A176 HydrophobicContact CB-CB 4.44Å; R150-A176 PolarHBondContact NE-O 3.17Å; R150-A176 PolarHBondContact NH2-O 3.09Å; R150-R178 VanDerWaalsContact NH2-CG 3.32Å; R150-D219 VanDerWaalsContact CA-OD1 3.31Å; R150-D219 WeakPolarHBondContact CA-OD1 3.4Å; R150-D219 PolarHBondContact N-OD1 3.07Å
151	D	89.4	Confident	93.3	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.091	15%	0.15	C	C	.	.			trans	-148.2	40.6	177.5	-164.3	27.6	0	0	0	111.4	H149 K153 N156 A176 G191 T192	H149-D151 PolarHBondContact ND1-N 3.06Å; H149-D151 PolarHBondContact O-N 3.49Å; D151-K153 PolarHBondContact O-N 3.34Å; D151-K153 IonicContact OD1-NZ 3.42Å; D151-K153 PolarHBondContact OD1-NZ 3.06Å; D151-K153 IonicContact OD2-NZ 3.95Å; D151-K153 PolarHBondContact OD2-NZ 3.02Å; D151-N156 PolarHBondContact O-ND2 3.39Å; D151-N156 PolarHBondContact OD2-ND2 3.44Å; D151-A176 HydrophobicContact CB-CB 4.2Å; D151-G191 WeakPolarHBondContact OD1-CA 3.3Å; D151-T192 PolarHBondContact OD1-N 3.32Å
152	I	94.6	Very high	93	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.162	C	C	.	.			trans	-72.3	121.6	175	-59.1	174.1	0	0	0	108.5	M139 H149 I157 D219 S222 I223	M139-I152 HydrophobicContact CE-CD1 3.86Å; M139-I152 HydrophobicContact SD-CD1 3.31Å; M139-I152 WeakPolarHBondContact SD-CD1 3.34Å; H149-I152 HydrophobicContact CB-CD1 4.13Å; H149-I152 HydrophobicContact CB-CG1 3.83Å; I152-I157 HydrophobicContact CG2-CD1 4.37Å; I152-D219 HydrophobicContact CD1-CB 3.86Å; I152-S222 WeakPolarHBondContact O-CB 3.33Å; I152-I223 HydrophobicContact CD1-CD1 3.95Å; I152-I223 HydrophobicContact CD1-CG1 3.88Å; I152-I223 HydrophobicContact CG2-CG1 3.98Å
153	K	94.9	Very high	92.8	Very high	29 Å²	29	41.6 Å²	41.6	13%	0.126	21%	0.209	C	C	.	.	S	Bend	trans	-161.2	162.6	178	64	-167.5	177.9	-142.8	0	108.9	D151 G155 N156 I157 T192 Y195	D151-K153 PolarHBondContact O-N 3.34Å; D151-K153 IonicContact OD1-NZ 3.42Å; D151-K153 PolarHBondContact OD1-NZ 3.06Å; D151-K153 IonicContact OD2-NZ 3.95Å; D151-K153 PolarHBondContact OD2-NZ 3.02Å; K153-G155 PolarHBondContact O-N 3.07Å; K153-N156 WeakPolarHBondContact CE-ND2 3.44Å; K153-N156 HydrophobicContact CG-CB 4.17Å; K153-N156 PolarHBondContact O-N 3.15Å; K153-I157 WeakPolarHBondContact O-CG1 3.42Å; K153-I157 PolarHBondContact O-N 3.11Å; K153-T192 HydrophobicContact CD-CG2 4.2Å; K153-T192 WeakPolarHBondContact CD-OG1 3.32Å; K153-T192 VanDerWaalsContact CE-OG1 3.31Å; K153-T192 WeakPolarHBondContact CE-OG1 3.49Å; K153-T192 PolarHBondContact NZ-OG1 3.02Å; K153-Y195 HydrophobicContact CB-CD1 4.08Å; K153-Y195 HydrophobicContact CB-CD2 3.92Å; K153-Y195 HydrophobicContact CB-CE1 4.33Å; K153-Y195 HydrophobicContact CB-CE2 4.17Å; K153-Y195 HydrophobicContact CB-CG 3.88Å
154	P	97.1	Very high	92.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-52	-32.4	177.8	-29.4	36	0	0	0	114.7	L110 L111 L114 N156 I157 Y195 T226	L110-P154 HydrophobicContact CB-CB 4.22Å; L110-P154 WeakPolarHBondContact CB-O 3.33Å; L110-P154 HydrophobicContact CD2-CB 4.32Å; L110-P154 HydrophobicContact CG-CB 4.08Å; L110-P154 PolarHBondContact N-O 3.21Å; L111-P154 HydrophobicContact CB-CB 3.86Å; L111-P154 HydrophobicContact CD1-CB 4.38Å; L111-P154 PolarHBondContact N-O 3.35Å; L114-P154 HydrophobicContact CD1-CB 4.04Å; L114-P154 HydrophobicContact CD1-CG 3.99Å; P154-N156 VanDerWaalsContact C-N 3.29Å; P154-N156 PolarHBondContact O-N 3.1Å; P154-I157 PolarHBondContact O-N 3.48Å; P154-Y195 VanDerWaalsContact CD-CZ 3.46Å; P154-Y195 WeakPolarHBondContact CD-OH 3.09Å; P154-Y195 HydrophobicContact CG-CE1 4Å; P154-T226 HydrophobicContact CG-CG2 4.11Å
155	G	94.4	Very high	92.5	Very high	23 Å²	23	38.9 Å²	38.9	24%	0.237	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-70.2	-22.3	178.1	0	0	0	0	0	114.6	K153	K153-G155 PolarHBondContact O-N 3.07Å
156	N	96.2	Very high	92.4	Very high	14 Å²	14	40.3 Å²	40.3	8%	0.075	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-105.3	14	179.4	-69.8	-2.3	0	0	0	112.1	D151 K153 P154 T172	D151-N156 PolarHBondContact O-ND2 3.39Å; D151-N156 PolarHBondContact OD2-ND2 3.44Å; K153-N156 WeakPolarHBondContact CE-ND2 3.44Å; K153-N156 HydrophobicContact CG-CB 4.17Å; K153-N156 PolarHBondContact O-N 3.15Å; P154-N156 VanDerWaalsContact C-N 3.29Å; P154-N156 PolarHBondContact O-N 3.1Å; N156-T172 PolarHBondContact O-N 3.49Å
157	I	98.3	Very high	92.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	102.9	173.8	-61.6	163.9	0	0	0	106.6	S109 L110 I135 I152 K153 P154 Y169 K170 L171 T226	S109-I157 CarbonylContact C-O 3.49Å; S109-I157 WeakPolarHBondContact CA-O 3.01Å; L110-I157 HydrophobicContact CB-CB 4.03Å; L110-I157 HydrophobicContact CB-CG2 4.14Å; L110-I157 HydrophobicContact CD2-CB 4.33Å; L110-I157 HydrophobicContact CD2-CD1 3.96Å; L110-I157 HydrophobicContact CD2-CG2 4.24Å; L110-I157 PolarHBondContact N-O 3.38Å; I135-I157 HydrophobicContact CD1-CD1 3.84Å; I135-I157 HydrophobicContact CG1-CD1 4.28Å; I152-I157 HydrophobicContact CG2-CD1 4.37Å; K153-I157 WeakPolarHBondContact O-CG1 3.42Å; K153-I157 PolarHBondContact O-N 3.11Å; P154-I157 PolarHBondContact O-N 3.48Å; I157-Y169 HydrophobicContact CG2-CD1 3.86Å; I157-Y169 HydrophobicContact CG2-CG 4.31Å; I157-K170 CarbonylContact C-O 3.57Å; I157-K170 WeakPolarHBondContact CA-O 3.37Å; I157-L171 HydrophobicContact CG1-CD2 3.91Å; I157-T226 HydrophobicContact CD1-CG2 3.6Å
158	M	98.1	Very high	93.2	Very high	44 Å²	44	42.2 Å²	42.2	22%	0.217	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	147	-179.4	-56.2	-53.2	-64.4	0	0	110.8	V85 C105 Y169 K170 T172	V85-M158 HydrophobicContact CG2-CB 4.09Å; V85-M158 HydrophobicContact CG2-CG 3.83Å; C105-M158 HydrophobicContact CB-CB 3.71Å; C105-M158 HydrophobicContact CB-CE 4.12Å; C105-M158 VanDerWaalsContact SG-CB 3.52Å; M158-Y169 CarbonylContact O-C 3.19Å; M158-Y169 VanDerWaalsContact O-CA 3.23Å; M158-Y169 WeakPolarHBondContact O-CA 3.37Å; M158-K170 HydrophobicContact CB-CB 4.49Å; M158-K170 PolarHBondContact N-O 2.97Å; M158-K170 PolarHBondContact O-N 3.26Å; M158-T172 HydrophobicContact CG-CG2 3.55Å; M158-T172 HydrophobicContact SD-CG2 3.87Å
159	R	98	Very high	93.7	Very high	47 Å²	47	41.9 Å²	41.9	18%	0.177	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.3	177	-176.6	176.9	176.3	-98.5	-9	109.3	G107 G108 E127 V161 S167 Y169	G107-R159 CarbonylContact C-O 3.54Å; G107-R159 WeakPolarHBondContact CA-O 3.3Å; G107-R159 PolarHBondContact N-O 3.42Å; G108-R159 PolarHBondContact O-N 2.92Å; E127-R159 IonicContact OE1-NE 2.8Å; R159-V161 VanDerWaalsContact CZ-CG2 3.5Å; R159-S167 VanDerWaalsContact CZ-OG 3.26Å; R159-S167 PolarHBondContact NE-OG 3.04Å; R159-S167 PolarHBondContact NH2-OG 3.18Å; R159-Y169 HydrophobicContact CB-CD1 3.99Å; R159-Y169 HydrophobicContact CB-CE1 3.73Å; R159-Y169 HydrophobicContact CG-CD1 4.29Å; R159-Y169 HydrophobicContact CG-CE1 3.78Å
160	Q	96.5	Very high	94	Very high	50 Å²	50	42.9 Å²	42.9	23%	0.234	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.8	166	178.8	58.2	25.4	0	0	108.7	Y104 C105 S106 S167 V168	Y104-Q160 PolarHBondContact O-OE1 3.41Å; C105-Q160 VanDerWaalsContact CA-OE1 3.29Å; S106-Q160 VanDerWaalsContact N-OE1 3.09Å; Q160-S167 CarbonylContact O-C 3.51Å; Q160-S167 WeakPolarHBondContact O-CA 3.4Å; Q160-V168 PolarHBondContact N-O 3.26Å; Q160-V168 PolarHBondContact O-N 3.04Å
161	V	94.4	Very high	94.5	Very high	42 Å²	42	42.6 Å²	42.6	26%	0.255	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.2	174.2	-170	0	0	0	0	108.1	R159	R159-V161 VanDerWaalsContact CZ-CG2 3.5Å
162	G	89.4	Confident	94.8	Very high	30 Å²	30	42.6 Å²	42.6	31%	0.309	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-70.2	165.5	174.5	0	0	0	0	0	112.2	D164 G165 K166	G162-D164 PolarHBondContact O-N 2.72Å; G162-G165 PolarHBondContact O-N 3.42Å; G162-K166 PolarHBondContact N-O 3.3Å
163	E	87.8	Confident	94.6	Very high	212 Å²	212	44.5 Å²	44.5	99%	0.991	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.9	175.1	-63.6	-177	170.4	0	0	112.3	G165	E163-G165 PolarHBondContact O-N 2.86Å
164	D	88.4	Confident	94.4	Very high	106 Å²	106	43.1 Å²	43.1	57%	0.567	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	2.4	173.1	69.5	-15.5	0	0	0	113.6	G162 K166	G162-D164 PolarHBondContact O-N 2.72Å; D164-K166 VanDerWaalsContact C-N 3.25Å; D164-K166 PolarHBondContact O-N 3.5Å; D164-K166 WeakPolarHBondContact OD1-CB 3.43Å; D164-K166 PolarHBondContact OD1-N 2.78Å; D164-K166 WeakPolarHBondContact OD2-CD 3.49Å; D164-K166 WeakPolarHBondContact OD2-CE 3.44Å; D164-K166 WeakPolarHBondContact OD2-CG 3.39Å; D164-K166 IonicContact OD2-NZ 2.63Å
165	G	88.5	Confident	93.8	Very high	47 Å²	47	44.1 Å²	44.1	49%	0.485	25%	0.248	S	C	.	.	S	Bend	trans	79.4	-2	-178.2	0	0	0	0	0	114.6	G162 E163	G162-G165 PolarHBondContact O-N 3.42Å; E163-G165 PolarHBondContact O-N 2.86Å
166	K	90.2	Very high	93.3	Very high	142 Å²	142	43.3 Å²	43.3	62%	0.617	24%	0.239	S	C	*	.			trans	-77.9	145.1	-179.3	-64.4	-175	-166.2	163.5	0	111.8	G162 D164	G162-K166 PolarHBondContact N-O 3.3Å; D164-K166 VanDerWaalsContact C-N 3.25Å; D164-K166 PolarHBondContact O-N 3.5Å; D164-K166 WeakPolarHBondContact OD1-CB 3.43Å; D164-K166 PolarHBondContact OD1-N 2.78Å; D164-K166 WeakPolarHBondContact OD2-CD 3.49Å; D164-K166 WeakPolarHBondContact OD2-CE 3.44Å; D164-K166 WeakPolarHBondContact OD2-CG 3.39Å; D164-K166 IonicContact OD2-NZ 2.63Å
167	S	96.3	Very high	92.8	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.063	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	137.9	176.3	-53.1	0	0	0	0	111.2	E127 T130 R159 Q160	E127-S167 WeakPolarHBondContact OE1-CB 3.49Å; E127-S167 PolarHBondContact OE1-OG 3.18Å; E127-S167 PolarHBondContact OE2-OG 3.37Å; T130-S167 VanDerWaalsContact CG2-O 3.28Å; T130-S167 WeakPolarHBondContact CG2-O 3.5Å; R159-S167 VanDerWaalsContact CZ-OG 3.26Å; R159-S167 PolarHBondContact NE-OG 3.04Å; R159-S167 PolarHBondContact NH2-OG 3.18Å; Q160-S167 CarbonylContact O-C 3.51Å; Q160-S167 WeakPolarHBondContact O-CA 3.4Å
168	V	97.6	Very high	92	Very high	55 Å²	55	44.2 Å²	44.2	33%	0.333	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.3	162.9	179.3	0	0	0	0	107.9	Q160 K170	Q160-V168 PolarHBondContact N-O 3.26Å; Q160-V168 PolarHBondContact O-N 3.04Å; V168-K170 HydrophobicContact CG1-CG 4.49Å
169	Y	98.5	Very high	91.2	Very high	2 Å²	2	45 Å²	45	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.3	-179.7	-65.9	-88.4	0	0	0	111.9	N83 L110 L113 E127 T130 V131 C134 I157 M158 R159	N83-Y169 WeakPolarHBondContact CA-O 3.48Å; N83-Y169 WeakPolarHBondContact CB-O 3.44Å; N83-Y169 PolarHBondContact ND2-O 3.46Å; L110-Y169 HydrophobicContact CB-CE1 4.28Å; L110-Y169 HydrophobicContact CD1-CE1 3.96Å; L113-Y169 WeakPolarHBondContact CD2-OH 3.48Å; E127-Y169 VanDerWaalsContact OE1-CE2 3.28Å; E127-Y169 WeakPolarHBondContact OE1-CE2 3.44Å; E127-Y169 VanDerWaalsContact OE1-CZ 3.25Å; E127-Y169 PolarHBondContact OE1-OH 2.95Å; T130-Y169 HydrophobicContact CG2-CD2 4.17Å; T130-Y169 HydrophobicContact CG2-CE2 4.13Å; V131-Y169 HydrophobicContact CB-CD2 4.41Å; V131-Y169 HydrophobicContact CB-CE2 4.37Å; V131-Y169 HydrophobicContact CG2-CD1 4.28Å; V131-Y169 HydrophobicContact CG2-CD2 3.76Å; V131-Y169 HydrophobicContact CG2-CE1 3.88Å; V131-Y169 HydrophobicContact CG2-CE2 3.35Å; V131-Y169 HydrophobicContact CG2-CG 4.2Å; C134-Y169 HydrophobicContact CB-CD2 4.46Å; C134-Y169 PolarHBondContact SG-N 3.27Å; C134-Y169 VanDerWaalsContact SG-N 3.42Å; I157-Y169 HydrophobicContact CG2-CD1 3.86Å; I157-Y169 HydrophobicContact CG2-CG 4.31Å; M158-Y169 CarbonylContact O-C 3.19Å; M158-Y169 VanDerWaalsContact O-CA 3.23Å; M158-Y169 WeakPolarHBondContact O-CA 3.37Å; R159-Y169 HydrophobicContact CB-CD1 3.99Å; R159-Y169 HydrophobicContact CB-CE1 3.73Å; R159-Y169 HydrophobicContact CG-CD1 4.29Å; R159-Y169 HydrophobicContact CG-CE1 3.78Å
170	K	98.6	Very high	89.8	Confident	21 Å²	21	46.3 Å²	46.3	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	131	-171	-61.8	176	175.2	-106.6	0	111.7	S82 N83 V85 E103 I157 M158 V168	S82-K170 VanDerWaalsContact O-CE 3.25Å; S82-K170 WeakPolarHBondContact O-CE 3.37Å; S82-K170 WeakPolarHBondContact O-CG 3.2Å; S82-K170 PolarHBondContact O-NZ 3.07Å; N83-K170 CarbonylContact O-C 3.58Å; N83-K170 VanDerWaalsContact O-CA 3.32Å; N83-K170 WeakPolarHBondContact O-CA 3.33Å; V85-K170 HydrophobicContact CG2-CB 3.76Å; V85-K170 HydrophobicContact CG2-CD 4.44Å; E103-K170 VanDerWaalsContact CD-NZ 3.29Å; E103-K170 WeakPolarHBondContact OE1-CE 3.49Å; E103-K170 IonicContact OE1-NZ 3.38Å; E103-K170 PolarHBondContact OE1-NZ 3.4Å; E103-K170 WeakPolarHBondContact OE2-CE 3.42Å; E103-K170 IonicContact OE2-NZ 2.94Å; E103-K170 PolarHBondContact OE2-NZ 3.48Å; I157-K170 CarbonylContact C-O 3.57Å; I157-K170 WeakPolarHBondContact CA-O 3.37Å; M158-K170 HydrophobicContact CB-CB 4.49Å; M158-K170 PolarHBondContact N-O 2.97Å; M158-K170 PolarHBondContact O-N 3.26Å; V168-K170 HydrophobicContact CG1-CG 4.49Å
171	L	98.3	Very high	88.1	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.2	172.3	-57.3	176.4	0	0	0	110.8	N83 I84 V85 M139 L142 I157 F174	N83-L171 PolarHBondContact O-N 3.4Å; I84-L171 HydrophobicContact CD1-CB 4.01Å; I84-L171 HydrophobicContact CD1-CD1 4.1Å; I84-L171 HydrophobicContact CD1-CG 4.39Å; V85-L171 PolarHBondContact N-O 2.75Å; M139-L171 HydrophobicContact SD-CD1 3.95Å; L142-L171 HydrophobicContact CD1-CD1 3.88Å; L142-L171 HydrophobicContact CG-CD1 4.49Å; I157-L171 HydrophobicContact CG1-CD2 3.91Å; L171-F174 HydrophobicContact CB-CZ 4.17Å
172	T	95.2	Very high	86.3	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.098	29%	0.286	C	S	.	.			trans	-144.9	175	177.4	-162.8	0	0	0	0	111.6	H149 N156 M158	H149-T172 PolarHBondContact CE1-O 3.43Å; H149-T172 PolarHBondContact NE2-O 2.94Å; N156-T172 PolarHBondContact O-N 3.49Å; M158-T172 HydrophobicContact CG-CG2 3.55Å; M158-T172 HydrophobicContact SD-CG2 3.87Å
173	D	90.5	Very high	84.1	Confident	42 Å²	42	59.6 Å²	59.6	23%	0.225	31%	0.313	C	S	.	.			trans	65	65.8	178.3	-160.3	11.2	0	0	0	113.9	K55 H149 G175	K55-D173 IonicContact NZ-OD1 3.67Å; K55-D173 PolarHBondContact NZ-OD1 3.19Å; H149-D173 PolarHBondContact CE1-O 2.77Å; H149-D173 VanDerWaalsContact CE1-O 3.24Å; D173-G175 PolarHBondContact O-N 3.31Å
174	F	90.6	Very high	82.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-80.5	15.3	178.7	-65.5	-91.9	0	0	0	113.3	E72 M75 L76 L79 I84 L142 H149 L171 A176 A177	E72-F174 HydrophobicContact CG-CB 4.11Å; M75-F174 HydrophobicContact CB-CB 3.97Å; M75-F174 HydrophobicContact CB-CG 4.43Å; L76-F174 HydrophobicContact CD2-CD2 3.41Å; L76-F174 VanDerWaalsContact CD2-CD2 3.41Å; L76-F174 HydrophobicContact CD2-CE2 3.64Å; L76-F174 HydrophobicContact CD2-CG 4.37Å; L76-F174 HydrophobicContact CG-CD2 3.88Å; L79-F174 HydrophobicContact CD1-CD1 3.91Å; L79-F174 HydrophobicContact CD1-CE1 3.56Å; L79-F174 HydrophobicContact CD1-CZ 3.95Å; I84-F174 HydrophobicContact CD1-CZ 4.02Å; I84-F174 HydrophobicContact CG2-CE2 3.82Å; I84-F174 HydrophobicContact CG2-CZ 3.78Å; L142-F174 HydrophobicContact CD1-CE1 4.26Å; L142-F174 HydrophobicContact CD2-CE1 3.75Å; L142-F174 HydrophobicContact CD2-CZ 4.33Å; H149-F174 AromaticContact CD2-CE1 3.63Å; L171-F174 HydrophobicContact CB-CZ 4.17Å; F174-A176 PolarHBondContact O-N 2.83Å; F174-A176 VanDerWaalsContact O-N 3.16Å; F174-A177 HydrophobicContact CB-CB 3.92Å; F174-A177 HydrophobicContact CD1-CB 3.8Å; F174-A177 HydrophobicContact CG-CB 4.37Å; F174-A177 WeakPolarHBondContact O-CB 3.38Å; F174-A177 PolarHBondContact O-N 3.27Å
175	G	84.9	Confident	80	Confident	20 Å²	20	59 Å²	59	21%	0.206	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-61	-23.9	178.2	0	0	0	0	0	113.7	D173	D173-G175 PolarHBondContact O-N 3.31Å
176	A	82.4	Confident	78.2	Confident	6 Å²	6	58.5 Å²	58.5	5%	0.05	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-97.2	-4.1	173	0	0	0	0	0	113.6	H149 R150 D151 F174 Y190	H149-A176 CarbonylContact O-C 3.59Å; R150-A176 HydrophobicContact CB-CB 4.44Å; R150-A176 PolarHBondContact NE-O 3.17Å; R150-A176 PolarHBondContact NH2-O 3.09Å; D151-A176 HydrophobicContact CB-CB 4.2Å; F174-A176 PolarHBondContact O-N 2.83Å; F174-A176 VanDerWaalsContact O-N 3.16Å; A176-Y190 HydrophobicContact CB-CD1 4.42Å; A176-Y190 HydrophobicContact CB-CD2 4.18Å; A176-Y190 HydrophobicContact CB-CG 3.89Å
177	A	85.9	Confident	76.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.			trans	-74.9	154	-172	0	0	0	0	0	113.7	R71 M75 V147 V148 F174	R71-A177 WeakPolarHBondContact CD-O 3.48Å; M75-A177 HydrophobicContact CG-CB 4.15Å; M75-A177 HydrophobicContact SD-CB 4.46Å; V147-A177 HydrophobicContact CG1-CB 4.12Å; V148-A177 CarbonylContact O-C 3.48Å; V148-A177 WeakPolarHBondContact O-CA 3.35Å; V148-A177 WeakPolarHBondContact O-CB 3.49Å; F174-A177 HydrophobicContact CB-CB 3.92Å; F174-A177 HydrophobicContact CD1-CB 3.8Å; F174-A177 HydrophobicContact CG-CB 4.37Å; F174-A177 WeakPolarHBondContact O-CB 3.38Å; F174-A177 PolarHBondContact O-N 3.27Å
178	R	81.8	Confident	73.8	Confident	34 Å²	34	57.7 Å²	57.7	13%	0.128	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.3	-179.4	-72.2	-61.8	-160.1	-177.1	17.4	112.1	R71 V147 V148 R150 E184	R71-R178 VanDerWaalsContact NE-CZ 3.25Å; R71-R178 VanDerWaalsContact NH2-NH1 3.16Å; V147-R178 CarbonylContact C-O 3.58Å; V147-R178 WeakPolarHBondContact CA-O 3.43Å; V148-R178 PolarHBondContact N-O 3.35Å; V148-R178 PolarHBondContact O-N 3.07Å; R150-R178 VanDerWaalsContact NH2-CG 3.32Å; R178-E184 IonicContact NH2-OE2 3.89Å; R178-E184 PolarHBondContact NH2-OE2 2.89Å
179	E	80.9	Confident	71.8	Confident	60 Å²	60	59.9 Å²	59.9	28%	0.28	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	146.6	168	-71.8	176.2	-166.3	0	0	110.1	M75 K78 G146 E181 D182	M75-E179 HydrophobicContact CE-CG 4.18Å; K78-E179 IonicContact NZ-OE1 2.81Å; K78-E179 PolarHBondContact NZ-OE1 3.05Å; G146-E179 CarbonylContact O-C 3.51Å; G146-E179 VanDerWaalsContact O-CA 3.32Å; G146-E179 WeakPolarHBondContact O-CA 3.36Å; E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 3.44Å; E179-D182 PolarHBondContact O-N 3.36Å
180	L	68.2	Low	69.9	Low	76 Å²	76	61.9 Å²	61.9	40%	0.398	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.5	-177.9	-80.8	168.6	0	0	0	112.9	G146 V148 D182 V216	G146-L180 WeakPolarHBondContact O-CG 3.38Å; G146-L180 PolarHBondContact O-N 3.03Å; V148-L180 HydrophobicContact CG2-CD2 3.27Å; V148-L180 HydrophobicContact CG2-CG 3.75Å; L180-D182 VanDerWaalsContact C-N 3.29Å; L180-V216 HydrophobicContact CD1-CG1 4.16Å; L180-V216 HydrophobicContact CD2-CG1 3.62Å
181	E	61.6	Low	68.1	Low	177 Å²	177	62.4 Å²	62.4	83%	0.827	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.7	-179	-60.9	-174.6	174.7	0	0	113.2	E179 D183	E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 3.44Å; E181-D183 PolarHBondContact O-N 2.87Å
182	D	55.8	Low	67.1	Low	59 Å²	59	64 Å²	64	32%	0.316	34%	0.335	S	S	.	.			trans	-69.1	95.8	174.6	-77.7	-22.4	0	0	0	109.8	E179 L180 E184	E179-D182 PolarHBondContact O-N 3.36Å; L180-D182 VanDerWaalsContact C-N 3.29Å; D182-E184 PolarHBondContact O-N 3.08Å
183	D	45.1	Very low	66.6	Low	165 Å²	165	65.4 Å²	65.4	88%	0.882	34%	0.34	S	S	*	.			trans	-62.5	1	173	-82.2	-25.1	0	0	0	114	E181 K185	E181-D183 PolarHBondContact O-N 2.87Å; D183-K185 PolarHBondContact O-N 3.47Å
184	E	43.8	Very low	66.5	Low	126 Å²	126	64.3 Å²	64.3	59%	0.589	33%	0.334	S	S	*	.	S	Bend	trans	-62.2	105.8	168.1	-85.5	-160.7	149.2	0	0	109	R178 D182 F186	R178-E184 IonicContact NH2-OE2 3.89Å; R178-E184 PolarHBondContact NH2-OE2 2.89Å; D182-E184 PolarHBondContact O-N 3.08Å; E184-F186 PolarHBondContact O-N 2.96Å
185	K	45.7	Very low	66.7	Low	179 Å²	179	65.2 Å²	65.2	78%	0.778	34%	0.337	S	S	*	.			trans	-32.6	112.6	159.2	-67.5	178.2	-177.7	175.8	0	107.5	D183 V187	D183-K185 PolarHBondContact O-N 3.47Å; K185-V187 HydrophobicContact CB-CG2 4.12Å; K185-V187 WeakPolarHBondContact O-CG2 3.42Å; K185-V187 PolarHBondContact O-N 3.47Å
186	F	50.1	Low	66.9	Low	36 Å²	36	64.5 Å²	64.5	16%	0.158	33%	0.329	C	S	.	.			trans	-61.6	77.4	-169.6	-62.7	-87.4	0	0	0	112.3	E184 R203 Y214	E184-F186 PolarHBondContact O-N 2.96Å; F186-R203 PolarHBondContact O-NH1 2.87Å; F186-Y214 HydrophobicContact CB-CD2 3.46Å; F186-Y214 VanDerWaalsContact CB-CD2 3.46Å; F186-Y214 HydrophobicContact CB-CE2 4.1Å; F186-Y214 HydrophobicContact CB-CG 4.47Å; F186-Y214 HydrophobicContact CD2-CD2 4.29Å; F186-Y214 WeakPolarHBondContact CE2-O 3.29Å; F186-Y214 AromaticContact CG-CD2 4Å; F186-Y214 HydrophobicContact CG-CD2 4Å; F186-Y214 WeakPolarHBondContact CZ-O 3.24Å
187	V	45.7	Very low	67.2	Low	96 Å²	96	64.4 Å²	64.4	58%	0.582	33%	0.327	S	S	*	.			trans	-82.5	-23.8	-165.2	178.7	0	0	0	0	113.6	K185 R203	K185-V187 HydrophobicContact CB-CG2 4.12Å; K185-V187 WeakPolarHBondContact O-CG2 3.42Å; K185-V187 PolarHBondContact O-N 3.47Å; V187-R203 VanDerWaalsContact CA-NH2 3.25Å
188	S	49.3	Very low	67.4	Low	38 Å²	38	64.4 Å²	64.4	27%	0.266	33%	0.327	S	S	.	.			trans	-79.4	130.1	-170.4	60.3	0	0	0	0	114	Y190	S188-Y190 WeakPolarHBondContact OG-CD2 3.13Å; S188-Y190 WeakPolarHBondContact OG-CE2 3.41Å
189	I	54.3	Low	67.5	Low	102 Å²	102	63.4 Å²	63.4	52%	0.523	33%	0.325	S	S	.	.			trans	-81.3	111.3	177.3	-60.8	172.1	0	0	0	109.9	A204	I189-A204 HydrophobicContact CG2-CB 3.63Å
190	Y	58.9	Low	67.6	Low	43 Å²	43	61.1 Å²	61.1	17%	0.169	31%	0.314	C	S	.	.			trans	-139.2	158.9	173.2	-61.1	-68.9	0	0	0	110.8	R71 A176 S188	R71-Y190 PolarHBondContact NH1-OH 3.31Å; A176-Y190 HydrophobicContact CB-CD1 4.42Å; A176-Y190 HydrophobicContact CB-CD2 4.18Å; A176-Y190 HydrophobicContact CB-CG 3.89Å; S188-Y190 WeakPolarHBondContact OG-CD2 3.13Å; S188-Y190 WeakPolarHBondContact OG-CE2 3.41Å
191	G	60.9	Low	68.4	Low	32 Å²	32	57.6 Å²	57.6	33%	0.33	30%	0.295	S	S	.	.	S	Bend	trans	118.4	159.6	171.3	0	0	0	0	0	115.1	D151	D151-G191 WeakPolarHBondContact OD1-CA 3.3Å
192	T	76.9	Confident	69.6	Low	36 Å²	36	50.2 Å²	50.2	22%	0.221	26%	0.261	C	S	.	.			trans	-88.6	123.6	172.3	-72.8	0	0	0	0	110.6	D151 K153 E194 Y195 L196	D151-T192 PolarHBondContact OD1-N 3.32Å; K153-T192 HydrophobicContact CD-CG2 4.2Å; K153-T192 WeakPolarHBondContact CD-OG1 3.32Å; K153-T192 VanDerWaalsContact CE-OG1 3.31Å; K153-T192 WeakPolarHBondContact CE-OG1 3.49Å; K153-T192 PolarHBondContact NZ-OG1 3.02Å; T192-E194 WeakPolarHBondContact CG2-OE2 3.42Å; T192-E194 PolarHBondContact O-N 3.41Å; T192-Y195 HydrophobicContact CG2-CD2 3.79Å; T192-Y195 HydrophobicContact CG2-CE2 4.11Å; T192-Y195 PolarHBondContact O-N 2.91Å; T192-L196 PolarHBondContact O-N 2.97Å
193	E	85.2	Confident	70.8	Confident	46 Å²	46	49.8 Å²	49.8	22%	0.215	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-45.2	-39.3	-168.5	-62.1	-172.1	170.2	0	0	113.8	Y195 Y201 V205 K247	E193-Y195 VanDerWaalsContact C-N 3.34Å; E193-Y195 PolarHBondContact O-N 3.35Å; E193-Y201 HydrophobicContact CB-CE2 4.07Å; E193-Y201 WeakPolarHBondContact O-CD2 3.45Å; E193-Y201 VanDerWaalsContact O-CE2 3.31Å; E193-Y201 WeakPolarHBondContact O-CE2 3.32Å; E193-V205 HydrophobicContact CG-CG2 3.94Å; E193-K247 IonicContact OE1-NZ 2.76Å; E193-K247 PolarHBondContact OE1-NZ 3.39Å; E193-K247 WeakPolarHBondContact OE2-CE 3.45Å; E193-K247 IonicContact OE2-NZ 3.68Å
194	E	89.4	Confident	72.3	Confident	20 Å²	20	42.7 Å²	42.7	9%	0.093	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-74.3	-17.2	-174.7	-55.8	93.1	150.9	0	0	115.1	T192 L235 P243 R244	T192-E194 WeakPolarHBondContact CG2-OE2 3.42Å; T192-E194 PolarHBondContact O-N 3.41Å; E194-L235 HydrophobicContact CB-CD1 3.8Å; E194-L235 HydrophobicContact CB-CD2 4.16Å; E194-L235 HydrophobicContact CG-CD1 3.82Å; E194-P243 HydrophobicContact CG-CB 4.03Å; E194-P243 HydrophobicContact CG-CG 3.47Å; E194-P243 VanDerWaalsContact CG-CG 3.47Å; E194-R244 IonicContact OE1-CZ 2.77Å; E194-R244 IonicContact OE1-NE 2.89Å; E194-R244 PolarHBondContact OE1-NE 3.05Å; E194-R244 IonicContact OE1-NH2 2.86Å; E194-R244 PolarHBondContact OE1-NH2 3.49Å; E194-R244 IonicContact OE2-NE 3.63Å; E194-R244 IonicContact OE2-NH2 3.34Å
195	Y	93	Very high	74.1	Confident	18 Å²	18	37.8 Å²	37.8	7%	0.071	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-114	-1.4	-175.3	-59.2	-95.6	0	0	0	112.9	K153 P154 T192 E193 S222 V225 H229 L235	K153-Y195 HydrophobicContact CB-CD1 4.08Å; K153-Y195 HydrophobicContact CB-CD2 3.92Å; K153-Y195 HydrophobicContact CB-CE1 4.33Å; K153-Y195 HydrophobicContact CB-CE2 4.17Å; K153-Y195 HydrophobicContact CB-CG 3.88Å; P154-Y195 VanDerWaalsContact CD-CZ 3.46Å; P154-Y195 WeakPolarHBondContact CD-OH 3.09Å; P154-Y195 HydrophobicContact CG-CE1 4Å; T192-Y195 HydrophobicContact CG2-CD2 3.79Å; T192-Y195 HydrophobicContact CG2-CE2 4.11Å; T192-Y195 PolarHBondContact O-N 2.91Å; E193-Y195 VanDerWaalsContact C-N 3.34Å; E193-Y195 PolarHBondContact O-N 3.35Å; Y195-S222 WeakPolarHBondContact O-CA 3.4Å; Y195-S222 PolarHBondContact O-OG 3.46Å; Y195-V225 HydrophobicContact CD1-CB 3.91Å; Y195-V225 HydrophobicContact CD1-CG1 3.4Å; Y195-V225 HydrophobicContact CE1-CG1 3.76Å; Y195-V225 HydrophobicContact CG-CG1 4.1Å; Y195-H229 AromaticContact CZ-ND1 3.9Å; Y195-H229 PolarHBondContact OH-CE1 2.87Å; Y195-H229 PolarHBondContact OH-ND1 2.74Å; Y195-L235 HydrophobicContact CE1-CD2 4.16Å; Y195-L235 HydrophobicContact CE2-CD2 4.34Å
196	L	89.5	Confident	75.9	Confident	6 Å²	6	31.3 Å²	31.3	3%	0.031	17%	0.171	C	C	.	.			trans	-72.1	139.3	-176.9	-78.1	178	0	0	0	111.7	T192 M200 Y201 A204 V205 W221	T192-L196 PolarHBondContact O-N 2.97Å; L196-M200 HydrophobicContact CD2-CB 4.18Å; L196-M200 HydrophobicContact CD2-CE 3.83Å; L196-M200 HydrophobicContact CD2-SD 4.36Å; L196-Y201 HydrophobicContact CB-CD2 4.22Å; L196-Y201 HydrophobicContact CD1-CD2 4.47Å; L196-A204 HydrophobicContact CD1-CB 4.15Å; L196-V205 HydrophobicContact CD1-CG2 4.2Å; L196-W221 PolarHBondContact O-NE1 3.26Å
197	H	90	Very high	77.3	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.014	20%	0.203	C	C	.	.			trans	-56.6	141.5	165.5	-176.2	-82.1	0	0	0	110.4	D199 M200 Y201 V218 W221	H197-D199 VanDerWaalsContact C-N 3.34Å; H197-D199 IonicContact CE1-OD2 3.26Å; H197-D199 PolarHBondContact CE1-OD2 3.4Å; H197-D199 PolarHBondContact ND1-N 3.24Å; H197-D199 VanDerWaalsContact ND1-N 3.13Å; H197-D199 IonicContact ND1-OD2 2.71Å; H197-D199 PolarHBondContact O-N 3.25Å; H197-M200 HydrophobicContact CB-CB 4.44Å; H197-M200 CarbonylContact O-C 3.59Å; H197-M200 WeakPolarHBondContact O-CA 3.5Å; H197-M200 WeakPolarHBondContact O-CB 3.34Å; H197-M200 PolarHBondContact O-N 3.07Å; H197-Y201 PolarHBondContact O-N 2.95Å; H197-V218 HydrophobicContact CB-CG2 4.19Å; H197-W221 HydrophobicContact CB-CB 4.22Å; H197-W221 HydrophobicContact CB-CG 4.17Å
198	P	88.6	Confident	78.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-52.3	-44.9	-176.8	10.8	-25.1	0	0	0	114	M200 Y201 E202 W221 Y251 T255 A303	P198-M200 VanDerWaalsContact C-N 3.28Å; P198-M200 PolarHBondContact O-N 2.95Å; P198-Y201 WeakPolarHBondContact O-CB 3.4Å; P198-Y201 PolarHBondContact O-N 3.48Å; P198-Y201 VanDerWaalsContact O-N 3.15Å; P198-E202 PolarHBondContact O-N 2.93Å; P198-W221 HydrophobicContact CG-CH2 4.16Å; P198-W221 HydrophobicContact CG-CZ2 4.41Å; P198-W221 HydrophobicContact CG-CZ3 4.23Å; P198-Y251 WeakPolarHBondContact O-CE2 3.4Å; P198-T255 HydrophobicContact CB-CG2 3.65Å; P198-A303 HydrophobicContact CG-CB 3.7Å
199	D	84.6	Confident	79.7	Confident	13 Å²	13	44.3 Å²	44.3	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-31.3	177.1	-63.6	-21.1	0	0	0	112.9	H197 Y214 Q305	H197-D199 VanDerWaalsContact C-N 3.34Å; H197-D199 IonicContact CE1-OD2 3.26Å; H197-D199 PolarHBondContact CE1-OD2 3.4Å; H197-D199 PolarHBondContact ND1-N 3.24Å; H197-D199 VanDerWaalsContact ND1-N 3.13Å; H197-D199 IonicContact ND1-OD2 2.71Å; H197-D199 PolarHBondContact O-N 3.25Å; D199-Y214 HydrophobicContact CB-CD1 4.31Å; D199-Y214 HydrophobicContact CB-CE1 3.7Å; D199-Y214 WeakPolarHBondContact O-CE1 3.48Å; D199-Y214 PolarHBondContact O-OH 3.3Å; D199-Q305 PolarHBondContact OD2-NE2 3.4Å
200	M	82.6	Confident	80	Confident	11 Å²	11	41.6 Å²	41.6	5%	0.054	21%	0.208	C	C	.	.	H	α-helix	trans	-76.5	-38.5	173.3	-77.1	-172.8	68	0	0	111.2	L196 H197 P198 E202 R203 A204 Y214 V218	L196-M200 HydrophobicContact CD2-CB 4.18Å; L196-M200 HydrophobicContact CD2-CE 3.83Å; L196-M200 HydrophobicContact CD2-SD 4.36Å; H197-M200 HydrophobicContact CB-CB 4.44Å; H197-M200 CarbonylContact O-C 3.59Å; H197-M200 WeakPolarHBondContact O-CA 3.5Å; H197-M200 WeakPolarHBondContact O-CB 3.34Å; H197-M200 PolarHBondContact O-N 3.07Å; P198-M200 VanDerWaalsContact C-N 3.28Å; P198-M200 PolarHBondContact O-N 2.95Å; M200-E202 PolarHBondContact O-N 3.28Å; M200-R203 PolarHBondContact O-N 3.49Å; M200-A204 WeakPolarHBondContact O-CB 3.42Å; M200-A204 PolarHBondContact O-N 3.39Å; M200-Y214 HydrophobicContact CB-CE1 4.42Å; M200-Y214 HydrophobicContact CG-CD1 3.71Å; M200-Y214 HydrophobicContact CG-CD2 4.25Å; M200-Y214 HydrophobicContact CG-CE1 3.64Å; M200-Y214 HydrophobicContact CG-CE2 4.23Å; M200-Y214 HydrophobicContact CG-CG 4.05Å; M200-V218 HydrophobicContact CE-CG1 4.44Å; M200-V218 HydrophobicContact CG-CG2 4.09Å; M200-V218 HydrophobicContact SD-CB 4.01Å; M200-V218 HydrophobicContact SD-CG1 3.16Å; M200-V218 WeakPolarHBondContact SD-CG1 3.33Å; M200-V218 HydrophobicContact SD-CG2 3.59Å; M200-V218 VanDerWaalsContact SD-CG2 3.59Å
201	Y	85.9	Confident	79.8	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-43.9	177.8	-168.3	-81.2	0	0	0	111.4	E193 L196 H197 P198 R203 A204 V205 L206 K247 M250 Y251	E193-Y201 HydrophobicContact CB-CE2 4.07Å; E193-Y201 WeakPolarHBondContact O-CD2 3.45Å; E193-Y201 VanDerWaalsContact O-CE2 3.31Å; E193-Y201 WeakPolarHBondContact O-CE2 3.32Å; L196-Y201 HydrophobicContact CB-CD2 4.22Å; L196-Y201 HydrophobicContact CD1-CD2 4.47Å; H197-Y201 PolarHBondContact O-N 2.95Å; P198-Y201 WeakPolarHBondContact O-CB 3.4Å; P198-Y201 PolarHBondContact O-N 3.48Å; P198-Y201 VanDerWaalsContact O-N 3.15Å; Y201-R203 VanDerWaalsContact C-N 3.3Å; Y201-R203 PolarHBondContact O-N 2.81Å; Y201-A204 PolarHBondContact O-N 3.39Å; Y201-V205 HydrophobicContact CD1-CB 4Å; Y201-V205 HydrophobicContact CD1-CG2 4.35Å; Y201-V205 HydrophobicContact CD2-CB 4.34Å; Y201-V205 HydrophobicContact CD2-CG2 3.82Å; Y201-V205 HydrophobicContact CE1-CB 3.84Å; Y201-V205 HydrophobicContact CE1-CG1 3.84Å; Y201-V205 HydrophobicContact CE1-CG2 4.35Å; Y201-V205 HydrophobicContact CE2-CB 4.2Å; Y201-V205 HydrophobicContact CE2-CG1 4.22Å; Y201-V205 HydrophobicContact CE2-CG2 3.83Å; Y201-V205 HydrophobicContact CG-CB 4.25Å; Y201-V205 HydrophobicContact CG-CG2 4.09Å; Y201-V205 WeakPolarHBondContact O-CA 3.47Å; Y201-V205 VanDerWaalsContact O-CB 3.27Å; Y201-V205 WeakPolarHBondContact O-CB 3.31Å; Y201-V205 PolarHBondContact O-N 3.04Å; Y201-L206 HydrophobicContact CD1-CG 4.46Å; Y201-L206 HydrophobicContact CE1-CD2 4.39Å; Y201-L206 HydrophobicContact CE1-CG 4.4Å; Y201-L206 PolarHBondContact O-N 3.48Å; Y201-K247 WeakPolarHBondContact CE1-O 3.45Å; Y201-K247 WeakPolarHBondContact OH-CA 3.44Å; Y201-K247 WeakPolarHBondContact OH-CB 3.38Å; Y201-K247 PolarHBondContact OH-O 3.31Å; Y201-M250 HydrophobicContact CE2-CG 3.95Å; Y201-Y251 HydrophobicContact CD1-CD2 4.14Å
202	E	85.9	Confident	79.7	Confident	22 Å²	22	52.9 Å²	52.9	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-44.5	177.1	-165.3	178.1	-150.4	0	0	112.1	P198 M200 L206 R207 K208 H210 Y251	P198-E202 PolarHBondContact O-N 2.93Å; M200-E202 PolarHBondContact O-N 3.28Å; E202-L206 HydrophobicContact CG-CD1 4.38Å; E202-L206 CarbonylContact O-C 3.6Å; E202-L206 WeakPolarHBondContact O-CA 3.35Å; E202-L206 VanDerWaalsContact O-CB 3.28Å; E202-L206 WeakPolarHBondContact O-CB 3.35Å; E202-L206 PolarHBondContact O-N 3.01Å; E202-R207 PolarHBondContact O-N 3.36Å; E202-K208 HydrophobicContact CG-CB 4.06Å; E202-K208 HydrophobicContact CG-CD 3.8Å; E202-K208 HydrophobicContact CG-CG 4.39Å; E202-K208 PolarHBondContact O-N 3Å; E202-K208 WeakPolarHBondContact OE1-CD 3.35Å; E202-K208 IonicContact OE1-NZ 3.68Å; E202-K208 PolarHBondContact OE1-NZ 2.97Å; E202-H210 IonicContact OE2-CE1 3.78Å; E202-H210 PolarHBondContact OE2-CE1 3.04Å; E202-H210 VanDerWaalsContact OE2-CE1 3.26Å; E202-H210 IonicContact OE2-CG 3.16Å; E202-H210 IonicContact OE2-ND1 3.93Å; E202-H210 PolarHBondContact OE2-ND1 3.39Å; E202-Y251 HydrophobicContact CB-CD2 4.22Å; E202-Y251 HydrophobicContact CB-CE2 3.53Å; E202-Y251 HydrophobicContact CG-CE1 4.48Å; E202-Y251 HydrophobicContact CG-CE2 3.99Å; E202-Y251 PolarHBondContact OE1-OH 3.18Å; E202-Y251 PolarHBondContact OE2-OH 2.84Å
203	R	80.5	Confident	78.9	Confident	50 Å²	50	55.3 Å²	55.3	19%	0.189	27%	0.271	C	S	.	.	H	α-helix	trans	-73.8	-51.2	179.7	-176.9	-175.5	-175.3	134.1	22.4	112.4	F186 V187 M200 Y201 R207 Y214	F186-R203 PolarHBondContact O-NH1 2.87Å; V187-R203 VanDerWaalsContact CA-NH2 3.25Å; M200-R203 PolarHBondContact O-N 3.49Å; Y201-R203 VanDerWaalsContact C-N 3.3Å; Y201-R203 PolarHBondContact O-N 2.81Å; R203-R207 VanDerWaalsContact O-CA 3.29Å; R203-R207 WeakPolarHBondContact O-CA 3.36Å; R203-R207 PolarHBondContact O-N 3.32Å; R203-Y214 VanDerWaalsContact CB-OH 3.28Å; R203-Y214 WeakPolarHBondContact CB-OH 3.35Å; R203-Y214 WeakPolarHBondContact CD-OH 3.47Å
204	A	78.1	Confident	77.9	Confident	17 Å²	17	54 Å²	54	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-71.6	-41.5	-172	0	0	0	0	0	112.7	I189 L196 M200 Y201	I189-A204 HydrophobicContact CG2-CB 3.63Å; L196-A204 HydrophobicContact CD1-CB 4.15Å; M200-A204 WeakPolarHBondContact O-CB 3.42Å; M200-A204 PolarHBondContact O-N 3.39Å; Y201-A204 PolarHBondContact O-N 3.39Å
205	V	82	Confident	76.9	Confident	22 Å²	22	54.4 Å²	54.4	13%	0.133	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-44.8	-168.7	-175.1	0	0	0	0	111.3	E193 L196 Y201 R207 K247	E193-V205 HydrophobicContact CG-CG2 3.94Å; L196-V205 HydrophobicContact CD1-CG2 4.2Å; Y201-V205 HydrophobicContact CD1-CB 4Å; Y201-V205 HydrophobicContact CD1-CG2 4.35Å; Y201-V205 HydrophobicContact CD2-CB 4.34Å; Y201-V205 HydrophobicContact CD2-CG2 3.82Å; Y201-V205 HydrophobicContact CE1-CB 3.84Å; Y201-V205 HydrophobicContact CE1-CG1 3.84Å; Y201-V205 HydrophobicContact CE1-CG2 4.35Å; Y201-V205 HydrophobicContact CE2-CB 4.2Å; Y201-V205 HydrophobicContact CE2-CG1 4.22Å; Y201-V205 HydrophobicContact CE2-CG2 3.83Å; Y201-V205 HydrophobicContact CG-CB 4.25Å; Y201-V205 HydrophobicContact CG-CG2 4.09Å; Y201-V205 WeakPolarHBondContact O-CA 3.47Å; Y201-V205 VanDerWaalsContact O-CB 3.27Å; Y201-V205 WeakPolarHBondContact O-CB 3.31Å; Y201-V205 PolarHBondContact O-N 3.04Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-K247 HydrophobicContact CG1-CB 4.32Å; V205-K247 HydrophobicContact CG1-CD 3.62Å; V205-K247 HydrophobicContact CG1-CG 4.1Å
206	L	82.1	Confident	75.9	Confident	43 Å²	43	55.4 Å²	55.4	23%	0.225	28%	0.281	C	S	.	.	S	Bend	trans	-85.8	-7.1	177.9	-51.9	-177.3	0	0	0	113.2	Y201 E202 K208 K247 Y251	Y201-L206 HydrophobicContact CD1-CG 4.46Å; Y201-L206 HydrophobicContact CE1-CD2 4.39Å; Y201-L206 HydrophobicContact CE1-CG 4.4Å; Y201-L206 PolarHBondContact O-N 3.48Å; E202-L206 HydrophobicContact CG-CD1 4.38Å; E202-L206 CarbonylContact O-C 3.6Å; E202-L206 WeakPolarHBondContact O-CA 3.35Å; E202-L206 VanDerWaalsContact O-CB 3.28Å; E202-L206 WeakPolarHBondContact O-CB 3.35Å; E202-L206 PolarHBondContact O-N 3.01Å; L206-K208 HydrophobicContact CB-CG 4.31Å; L206-K208 PolarHBondContact O-N 3.41Å; L206-K247 HydrophobicContact CD2-CB 4.21Å; L206-Y251 HydrophobicContact CD1-CD1 3.77Å; L206-Y251 HydrophobicContact CD1-CD2 4.23Å; L206-Y251 HydrophobicContact CD1-CE1 4.38Å; L206-Y251 HydrophobicContact CD1-CG 3.67Å
207	R	80.4	Confident	75.5	Confident	216 Å²	216	55.9 Å²	55.9	82%	0.815	29%	0.286	S	S	*	.			trans	55.1	31.4	178	-59.5	-175.8	176.5	179.8	-0.9	113.7	E202 R203 V205	E202-R207 PolarHBondContact O-N 3.36Å; R203-R207 VanDerWaalsContact O-CA 3.29Å; R203-R207 WeakPolarHBondContact O-CA 3.36Å; R203-R207 PolarHBondContact O-N 3.32Å; V205-R207 VanDerWaalsContact C-N 3.34Å
208	K	77.6	Confident	75.4	Confident	94 Å²	94	55.9 Å²	55.9	41%	0.409	29%	0.286	S	S	.	.			trans	-86.9	142.5	175.7	-65.8	179	179.1	178.2	0	110.9	E202 L206 H210	E202-K208 HydrophobicContact CG-CB 4.06Å; E202-K208 HydrophobicContact CG-CD 3.8Å; E202-K208 HydrophobicContact CG-CG 4.39Å; E202-K208 PolarHBondContact O-N 3Å; E202-K208 WeakPolarHBondContact OE1-CD 3.35Å; E202-K208 IonicContact OE1-NZ 3.68Å; E202-K208 PolarHBondContact OE1-NZ 2.97Å; L206-K208 HydrophobicContact CB-CG 4.31Å; L206-K208 PolarHBondContact O-N 3.41Å; K208-H210 PolarHBondContact O-N 3.04Å
209	P	66.6	Low	75.5	Confident	133 Å²	133	55.8 Å²	55.8	86%	0.864	29%	0.285	S	S	*	.			trans	-68.3	122.8	173.3	26.8	-30.6	0	0	0	109.3
210	H	62.2	Low	75.9	Confident	45 Å²	45	55.2 Å²	55.2	21%	0.208	28%	0.282	C	S	.	.			trans	-124.9	137	179.8	-152.8	85.4	0	0	0	110.1	E202 K208 K212	E202-H210 IonicContact OE2-CE1 3.78Å; E202-H210 PolarHBondContact OE2-CE1 3.04Å; E202-H210 VanDerWaalsContact OE2-CE1 3.26Å; E202-H210 IonicContact OE2-CG 3.16Å; E202-H210 IonicContact OE2-ND1 3.93Å; E202-H210 PolarHBondContact OE2-ND1 3.39Å; K208-H210 PolarHBondContact O-N 3.04Å; H210-K212 WeakPolarHBondContact NE2-CD 3.48Å; H210-K212 WeakPolarHBondContact NE2-CG 3.33Å
211	Q	53	Low	76.5	Confident	206 Å²	206	54.8 Å²	54.8	96%	0.963	28%	0.28	S	S	*	.			trans	-99.7	-5.1	-172.8	-77	179.9	-12.3	0	0	114.4
212	K	60.4	Low	77	Confident	106 Å²	106	54.8 Å²	54.8	46%	0.461	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-80.1	140.1	-179.7	-63.1	-175.6	-175	175.7	0	112.3	H210	H210-K212 WeakPolarHBondContact NE2-CD 3.48Å; H210-K212 WeakPolarHBondContact NE2-CG 3.33Å
213	S	59	Low	77.5	Confident	88 Å²	88	53.8 Å²	53.8	62%	0.615	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-71.2	139	167.6	48.1	0	0	0	0	110.2
214	Y	64.8	Low	78.4	Confident	17 Å²	17	51.4 Å²	51.4	7%	0.067	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-90.4	134.7	173.1	-58.1	-58.5	0	0	0	109	F186 D199 M200 R203 V218	F186-Y214 HydrophobicContact CB-CD2 3.46Å; F186-Y214 VanDerWaalsContact CB-CD2 3.46Å; F186-Y214 HydrophobicContact CB-CE2 4.1Å; F186-Y214 HydrophobicContact CB-CG 4.47Å; F186-Y214 HydrophobicContact CD2-CD2 4.29Å; F186-Y214 WeakPolarHBondContact CE2-O 3.29Å; F186-Y214 AromaticContact CG-CD2 4Å; F186-Y214 HydrophobicContact CG-CD2 4Å; F186-Y214 WeakPolarHBondContact CZ-O 3.24Å; D199-Y214 HydrophobicContact CB-CD1 4.31Å; D199-Y214 HydrophobicContact CB-CE1 3.7Å; D199-Y214 WeakPolarHBondContact O-CE1 3.48Å; D199-Y214 PolarHBondContact O-OH 3.3Å; M200-Y214 HydrophobicContact CB-CE1 4.42Å; M200-Y214 HydrophobicContact CG-CD1 3.71Å; M200-Y214 HydrophobicContact CG-CD2 4.25Å; M200-Y214 HydrophobicContact CG-CE1 3.64Å; M200-Y214 HydrophobicContact CG-CE2 4.23Å; M200-Y214 HydrophobicContact CG-CG 4.05Å; R203-Y214 VanDerWaalsContact CB-OH 3.28Å; R203-Y214 WeakPolarHBondContact CB-OH 3.35Å; R203-Y214 WeakPolarHBondContact CD-OH 3.47Å; Y214-V218 HydrophobicContact CD1-CG2 4.35Å; Y214-V218 HydrophobicContact CG-CG2 4.42Å
215	G	68.5	Low	79.3	Confident	29 Å²	29	50.6 Å²	50.6	30%	0.299	26%	0.26	S	S	.	.			trans	-117.5	-162.2	178.1	0	0	0	0	0	112.2	S217 V218	G215-S217 PolarHBondContact O-N 3.38Å; G215-S217 VanDerWaalsContact O-N 3.13Å; G215-V218 PolarHBondContact O-N 2.93Å
216	V	72.1	Confident	80.1	Confident	39 Å²	39	49.6 Å²	49.6	24%	0.236	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.7	174.9	-62.5	0	0	0	0	114.2	L180 V218 D219 L220 F311	L180-V216 HydrophobicContact CD1-CG1 4.16Å; L180-V216 HydrophobicContact CD2-CG1 3.62Å; V216-V218 PolarHBondContact O-N 2.87Å; V216-D219 PolarHBondContact O-N 3.45Å; V216-L220 PolarHBondContact O-N 3.06Å; V216-F311 HydrophobicContact CB-CD2 3.7Å; V216-F311 HydrophobicContact CB-CE2 3.34Å; V216-F311 HydrophobicContact CB-CZ 3.93Å; V216-F311 HydrophobicContact CG1-CD2 3.69Å; V216-F311 HydrophobicContact CG1-CE2 3.25Å; V216-F311 HydrophobicContact CG1-CZ 4.2Å; V216-F311 HydrophobicContact CG2-CD2 4.13Å; V216-F311 HydrophobicContact CG2-CE2 4.27Å
217	S	81.1	Confident	80.9	Confident	17 Å²	17	47.5 Å²	47.5	12%	0.119	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-23.7	179.1	54.1	0	0	0	0	113.5	G215 L220 W221	G215-S217 PolarHBondContact O-N 3.38Å; G215-S217 VanDerWaalsContact O-N 3.13Å; S217-L220 PolarHBondContact O-N 3.4Å; S217-W221 PolarHBondContact O-N 3.15Å
218	V	86.9	Confident	81.8	Confident	2 Å²	2	38 Å²	38	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-50.4	175	166.2	0	0	0	0	111.5	H197 M200 Y214 G215 V216 L220 W221 S222	H197-V218 HydrophobicContact CB-CG2 4.19Å; M200-V218 HydrophobicContact CE-CG1 4.44Å; M200-V218 HydrophobicContact CG-CG2 4.09Å; M200-V218 HydrophobicContact SD-CB 4.01Å; M200-V218 HydrophobicContact SD-CG1 3.16Å; M200-V218 WeakPolarHBondContact SD-CG1 3.33Å; M200-V218 HydrophobicContact SD-CG2 3.59Å; M200-V218 VanDerWaalsContact SD-CG2 3.59Å; Y214-V218 HydrophobicContact CD1-CG2 4.35Å; Y214-V218 HydrophobicContact CG-CG2 4.42Å; G215-V218 PolarHBondContact O-N 2.93Å; V216-V218 PolarHBondContact O-N 2.87Å; V218-L220 VanDerWaalsContact C-N 3.31Å; V218-L220 PolarHBondContact O-N 2.9Å; V218-W221 PolarHBondContact O-N 3.03Å; V218-S222 PolarHBondContact O-N 3.35Å; V218-S222 VanDerWaalsContact O-N 3.12Å; V218-S222 PolarHBondContact O-OG 2.95Å
219	D	90.8	Very high	82.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-37.9	-178	-81.4	-6.4	0	0	0	110.4	M139 V148 H149 R150 I152 V216 W221 S222 I223	M139-D219 HydrophobicContact CE-CB 3.88Å; V148-D219 VanDerWaalsContact CG1-OD2 3.28Å; V148-D219 WeakPolarHBondContact CG1-OD2 3.46Å; H149-D219 PolarHBondContact N-OD2 2.97Å; R150-D219 VanDerWaalsContact CA-OD1 3.31Å; R150-D219 WeakPolarHBondContact CA-OD1 3.4Å; R150-D219 PolarHBondContact N-OD1 3.07Å; I152-D219 HydrophobicContact CD1-CB 3.86Å; V216-D219 PolarHBondContact O-N 3.45Å; D219-W221 VanDerWaalsContact C-N 3.35Å; D219-W221 PolarHBondContact O-N 3.49Å; D219-S222 PolarHBondContact O-N 2.96Å; D219-I223 WeakPolarHBondContact O-CB 3.35Å; D219-I223 WeakPolarHBondContact O-CD1 3.16Å; D219-I223 WeakPolarHBondContact O-CG1 3.49Å; D219-I223 PolarHBondContact O-N 3.31Å
220	L	94	Very high	84.3	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-40.8	176	-68.4	-179	0	0	0	112.5	V216 S217 V218 I223 G224 I300 W309 F311 F314	V216-L220 PolarHBondContact O-N 3.06Å; S217-L220 PolarHBondContact O-N 3.4Å; V218-L220 VanDerWaalsContact C-N 3.31Å; V218-L220 PolarHBondContact O-N 2.9Å; L220-I223 HydrophobicContact CD2-CD1 4.46Å; L220-I223 PolarHBondContact O-N 3.17Å; L220-G224 PolarHBondContact O-N 2.99Å; L220-I300 HydrophobicContact CB-CB 4.14Å; L220-I300 HydrophobicContact CB-CG2 4.38Å; L220-I300 HydrophobicContact CD2-CG2 4.46Å; L220-W309 WeakPolarHBondContact CD1-O 3.44Å; L220-F311 HydrophobicContact CD1-CD1 4.44Å; L220-F311 HydrophobicContact CD2-CD1 3.88Å; L220-F311 HydrophobicContact CD2-CE1 3.88Å; L220-F311 HydrophobicContact CG-CD1 4.32Å; L220-F311 HydrophobicContact CG-CE1 4.21Å; L220-F314 HydrophobicContact CD2-CB 3.92Å; L220-F314 HydrophobicContact CD2-CD1 3.75Å; L220-F314 HydrophobicContact CD2-CD2 4.15Å; L220-F314 HydrophobicContact CD2-CE1 4.31Å; L220-F314 HydrophobicContact CD2-CG 3.65Å
221	W	95.3	Very high	86	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-50.1	173.3	179.2	-80	0	0	0	111.7	L196 H197 P198 S217 V218 D219 I223 G224 V225 F237 T254 I300 M301 A303	L196-W221 PolarHBondContact O-NE1 3.26Å; H197-W221 HydrophobicContact CB-CB 4.22Å; H197-W221 HydrophobicContact CB-CG 4.17Å; P198-W221 HydrophobicContact CG-CH2 4.16Å; P198-W221 HydrophobicContact CG-CZ2 4.41Å; P198-W221 HydrophobicContact CG-CZ3 4.23Å; S217-W221 PolarHBondContact O-N 3.15Å; V218-W221 PolarHBondContact O-N 3.03Å; D219-W221 VanDerWaalsContact C-N 3.35Å; D219-W221 PolarHBondContact O-N 3.49Å; W221-I223 VanDerWaalsContact C-N 3.28Å; W221-I223 PolarHBondContact O-N 3.44Å; W221-G224 WeakPolarHBondContact O-CA 3.49Å; W221-G224 PolarHBondContact O-N 3.31Å; W221-V225 WeakPolarHBondContact O-CG2 3.32Å; W221-V225 PolarHBondContact O-N 3.43Å; W221-F237 HydrophobicContact CH2-CE2 4.03Å; W221-F237 HydrophobicContact CH2-CZ 4.34Å; W221-F237 HydrophobicContact CZ2-CD2 4.18Å; W221-F237 AromaticContact CZ2-CE2 3.66Å; W221-F237 HydrophobicContact CZ2-CE2 3.66Å; W221-F237 HydrophobicContact CZ2-CZ 4.41Å; W221-T254 HydrophobicContact CH2-CG2 4.46Å; W221-T254 HydrophobicContact CZ2-CG2 3.84Å; W221-I300 WeakPolarHBondContact CA-O 3.17Å; W221-M301 HydrophobicContact CE3-CB 4.25Å; W221-M301 VanDerWaalsContact CZ3-C 3.48Å; W221-M301 HydrophobicContact CZ3-CB 4.25Å; W221-A303 HydrophobicContact CZ3-CB 4.15Å
222	S	95.4	Very high	88.1	Confident	2 Å²	2	16.5 Å²	16.5	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-36	179.5	-63.8	0	0	0	0	112.5	I152 Y195 V218 D219 T226	I152-S222 WeakPolarHBondContact O-CB 3.33Å; Y195-S222 WeakPolarHBondContact O-CA 3.4Å; Y195-S222 PolarHBondContact O-OG 3.46Å; V218-S222 PolarHBondContact O-N 3.35Å; V218-S222 VanDerWaalsContact O-N 3.12Å; V218-S222 PolarHBondContact O-OG 2.95Å; D219-S222 PolarHBondContact O-N 2.96Å; S222-T226 VanDerWaalsContact O-CB 3.28Å; S222-T226 WeakPolarHBondContact O-CB 3.44Å; S222-T226 PolarHBondContact O-N 3.31Å; S222-T226 PolarHBondContact O-OG1 3.06Å
223	I	97.4	Very high	89.8	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.1	-45.7	170.5	-70.3	160.6	0	0	0	110.5	I135 M139 I152 D219 L220 W221 V225 T226 L227 I300 F314	I135-I223 HydrophobicContact CG2-CD1 4.44Å; I135-I223 HydrophobicContact CG2-CG1 4.23Å; I135-I223 HydrophobicContact CG2-CG2 4.2Å; M139-I223 HydrophobicContact CE-CD1 3.94Å; M139-I223 HydrophobicContact CG-CD1 3.64Å; M139-I223 HydrophobicContact SD-CD1 3.93Å; I152-I223 HydrophobicContact CD1-CD1 3.95Å; I152-I223 HydrophobicContact CD1-CG1 3.88Å; I152-I223 HydrophobicContact CG2-CG1 3.98Å; D219-I223 WeakPolarHBondContact O-CB 3.35Å; D219-I223 WeakPolarHBondContact O-CD1 3.16Å; D219-I223 WeakPolarHBondContact O-CG1 3.49Å; D219-I223 PolarHBondContact O-N 3.31Å; L220-I223 HydrophobicContact CD2-CD1 4.46Å; L220-I223 PolarHBondContact O-N 3.17Å; W221-I223 VanDerWaalsContact C-N 3.28Å; W221-I223 PolarHBondContact O-N 3.44Å; I223-V225 PolarHBondContact O-N 2.83Å; I223-T226 CarbonylContact O-C 3.58Å; I223-T226 WeakPolarHBondContact O-CB 3.46Å; I223-T226 PolarHBondContact O-N 3.5Å; I223-T226 VanDerWaalsContact O-N 3.12Å; I223-L227 HydrophobicContact CG2-CD1 3.75Å; I223-L227 HydrophobicContact CG2-CG 4.03Å; I223-L227 WeakPolarHBondContact O-CB 3.45Å; I223-L227 WeakPolarHBondContact O-CG 3.49Å; I223-L227 PolarHBondContact O-N 2.99Å; I223-I300 HydrophobicContact CG2-CD1 4.28Å; I223-F314 HydrophobicContact CG2-CE2 4.19Å; I223-F314 HydrophobicContact CG2-CZ 4.03Å
224	G	97.9	Very high	91.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.3	-47.6	177.1	0	0	0	0	0	112.9	L220 W221 T226 L227 Y228 L297 I300 M301	L220-G224 PolarHBondContact O-N 2.99Å; W221-G224 WeakPolarHBondContact O-CA 3.49Å; W221-G224 PolarHBondContact O-N 3.31Å; G224-T226 VanDerWaalsContact C-N 3.31Å; G224-T226 PolarHBondContact O-N 3.27Å; G224-L227 PolarHBondContact O-N 3.23Å; G224-Y228 WeakPolarHBondContact O-CB 3.16Å; G224-Y228 PolarHBondContact O-N 3.44Å; G224-L297 WeakPolarHBondContact O-CD2 3.28Å; G224-I300 VanDerWaalsContact CA-CD1 3.48Å; G224-M301 VanDerWaalsContact C-SD 3.51Å
225	V	98.3	Very high	93	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-61.8	-41.2	175	179.4	0	0	0	0	111	Y195 W221 I223 H229 L235 P236 M301	Y195-V225 HydrophobicContact CD1-CB 3.91Å; Y195-V225 HydrophobicContact CD1-CG1 3.4Å; Y195-V225 HydrophobicContact CE1-CG1 3.76Å; Y195-V225 HydrophobicContact CG-CG1 4.1Å; W221-V225 WeakPolarHBondContact O-CG2 3.32Å; W221-V225 PolarHBondContact O-N 3.43Å; I223-V225 PolarHBondContact O-N 2.83Å; V225-H229 WeakPolarHBondContact O-CB 3.46Å; V225-H229 PolarHBondContact O-N 3.22Å; V225-L235 HydrophobicContact CG1-CD2 4.14Å; V225-P236 HydrophobicContact CB-CG 4.29Å; V225-P236 HydrophobicContact CG1-CG 3.9Å; V225-P236 HydrophobicContact CG2-CG 4.12Å; V225-M301 HydrophobicContact CG2-SD 4.21Å
226	T	98.4	Very high	94.4	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.8	-44.6	178.2	-64.5	0	0	0	0	112.4	L110 I135 P154 I157 S222 I223 G224 H229 S230	L110-T226 HydrophobicContact CD2-CG2 4.31Å; I135-T226 HydrophobicContact CD1-CG2 4.32Å; P154-T226 HydrophobicContact CG-CG2 4.11Å; I157-T226 HydrophobicContact CD1-CG2 3.6Å; S222-T226 VanDerWaalsContact O-CB 3.28Å; S222-T226 WeakPolarHBondContact O-CB 3.44Å; S222-T226 PolarHBondContact O-N 3.31Å; S222-T226 PolarHBondContact O-OG1 3.06Å; I223-T226 CarbonylContact O-C 3.58Å; I223-T226 WeakPolarHBondContact O-CB 3.46Å; I223-T226 PolarHBondContact O-N 3.5Å; I223-T226 VanDerWaalsContact O-N 3.12Å; G224-T226 VanDerWaalsContact C-N 3.31Å; G224-T226 PolarHBondContact O-N 3.27Å; T226-H229 PolarHBondContact O-N 2.9Å; T226-S230 WeakPolarHBondContact O-CB 3.47Å; T226-S230 PolarHBondContact O-N 3.11Å; T226-S230 PolarHBondContact O-OG 3.44Å
227	L	98.6	Very high	95.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-67.7	-41.5	177.8	-69.3	178.2	0	0	0	110.8	F128 L132 I135 I223 G224 H229 S230 A231 L297 I300	F128-L227 HydrophobicContact CE2-CD2 4.36Å; F128-L227 WeakPolarHBondContact CE2-O 3.48Å; F128-L227 HydrophobicContact CZ-CD2 4.31Å; L132-L227 HydrophobicContact CD1-CD1 3.88Å; L132-L227 HydrophobicContact CD1-CD2 4.06Å; I135-L227 HydrophobicContact CD1-CD2 4.2Å; I223-L227 HydrophobicContact CG2-CD1 3.75Å; I223-L227 HydrophobicContact CG2-CG 4.03Å; I223-L227 WeakPolarHBondContact O-CB 3.45Å; I223-L227 WeakPolarHBondContact O-CG 3.49Å; I223-L227 PolarHBondContact O-N 2.99Å; G224-L227 PolarHBondContact O-N 3.23Å; L227-H229 PolarHBondContact O-N 2.8Å; L227-S230 PolarHBondContact O-N 3.05Å; L227-A231 WeakPolarHBondContact O-CB 3.48Å; L227-A231 PolarHBondContact O-N 2.92Å; L227-L297 HydrophobicContact CB-CD2 3.88Å; L227-I300 HydrophobicContact CD1-CD1 4.48Å
228	Y	98.7	Very high	96.2	Very high	17 Å²	17	10.3 Å²	10.3	7%	0.067	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-46.3	173.1	-175.2	-78.9	0	0	0	111.5	G224 S230 A231 T232 S234 P236 I262 A263 L279 L297	G224-Y228 WeakPolarHBondContact O-CB 3.16Å; G224-Y228 PolarHBondContact O-N 3.44Å; Y228-S230 VanDerWaalsContact C-N 3.3Å; Y228-S230 PolarHBondContact O-N 3.46Å; Y228-A231 PolarHBondContact O-N 3.29Å; Y228-T232 HydrophobicContact CD1-CG2 4.19Å; Y228-T232 WeakPolarHBondContact CD1-OG1 3.47Å; Y228-T232 HydrophobicContact CE1-CG2 3.84Å; Y228-T232 VanDerWaalsContact CE1-OG1 3.23Å; Y228-T232 WeakPolarHBondContact CE1-OG1 3.18Å; Y228-T232 HydrophobicContact CE2-CG2 4.22Å; Y228-T232 WeakPolarHBondContact O-CB 3.34Å; Y228-T232 WeakPolarHBondContact O-CG2 3.34Å; Y228-T232 PolarHBondContact O-N 3.3Å; Y228-T232 PolarHBondContact O-OG1 2.84Å; Y228-S234 VanDerWaalsContact CD1-O 3.31Å; Y228-S234 WeakPolarHBondContact CD1-O 3.27Å; Y228-S234 WeakPolarHBondContact CE1-O 3.34Å; Y228-P236 HydrophobicContact CD1-CB 3.59Å; Y228-P236 HydrophobicContact CD1-CG 4.05Å; Y228-P236 HydrophobicContact CD2-CB 4.04Å; Y228-P236 VanDerWaalsContact CE1-CA 3.42Å; Y228-P236 HydrophobicContact CE1-CB 3.87Å; Y228-P236 HydrophobicContact CE2-CB 4.29Å; Y228-P236 HydrophobicContact CG-CB 3.69Å; Y228-P236 HydrophobicContact CG-CG 4.18Å; Y228-I262 HydrophobicContact CD2-CD1 4.47Å; Y228-I262 HydrophobicContact CE2-CD1 4.21Å; Y228-I262 HydrophobicContact CE2-CG1 4.28Å; Y228-A263 HydrophobicContact CE2-CB 3.86Å; Y228-A263 WeakPolarHBondContact OH-CB 3.27Å; Y228-L279 HydrophobicContact CD2-CD2 3.85Å; Y228-L279 HydrophobicContact CE2-CD2 3.77Å; Y228-L297 HydrophobicContact CD2-CD1 4.33Å
229	H	98.3	Very high	96.6	Very high	23 Å²	23	10.4 Å²	10.4	11%	0.106	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-40.1	177.5	-170.5	-174.5	0	0	0	111.3	Y195 V225 T226 L227 A231 T232 G233 S234	Y195-H229 AromaticContact CZ-ND1 3.9Å; Y195-H229 PolarHBondContact OH-CE1 2.87Å; Y195-H229 PolarHBondContact OH-ND1 2.74Å; V225-H229 WeakPolarHBondContact O-CB 3.46Å; V225-H229 PolarHBondContact O-N 3.22Å; T226-H229 PolarHBondContact O-N 2.9Å; L227-H229 PolarHBondContact O-N 2.8Å; H229-A231 PolarHBondContact O-N 2.86Å; H229-T232 PolarHBondContact O-N 2.83Å; H229-G233 VanDerWaalsContact CD2-C 3.48Å; H229-G233 VanDerWaalsContact O-CA 3.29Å; H229-G233 WeakPolarHBondContact O-CA 3.4Å; H229-G233 PolarHBondContact O-N 3.29Å; H229-S234 WeakPolarHBondContact CA-O 3.43Å; H229-S234 PolarHBondContact CD2-N 2.98Å
230	S	98.6	Very high	96.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.6	-37.6	176.8	-54.8	0	0	0	0	112.5	G122 L123 T226 L227 Y228	G122-S230 CarbonylContact C-O 3.54Å; G122-S230 WeakPolarHBondContact CA-O 3.49Å; L123-S230 PolarHBondContact N-O 2.98Å; T226-S230 WeakPolarHBondContact O-CB 3.47Å; T226-S230 PolarHBondContact O-N 3.11Å; T226-S230 PolarHBondContact O-OG 3.44Å; L227-S230 PolarHBondContact O-N 3.05Å; Y228-S230 VanDerWaalsContact C-N 3.3Å; Y228-S230 PolarHBondContact O-N 3.46Å
231	A	98.5	Very high	96.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-74.4	-27.5	179.2	0	0	0	0	0	113.4	G122 F128 L227 Y228 H229 L279 C283 L285 L293	G122-A231 WeakPolarHBondContact CA-O 3.27Å; F128-A231 HydrophobicContact CD2-CB 4.15Å; F128-A231 HydrophobicContact CE2-CB 3.76Å; F128-A231 HydrophobicContact CZ-CB 4.37Å; L227-A231 WeakPolarHBondContact O-CB 3.48Å; L227-A231 PolarHBondContact O-N 2.92Å; Y228-A231 PolarHBondContact O-N 3.29Å; H229-A231 PolarHBondContact O-N 2.86Å; A231-L279 HydrophobicContact CB-CD2 4.46Å; A231-C283 PolarHBondContact O-SG 3.5Å; A231-L285 HydrophobicContact CB-CD1 3.79Å; A231-L293 HydrophobicContact CB-CD2 4.37Å
232	T	97.7	Very high	96	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-122.3	-14.6	-168.6	68	0	0	0	0	115.1	F121 G122 Y228 H229 S234 L279 P280	F121-T232 VanDerWaalsContact C-C 3.43Å; F121-T232 CarbonylContact C-O 3.52Å; F121-T232 VanDerWaalsContact CA-O 3.29Å; F121-T232 WeakPolarHBondContact CA-O 3.46Å; G122-T232 PolarHBondContact N-O 3.25Å; Y228-T232 HydrophobicContact CD1-CG2 4.19Å; Y228-T232 WeakPolarHBondContact CD1-OG1 3.47Å; Y228-T232 HydrophobicContact CE1-CG2 3.84Å; Y228-T232 VanDerWaalsContact CE1-OG1 3.23Å; Y228-T232 WeakPolarHBondContact CE1-OG1 3.18Å; Y228-T232 HydrophobicContact CE2-CG2 4.22Å; Y228-T232 WeakPolarHBondContact O-CB 3.34Å; Y228-T232 WeakPolarHBondContact O-CG2 3.34Å; Y228-T232 PolarHBondContact O-N 3.3Å; Y228-T232 PolarHBondContact O-OG1 2.84Å; H229-T232 PolarHBondContact O-N 2.83Å; T232-S234 PolarHBondContact O-N 2.78Å; T232-S234 PolarHBondContact OG1-N 3.12Å; T232-S234 PolarHBondContact OG1-O 3.48Å; T232-L279 HydrophobicContact CG2-CD2 3.65Å; T232-P280 HydrophobicContact CG2-CG 3.79Å
233	G	96.2	Very high	95.5	Very high	15 Å²	15	21.1 Å²	21.1	16%	0.155	12%	0.12	C	C	.	.	S	Bend	trans	70.8	6.3	-172.7	0	0	0	0	0	113.6	H229	H229-G233 VanDerWaalsContact CD2-C 3.48Å; H229-G233 VanDerWaalsContact O-CA 3.29Å; H229-G233 WeakPolarHBondContact O-CA 3.4Å; H229-G233 PolarHBondContact O-N 3.29Å
234	S	94.1	Very high	95	Very high	68 Å²	68	28.6 Å²	28.6	48%	0.476	15%	0.148	S	C	.	.	S	Bend	trans	-136.4	155.7	-179	-67.2	0	0	0	0	111.7	Y228 H229 T232	Y228-S234 VanDerWaalsContact CD1-O 3.31Å; Y228-S234 WeakPolarHBondContact CD1-O 3.27Å; Y228-S234 WeakPolarHBondContact CE1-O 3.34Å; H229-S234 WeakPolarHBondContact CA-O 3.43Å; H229-S234 PolarHBondContact CD2-N 2.98Å; T232-S234 PolarHBondContact O-N 2.78Å; T232-S234 PolarHBondContact OG1-N 3.12Å; T232-S234 PolarHBondContact OG1-O 3.48Å
235	L	96.1	Very high	94.5	Very high	39 Å²	39	36 Å²	36	20%	0.204	18%	0.181	C	C	.	.			trans	-70.9	147.2	175.1	-68.8	167.6	0	0	0	111.2	E194 Y195 V225 T238 P243	E194-L235 HydrophobicContact CB-CD1 3.8Å; E194-L235 HydrophobicContact CB-CD2 4.16Å; E194-L235 HydrophobicContact CG-CD1 3.82Å; Y195-L235 HydrophobicContact CE1-CD2 4.16Å; Y195-L235 HydrophobicContact CE2-CD2 4.34Å; V225-L235 HydrophobicContact CG1-CD2 4.14Å; L235-T238 HydrophobicContact CB-CG2 4.11Å; L235-P243 HydrophobicContact CD1-CG 4.36Å
236	P	97.2	Very high	94.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.191	C	C	.	.	S	Bend	trans	-70.4	-34.5	179.4	24.7	-31.2	0	0	0	113.4	V225 Y228 I262 A263 G264 M301	V225-P236 HydrophobicContact CB-CG 4.29Å; V225-P236 HydrophobicContact CG1-CG 3.9Å; V225-P236 HydrophobicContact CG2-CG 4.12Å; Y228-P236 HydrophobicContact CD1-CB 3.59Å; Y228-P236 HydrophobicContact CD1-CG 4.05Å; Y228-P236 HydrophobicContact CD2-CB 4.04Å; Y228-P236 VanDerWaalsContact CE1-CA 3.42Å; Y228-P236 HydrophobicContact CE1-CB 3.87Å; Y228-P236 HydrophobicContact CE2-CB 4.29Å; Y228-P236 HydrophobicContact CG-CB 3.69Å; Y228-P236 HydrophobicContact CG-CG 4.18Å; P236-I262 VanDerWaalsContact CB-O 3.31Å; P236-I262 WeakPolarHBondContact CB-O 3.21Å; P236-A263 HydrophobicContact CB-CB 4.36Å; P236-A263 CarbonylContact O-C 3.57Å; P236-A263 WeakPolarHBondContact O-CA 3.28Å; P236-A263 VanDerWaalsContact O-CB 3.25Å; P236-A263 WeakPolarHBondContact O-CB 3.42Å; P236-G264 PolarHBondContact O-N 3.09Å; P236-M301 HydrophobicContact CG-SD 4.3Å
237	F	96.8	Very high	93.9	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.2	-174.8	-54	-61.8	0	0	0	109.9	W221 M250 I253 T254 K257 G264 M301	W221-F237 HydrophobicContact CH2-CE2 4.03Å; W221-F237 HydrophobicContact CH2-CZ 4.34Å; W221-F237 HydrophobicContact CZ2-CD2 4.18Å; W221-F237 AromaticContact CZ2-CE2 3.66Å; W221-F237 HydrophobicContact CZ2-CE2 3.66Å; W221-F237 HydrophobicContact CZ2-CZ 4.41Å; F237-M250 HydrophobicContact CB-CE 3.96Å; F237-M250 HydrophobicContact CB-SD 4.12Å; F237-I253 HydrophobicContact CB-CG2 3.79Å; F237-I253 HydrophobicContact CD1-CG2 3.57Å; F237-I253 HydrophobicContact CG-CG2 4.01Å; F237-T254 HydrophobicContact CB-CG2 4.33Å; F237-T254 HydrophobicContact CD2-CG2 3.97Å; F237-T254 HydrophobicContact CG-CG2 4.15Å; F237-K257 HydrophobicContact CE1-CD 3.5Å; F237-K257 HydrophobicContact CE1-CG 4.39Å; F237-K257 HydrophobicContact CZ-CD 3.52Å; F237-G264 WeakPolarHBondContact CA-O 3.38Å; F237-M301 HydrophobicContact CE2-SD 4.21Å; F237-M301 HydrophobicContact CZ-SD 4.43Å
238	T	95	Very high	93.5	Very high	39 Å²	39	47.3 Å²	47.3	24%	0.239	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	102.2	-173.1	57.1	0	0	0	0	111	L235 G264 T265 Q266	L235-T238 HydrophobicContact CB-CG2 4.11Å; T238-G264 PolarHBondContact N-O 3.23Å; T238-T265 WeakPolarHBondContact O-CA 3.38Å; T238-T265 WeakPolarHBondContact OG1-CG2 3.37Å; T238-T265 PolarHBondContact OG1-OG1 3.46Å; T238-T265 VanDerWaalsContact OG1-OG1 3.09Å; T238-Q266 PolarHBondContact O-N 3.16Å
239	P	94.8	Very high	93.2	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.032	24%	0.241	C	C	.	.			trans	-72.5	162.2	170.3	32.6	-35.6	0	0	0	110.5	E241 G242 P243 N246 T249 M250 I253	P239-E241 PolarHBondContact O-N 3.1Å; P239-G242 WeakPolarHBondContact O-CA 3.44Å; P239-G242 PolarHBondContact O-N 2.85Å; P239-P243 HydrophobicContact CG-CB 4.48Å; P239-N246 HydrophobicContact CB-CB 3.99Å; P239-N246 HydrophobicContact CG-CB 4.12Å; P239-T249 HydrophobicContact CB-CG2 3.82Å; P239-M250 HydrophobicContact CG-CB 4.17Å; P239-I253 HydrophobicContact CB-CD1 3.92Å
240	F	91.9	Very high	93	Very high	65 Å²	65	46.7 Å²	46.7	29%	0.285	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	139.2	173.8	-175.6	-108.3	0	0	0	110	G242 N246 Q266 R267 E269	F240-G242 PolarHBondContact O-N 2.91Å; F240-G242 VanDerWaalsContact O-N 3.16Å; F240-N246 WeakPolarHBondContact O-CB 3.31Å; F240-Q266 WeakPolarHBondContact CA-O 3.4Å; F240-Q266 HydrophobicContact CB-CG 4.13Å; F240-Q266 PolarHBondContact N-O 2.86Å; F240-Q266 VanDerWaalsContact N-OE1 3.16Å; F240-R267 VanDerWaalsContact CD2-C 3.49Å; F240-R267 WeakPolarHBondContact CD2-O 3.43Å; F240-R267 WeakPolarHBondContact CE2-O 3.41Å; F240-E269 HydrophobicContact CD1-CB 3.67Å; F240-E269 HydrophobicContact CD1-CG 4.37Å; F240-E269 HydrophobicContact CE1-CB 3.74Å
241	E	86.8	Confident	92.8	Very high	125 Å²	125	48.5 Å²	48.5	58%	0.584	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	-2.7	-170.2	-43.8	-161.7	136.3	0	0	117.2	P239 K245	P239-E241 PolarHBondContact O-N 3.1Å; E241-K245 HydrophobicContact CB-CB 4.28Å; E241-K245 HydrophobicContact CB-CD 3.95Å
242	G	88.4	Confident	92.5	Very high	21 Å²	21	53 Å²	53	22%	0.216	26%	0.263	C	S	.	.			trans	98.5	160.1	172.8	0	0	0	0	0	115.2	P239 F240 R244 K245 N246	P239-G242 WeakPolarHBondContact O-CA 3.44Å; P239-G242 PolarHBondContact O-N 2.85Å; F240-G242 PolarHBondContact O-N 2.91Å; F240-G242 VanDerWaalsContact O-N 3.16Å; G242-R244 VanDerWaalsContact C-N 3.35Å; G242-R244 PolarHBondContact O-N 3.32Å; G242-K245 PolarHBondContact O-N 3.42Å; G242-N246 PolarHBondContact O-N 2.8Å; G242-N246 VanDerWaalsContact O-N 3.09Å
243	P	86.8	Confident	92.4	Very high	18 Å²	18	52.9 Å²	52.9	12%	0.117	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.2	-165.1	22.2	-33.4	0	0	0	114.1	E194 L235 P239 M250	E194-P243 HydrophobicContact CG-CB 4.03Å; E194-P243 HydrophobicContact CG-CG 3.47Å; E194-P243 VanDerWaalsContact CG-CG 3.47Å; L235-P243 HydrophobicContact CD1-CG 4.36Å; P239-P243 HydrophobicContact CG-CB 4.48Å; P243-M250 HydrophobicContact CB-CG 4.16Å; P243-M250 HydrophobicContact CB-SD 3.88Å
244	R	85.7	Confident	92.3	Very high	157 Å²	157	52.2 Å²	52.2	59%	0.592	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.3	-179	-60.4	-172.1	-172.4	172.9	3.4	113.7	E194 G242 K247	E194-R244 IonicContact OE1-CZ 2.77Å; E194-R244 IonicContact OE1-NE 2.89Å; E194-R244 PolarHBondContact OE1-NE 3.05Å; E194-R244 IonicContact OE1-NH2 2.86Å; E194-R244 PolarHBondContact OE1-NH2 3.49Å; E194-R244 IonicContact OE2-NE 3.63Å; E194-R244 IonicContact OE2-NH2 3.34Å; G242-R244 VanDerWaalsContact C-N 3.35Å; G242-R244 PolarHBondContact O-N 3.32Å; R244-K247 WeakPolarHBondContact O-CE 3.36Å
245	K	88.7	Confident	92.2	Very high	156 Å²	156	51.3 Å²	51.3	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-43.2	179.9	-71	-172.2	179.1	-178.8	0	110.9	E241 G242	E241-K245 HydrophobicContact CB-CB 4.28Å; E241-K245 HydrophobicContact CB-CD 3.95Å; G242-K245 PolarHBondContact O-N 3.42Å
246	N	91	Very high	92	Very high	41 Å²	41	55 Å²	55	22%	0.219	26%	0.263	C	S	.	.			trans	-109.5	68.3	-175.6	-167.5	-12.2	0	0	0	111.9	P239 F240 G242 L248 T249 M250	P239-N246 HydrophobicContact CB-CB 3.99Å; P239-N246 HydrophobicContact CG-CB 4.12Å; F240-N246 WeakPolarHBondContact O-CB 3.31Å; G242-N246 PolarHBondContact O-N 2.8Å; G242-N246 VanDerWaalsContact O-N 3.09Å; N246-L248 VanDerWaalsContact C-N 3.33Å; N246-L248 PolarHBondContact O-N 2.94Å; N246-T249 VanDerWaalsContact CG-CB 3.46Å; N246-T249 WeakPolarHBondContact ND2-CB 3.34Å; N246-T249 PolarHBondContact ND2-OG1 3.27Å; N246-T249 VanDerWaalsContact ND2-OG1 3.08Å; N246-T249 PolarHBondContact O-N 3.49Å; N246-T249 WeakPolarHBondContact OD1-CB 3.34Å; N246-T249 PolarHBondContact OD1-N 2.92Å; N246-T249 PolarHBondContact OD1-OG1 2.87Å; N246-M250 PolarHBondContact O-N 2.85Å
247	K	91.5	Very high	91.9	Very high	75 Å²	75	55.7 Å²	55.7	33%	0.326	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-34.5	-172.4	-64.1	178.6	167.1	-150.9	0	113.7	E193 Y201 V205 L206 R244 Y251	E193-K247 IonicContact OE1-NZ 2.76Å; E193-K247 PolarHBondContact OE1-NZ 3.39Å; E193-K247 WeakPolarHBondContact OE2-CE 3.45Å; E193-K247 IonicContact OE2-NZ 3.68Å; Y201-K247 WeakPolarHBondContact CE1-O 3.45Å; Y201-K247 WeakPolarHBondContact OH-CA 3.44Å; Y201-K247 WeakPolarHBondContact OH-CB 3.38Å; Y201-K247 PolarHBondContact OH-O 3.31Å; V205-K247 HydrophobicContact CG1-CB 4.32Å; V205-K247 HydrophobicContact CG1-CD 3.62Å; V205-K247 HydrophobicContact CG1-CG 4.1Å; L206-K247 HydrophobicContact CD2-CB 4.21Å; R244-K247 WeakPolarHBondContact O-CE 3.36Å; K247-Y251 PolarHBondContact O-N 3.32Å; K247-Y251 VanDerWaalsContact O-N 3.1Å
248	L	91.4	Very high	91.9	Very high	123 Å²	123	57.4 Å²	57.4	64%	0.644	28%	0.278	S	S	*	.	H	α-helix	trans	-70	-44.6	179.9	-176.4	66	0	0	0	111.1	N246 M250 Y251 K252	N246-L248 VanDerWaalsContact C-N 3.33Å; N246-L248 PolarHBondContact O-N 2.94Å; L248-M250 VanDerWaalsContact C-N 3.34Å; L248-Y251 PolarHBondContact O-N 3.25Å; L248-K252 WeakPolarHBondContact O-CB 3.4Å; L248-K252 PolarHBondContact O-N 3.28Å
249	T	92.9	Very high	91.8	Very high	23 Å²	23	61.9 Å²	61.9	14%	0.141	30%	0.297	C	S	.	.	H	α-helix	trans	-69.2	-35.9	176.8	-52.2	0	0	0	0	110.9	P239 N246 Y251 K252 I253	P239-T249 HydrophobicContact CB-CG2 3.82Å; N246-T249 VanDerWaalsContact CG-CB 3.46Å; N246-T249 WeakPolarHBondContact ND2-CB 3.34Å; N246-T249 PolarHBondContact ND2-OG1 3.27Å; N246-T249 VanDerWaalsContact ND2-OG1 3.08Å; N246-T249 PolarHBondContact O-N 3.49Å; N246-T249 WeakPolarHBondContact OD1-CB 3.34Å; N246-T249 PolarHBondContact OD1-N 2.92Å; N246-T249 PolarHBondContact OD1-OG1 2.87Å; T249-Y251 VanDerWaalsContact C-N 3.35Å; T249-Y251 PolarHBondContact O-N 2.93Å; T249-K252 WeakPolarHBondContact O-CB 3.37Å; T249-K252 PolarHBondContact O-N 3.49Å; T249-I253 HydrophobicContact CG2-CD1 3.85Å; T249-I253 HydrophobicContact CG2-CG1 4.14Å; T249-I253 WeakPolarHBondContact O-CB 3.34Å; T249-I253 VanDerWaalsContact O-CG1 3.25Å; T249-I253 WeakPolarHBondContact O-CG1 3.49Å; T249-I253 PolarHBondContact O-N 3.03Å
250	M	94.1	Very high	91.8	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-55.5	-51	172.2	-177.1	60	-172.3	0	0	111.2	Y201 F237 P239 P243 N246 L248 K252 I253 T254	Y201-M250 HydrophobicContact CE2-CG 3.95Å; F237-M250 HydrophobicContact CB-CE 3.96Å; F237-M250 HydrophobicContact CB-SD 4.12Å; P239-M250 HydrophobicContact CG-CB 4.17Å; P243-M250 HydrophobicContact CB-CG 4.16Å; P243-M250 HydrophobicContact CB-SD 3.88Å; N246-M250 PolarHBondContact O-N 2.85Å; L248-M250 VanDerWaalsContact C-N 3.34Å; M250-K252 PolarHBondContact O-N 3.03Å; M250-I253 PolarHBondContact O-N 2.86Å; M250-T254 HydrophobicContact CE-CG2 3.82Å; M250-T254 PolarHBondContact O-N 3.3Å; M250-T254 PolarHBondContact O-OG1 3.48Å; M250-T254 HydrophobicContact SD-CG2 4.48Å
251	Y	93.3	Very high	92	Very high	38 Å²	38	59.8 Å²	59.8	15%	0.149	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-49.9	176.1	-179.9	-112.8	0	0	0	111.2	P198 Y201 E202 L206 K247 L248 T249 I253 T254 T255	P198-Y251 WeakPolarHBondContact O-CE2 3.4Å; Y201-Y251 HydrophobicContact CD1-CD2 4.14Å; E202-Y251 HydrophobicContact CB-CD2 4.22Å; E202-Y251 HydrophobicContact CB-CE2 3.53Å; E202-Y251 HydrophobicContact CG-CE1 4.48Å; E202-Y251 HydrophobicContact CG-CE2 3.99Å; E202-Y251 PolarHBondContact OE1-OH 3.18Å; E202-Y251 PolarHBondContact OE2-OH 2.84Å; L206-Y251 HydrophobicContact CD1-CD1 3.77Å; L206-Y251 HydrophobicContact CD1-CD2 4.23Å; L206-Y251 HydrophobicContact CD1-CE1 4.38Å; L206-Y251 HydrophobicContact CD1-CG 3.67Å; K247-Y251 PolarHBondContact O-N 3.32Å; K247-Y251 VanDerWaalsContact O-N 3.1Å; L248-Y251 PolarHBondContact O-N 3.25Å; T249-Y251 VanDerWaalsContact C-N 3.35Å; T249-Y251 PolarHBondContact O-N 2.93Å; Y251-I253 PolarHBondContact O-N 3.49Å; Y251-T254 PolarHBondContact O-N 3.35Å; Y251-T254 VanDerWaalsContact O-N 3.08Å; Y251-T254 PolarHBondContact O-OG1 3.48Å; Y251-T255 HydrophobicContact CD2-CG2 3.89Å; Y251-T255 HydrophobicContact CE1-CG2 4.12Å; Y251-T255 HydrophobicContact CE2-CG2 3.41Å; Y251-T255 VanDerWaalsContact CE2-CG2 3.41Å; Y251-T255 HydrophobicContact CG-CG2 4.42Å; Y251-T255 PolarHBondContact O-N 3.42Å; Y251-T255 PolarHBondContact O-OG1 3.04Å
252	K	93.2	Very high	92.6	Very high	96 Å²	96	53.9 Å²	53.9	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-53.9	-48.3	176.9	-170.7	-177.9	179.9	179.4	0	112.8	L248 T249 M250 T254 T255 E256	L248-K252 WeakPolarHBondContact O-CB 3.4Å; L248-K252 PolarHBondContact O-N 3.28Å; T249-K252 WeakPolarHBondContact O-CB 3.37Å; T249-K252 PolarHBondContact O-N 3.49Å; M250-K252 PolarHBondContact O-N 3.03Å; K252-T254 VanDerWaalsContact C-N 3.3Å; K252-T254 PolarHBondContact O-N 3.41Å; K252-T255 PolarHBondContact O-N 3.39Å; K252-T255 PolarHBondContact O-OG1 3.27Å; K252-E256 VanDerWaalsContact CE-CD 3.4Å; K252-E256 WeakPolarHBondContact CE-OE1 3.38Å; K252-E256 WeakPolarHBondContact CE-OE2 3.35Å; K252-E256 VanDerWaalsContact CG-CD 3.44Å; K252-E256 HydrophobicContact CG-CG 4.13Å; K252-E256 WeakPolarHBondContact CG-OE1 3.4Å; K252-E256 WeakPolarHBondContact CG-OE2 3.15Å; K252-E256 IonicContact NZ-OE2 2.68Å; K252-E256 WeakPolarHBondContact O-CB 3.34Å; K252-E256 PolarHBondContact O-N 3.47Å
253	I	94.9	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-41.1	178.3	-69.3	165.2	0	0	0	110.3	F237 P239 T249 M250 Y251 I273 W275	F237-I253 HydrophobicContact CB-CG2 3.79Å; F237-I253 HydrophobicContact CD1-CG2 3.57Å; F237-I253 HydrophobicContact CG-CG2 4.01Å; P239-I253 HydrophobicContact CB-CD1 3.92Å; T249-I253 HydrophobicContact CG2-CD1 3.85Å; T249-I253 HydrophobicContact CG2-CG1 4.14Å; T249-I253 WeakPolarHBondContact O-CB 3.34Å; T249-I253 VanDerWaalsContact O-CG1 3.25Å; T249-I253 WeakPolarHBondContact O-CG1 3.49Å; T249-I253 PolarHBondContact O-N 3.03Å; M250-I253 PolarHBondContact O-N 2.86Å; Y251-I253 PolarHBondContact O-N 3.49Å; I253-I273 HydrophobicContact CB-CD1 4.38Å; I253-I273 HydrophobicContact CD1-CG1 4.37Å; I253-I273 HydrophobicContact CG1-CD1 3.44Å; I253-I273 VanDerWaalsContact CG1-CD1 3.44Å; I253-I273 HydrophobicContact CG1-CG1 3.75Å; I253-I273 HydrophobicContact CG1-CG2 4.1Å; I253-I273 HydrophobicContact CG2-CG2 4.48Å; I253-W275 HydrophobicContact CB-CH2 4.42Å; I253-W275 HydrophobicContact CG2-CH2 3.94Å; I253-W275 HydrophobicContact CG2-CZ3 3.91Å; I253-W275 WeakPolarHBondContact O-CH2 3.32Å
254	T	94.1	Very high	93.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-75.1	-30	-178.9	54.5	0	0	0	0	113.7	W221 F237 M250 Y251 K252	W221-T254 HydrophobicContact CH2-CG2 4.46Å; W221-T254 HydrophobicContact CZ2-CG2 3.84Å; F237-T254 HydrophobicContact CB-CG2 4.33Å; F237-T254 HydrophobicContact CD2-CG2 3.97Å; F237-T254 HydrophobicContact CG-CG2 4.15Å; M250-T254 HydrophobicContact CE-CG2 3.82Å; M250-T254 PolarHBondContact O-N 3.3Å; M250-T254 PolarHBondContact O-OG1 3.48Å; M250-T254 HydrophobicContact SD-CG2 4.48Å; Y251-T254 PolarHBondContact O-N 3.35Å; Y251-T254 VanDerWaalsContact O-N 3.08Å; Y251-T254 PolarHBondContact O-OG1 3.48Å; K252-T254 VanDerWaalsContact C-N 3.3Å; K252-T254 PolarHBondContact O-N 3.41Å
255	T	91.9	Very high	94	Very high	49 Å²	49	46.9 Å²	46.9	30%	0.301	24%	0.238	S	C	.	.	H	α-helix	trans	-91.9	-36.8	-177.2	53.4	0	0	0	0	114.5	P198 Y251 K252 K257	P198-T255 HydrophobicContact CB-CG2 3.65Å; Y251-T255 HydrophobicContact CD2-CG2 3.89Å; Y251-T255 HydrophobicContact CE1-CG2 4.12Å; Y251-T255 HydrophobicContact CE2-CG2 3.41Å; Y251-T255 VanDerWaalsContact CE2-CG2 3.41Å; Y251-T255 HydrophobicContact CG-CG2 4.42Å; Y251-T255 PolarHBondContact O-N 3.42Å; Y251-T255 PolarHBondContact O-OG1 3.04Å; K252-T255 PolarHBondContact O-N 3.39Å; K252-T255 PolarHBondContact O-OG1 3.27Å; T255-K257 PolarHBondContact O-N 3.11Å
256	E	92.8	Very high	94.3	Very high	117 Å²	117	40.2 Å²	40.2	55%	0.547	21%	0.21	S	C	.	.	S	Bend	trans	-90.5	13.3	-179.2	-61.2	-178.8	-171.4	0	0	112.3	K252 P258	K252-E256 VanDerWaalsContact CE-CD 3.4Å; K252-E256 WeakPolarHBondContact CE-OE1 3.38Å; K252-E256 WeakPolarHBondContact CE-OE2 3.35Å; K252-E256 VanDerWaalsContact CG-CD 3.44Å; K252-E256 HydrophobicContact CG-CG 4.13Å; K252-E256 WeakPolarHBondContact CG-OE1 3.4Å; K252-E256 WeakPolarHBondContact CG-OE2 3.15Å; K252-E256 IonicContact NZ-OE2 2.68Å; K252-E256 WeakPolarHBondContact O-CB 3.34Å; K252-E256 PolarHBondContact O-N 3.47Å; E256-P258 WeakPolarHBondContact O-CD 3.43Å
257	K	94.8	Very high	94.4	Very high	15 Å²	15	46.2 Å²	46.2	7%	0.065	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-60.1	126.9	-178.9	-172.9	177.9	70.7	70.3	0	111.2	F237 T255 A261 W275 M301	F237-K257 HydrophobicContact CE1-CD 3.5Å; F237-K257 HydrophobicContact CE1-CG 4.39Å; F237-K257 HydrophobicContact CZ-CD 3.52Å; T255-K257 PolarHBondContact O-N 3.11Å; K257-A261 HydrophobicContact CD-CB 4.46Å; K257-A261 WeakPolarHBondContact CD-O 3.36Å; K257-A261 HydrophobicContact CG-CB 3.91Å; K257-A261 PolarHBondContact NZ-O 3.5Å; K257-W275 VanDerWaalsContact CA-CH2 3.49Å; K257-W275 HydrophobicContact CB-CH2 4.01Å; K257-W275 HydrophobicContact CB-CZ3 3.87Å; K257-W275 HydrophobicContact CD-CZ3 4.49Å; K257-W275 HydrophobicContact CG-CE3 4.09Å; K257-W275 HydrophobicContact CG-CH2 4.29Å; K257-W275 HydrophobicContact CG-CZ3 3.65Å; K257-M301 WeakPolarHBondContact CE-O 3.31Å; K257-M301 PolarHBondContact NZ-O 3.1Å
258	P	95.3	Very high	94.4	Very high	39 Å²	39	45.1 Å²	45.1	25%	0.253	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-60.7	152	172.5	-23.6	33.8	0	0	0	112.5	E256 G260 A261 W275 Y277	E256-P258 WeakPolarHBondContact O-CD 3.43Å; P258-G260 PolarHBondContact O-N 2.97Å; P258-A261 HydrophobicContact CB-CB 4.35Å; P258-A261 WeakPolarHBondContact O-CB 3.41Å; P258-A261 PolarHBondContact O-N 2.92Å; P258-A261 VanDerWaalsContact O-N 3.15Å; P258-W275 HydrophobicContact CG-CD2 3.94Å; P258-W275 HydrophobicContact CG-CG 3.86Å; P258-Y277 WeakPolarHBondContact CB-OH 3.47Å
259	M	92.9	Very high	94.4	Very high	132 Å²	132	47 Å²	47	65%	0.65	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	132.1	175.6	-170.6	175.1	-167.1	0	0	110.3	A261 Y277	M259-A261 PolarHBondContact O-N 2.95Å; M259-Y277 WeakPolarHBondContact O-CE1 3.29Å
260	G	95	Very high	94.2	Very high	27 Å²	27	49.5 Å²	49.5	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-13.4	-179.5	0	0	0	0	0	115.4	P258 I262 Y277	P258-G260 PolarHBondContact O-N 2.97Å; G260-I262 PolarHBondContact O-N 3.29Å; G260-Y277 VanDerWaalsContact C-CD1 3.45Å; G260-Y277 WeakPolarHBondContact O-CD1 3.36Å
261	A	97.2	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.284	C	S	.	.			trans	-69	134.5	175.4	0	0	0	0	0	110	K257 P258 M259 W275 S276 Y277	K257-A261 HydrophobicContact CD-CB 4.46Å; K257-A261 WeakPolarHBondContact CD-O 3.36Å; K257-A261 HydrophobicContact CG-CB 3.91Å; K257-A261 PolarHBondContact NZ-O 3.5Å; P258-A261 HydrophobicContact CB-CB 4.35Å; P258-A261 WeakPolarHBondContact O-CB 3.41Å; P258-A261 PolarHBondContact O-N 2.92Å; P258-A261 VanDerWaalsContact O-N 3.15Å; M259-A261 PolarHBondContact O-N 2.95Å; A261-W275 HydrophobicContact CB-CB 4.34Å; A261-W275 HydrophobicContact CB-CE3 4.22Å; A261-S276 WeakPolarHBondContact CA-O 3.34Å; A261-Y277 HydrophobicContact CB-CD1 4.24Å; A261-Y277 HydrophobicContact CB-CE1 3.83Å
262	I	97.9	Very high	94.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.311	C	S	.	.			trans	-110.5	-10.8	-178.6	63.7	170.4	0	0	0	113	Y228 P236 G260 S276 L279 V294 L297 A298 M301	Y228-I262 HydrophobicContact CD2-CD1 4.47Å; Y228-I262 HydrophobicContact CE2-CD1 4.21Å; Y228-I262 HydrophobicContact CE2-CG1 4.28Å; P236-I262 VanDerWaalsContact CB-O 3.31Å; P236-I262 WeakPolarHBondContact CB-O 3.21Å; G260-I262 PolarHBondContact O-N 3.29Å; I262-S276 PolarHBondContact N-O 2.92Å; I262-L279 HydrophobicContact CD1-CD2 4.1Å; I262-L279 HydrophobicContact CD1-CG 4.19Å; I262-V294 HydrophobicContact CD1-CG1 4.38Å; I262-V294 HydrophobicContact CD1-CG2 4.08Å; I262-L297 HydrophobicContact CD1-CD1 4.46Å; I262-L297 HydrophobicContact CG2-CB 3.98Å; I262-A298 HydrophobicContact CG2-CB 3.85Å; I262-M301 HydrophobicContact CB-CE 3.93Å; I262-M301 HydrophobicContact CG2-CE 4.35Å; I262-M301 WeakPolarHBondContact O-CE 3.44Å
263	A	97.8	Very high	94.4	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.033	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.2	176.2	0	0	0	0	0	111.4	Y228 P236 W275 S276	Y228-A263 HydrophobicContact CE2-CB 3.86Å; Y228-A263 WeakPolarHBondContact OH-CB 3.27Å; P236-A263 HydrophobicContact CB-CB 4.36Å; P236-A263 CarbonylContact O-C 3.57Å; P236-A263 WeakPolarHBondContact O-CA 3.28Å; P236-A263 VanDerWaalsContact O-CB 3.25Å; P236-A263 WeakPolarHBondContact O-CB 3.42Å; A263-W275 WeakPolarHBondContact O-CA 3.49Å; A263-S276 PolarHBondContact N-O 3.23Å; A263-S276 PolarHBondContact O-N 3.49Å
264	G	97.1	Very high	94.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	119.8	179.3	0	0	0	0	0	111.1	P236 F237 T238 E274	P236-G264 PolarHBondContact O-N 3.09Å; F237-G264 WeakPolarHBondContact CA-O 3.38Å; T238-G264 PolarHBondContact N-O 3.23Å; G264-E274 WeakPolarHBondContact CA-O 3.25Å
265	T	96.2	Very high	94.6	Very high	46 Å²	46	58.1 Å²	58.1	28%	0.282	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.1	-175.8	-60.9	0	0	0	0	111.2	T238 R267 E274	T238-T265 WeakPolarHBondContact O-CA 3.38Å; T238-T265 WeakPolarHBondContact OG1-CG2 3.37Å; T238-T265 PolarHBondContact OG1-OG1 3.46Å; T238-T265 VanDerWaalsContact OG1-OG1 3.09Å; T265-R267 HydrophobicContact CG2-CG 4.39Å; T265-E274 PolarHBondContact N-O 3.34Å; T265-E274 PolarHBondContact O-N 3.36Å
266	Q	95.9	Very high	94.9	Very high	16 Å²	16	57.9 Å²	57.9	8%	0.075	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.6	170.1	-175.2	-172.2	50.8	0	0	109.6	T238 F240 A268 G271	T238-Q266 PolarHBondContact O-N 3.16Å; F240-Q266 WeakPolarHBondContact CA-O 3.4Å; F240-Q266 HydrophobicContact CB-CG 4.13Å; F240-Q266 PolarHBondContact N-O 2.86Å; F240-Q266 VanDerWaalsContact N-OE1 3.16Å; Q266-A268 VanDerWaalsContact CG-O 3.3Å; Q266-A268 WeakPolarHBondContact CG-O 3.24Å; Q266-G271 PolarHBondContact NE2-O 2.86Å
267	R	91.5	Very high	95.1	Very high	166 Å²	166	57.3 Å²	57.3	63%	0.626	32%	0.324	S	S	*	.			trans	-85.2	-23	-174	-64	-168.9	-171.6	-91	-9.9	115.3	F240 T265 E274	F240-R267 VanDerWaalsContact CD2-C 3.49Å; F240-R267 WeakPolarHBondContact CD2-O 3.43Å; F240-R267 WeakPolarHBondContact CE2-O 3.41Å; T265-R267 HydrophobicContact CG2-CG 4.39Å; R267-E274 WeakPolarHBondContact CD-OE1 3.1Å; R267-E274 IonicContact CZ-OE2 2.77Å; R267-E274 VanDerWaalsContact CZ-OE2 3.24Å; R267-E274 IonicContact NE-OE1 3.76Å; R267-E274 PolarHBondContact NE-OE1 3.05Å; R267-E274 IonicContact NE-OE2 3.9Å; R267-E274 PolarHBondContact NE-OE2 3.07Å; R267-E274 IonicContact NH2-OE2 3.85Å; R267-E274 PolarHBondContact NH2-OE2 2.92Å
268	A	92.7	Very high	95.2	Very high	52 Å²	52	63 Å²	63	43%	0.43	35%	0.351	S	S	.	.	S	Bend	trans	-139.5	153.4	-175.8	0	0	0	0	0	110.5	Q266 G270 G271	Q266-A268 VanDerWaalsContact CG-O 3.3Å; Q266-A268 WeakPolarHBondContact CG-O 3.24Å; A268-G270 PolarHBondContact O-N 3.47Å; A268-G271 PolarHBondContact O-N 2.99Å
269	E	92	Very high	95.3	Very high	162 Å²	162	61.9 Å²	61.9	76%	0.757	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	128.2	175.7	-167.1	175.3	-175	0	0	110.8	F240 G271	F240-E269 HydrophobicContact CD1-CB 3.67Å; F240-E269 HydrophobicContact CD1-CG 4.37Å; F240-E269 HydrophobicContact CE1-CB 3.74Å; E269-G271 PolarHBondContact O-N 3.26Å
270	G	88.4	Confident	95.3	Very high	76 Å²	76	57.4 Å²	57.4	78%	0.784	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	1.3	-177	0	0	0	0	0	115.5	A268	A268-G270 PolarHBondContact O-N 3.47Å
271	G	92.2	Very high	95.1	Very high	30 Å²	30	61 Å²	61	31%	0.309	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-70.3	166.4	178.3	0	0	0	0	0	113.4	Q266 A268 E269	Q266-G271 PolarHBondContact NE2-O 2.86Å; A268-G271 PolarHBondContact O-N 2.99Å; E269-G271 PolarHBondContact O-N 3.26Å
272	S	94.8	Very high	94.8	Very high	103 Å²	103	62 Å²	62	72%	0.72	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-67.1	157.3	173	53.9	0	0	0	0	112
273	I	96.3	Very high	94.6	Very high	30 Å²	30	62.3 Å²	62.3	15%	0.154	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.6	174.1	-58.3	158.4	0	0	0	107.9	I253 W275	I253-I273 HydrophobicContact CB-CD1 4.38Å; I253-I273 HydrophobicContact CD1-CG1 4.37Å; I253-I273 HydrophobicContact CG1-CD1 3.44Å; I253-I273 VanDerWaalsContact CG1-CD1 3.44Å; I253-I273 HydrophobicContact CG1-CG1 3.75Å; I253-I273 HydrophobicContact CG1-CG2 4.1Å; I253-I273 HydrophobicContact CG2-CG2 4.48Å; I273-W275 HydrophobicContact CB-CZ2 4.01Å; I273-W275 HydrophobicContact CD1-CH2 4.38Å; I273-W275 HydrophobicContact CD1-CZ2 3.95Å; I273-W275 HydrophobicContact CG2-CD2 3.86Å; I273-W275 HydrophobicContact CG2-CE3 4.08Å; I273-W275 HydrophobicContact CG2-CH2 3.83Å; I273-W275 HydrophobicContact CG2-CZ2 3.61Å; I273-W275 HydrophobicContact CG2-CZ3 4.05Å
274	E	96.8	Very high	94.5	Very high	87 Å²	87	64.6 Å²	64.6	41%	0.407	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.9	172	-67.3	175.6	-162.4	0	0	109.3	G264 T265 R267	G264-E274 WeakPolarHBondContact CA-O 3.25Å; T265-E274 PolarHBondContact N-O 3.34Å; T265-E274 PolarHBondContact O-N 3.36Å; R267-E274 WeakPolarHBondContact CD-OE1 3.1Å; R267-E274 IonicContact CZ-OE2 2.77Å; R267-E274 VanDerWaalsContact CZ-OE2 3.24Å; R267-E274 IonicContact NE-OE1 3.76Å; R267-E274 PolarHBondContact NE-OE1 3.05Å; R267-E274 IonicContact NE-OE2 3.9Å; R267-E274 PolarHBondContact NE-OE2 3.07Å; R267-E274 IonicContact NH2-OE2 3.85Å; R267-E274 PolarHBondContact NH2-OE2 2.92Å
275	W	97.6	Very high	94.5	Very high	70 Å²	70	64.8 Å²	64.8	27%	0.265	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.2	178	-57.8	106.9	0	0	0	111.5	I253 K257 P258 A261 A263 I273 Y277	I253-W275 HydrophobicContact CB-CH2 4.42Å; I253-W275 HydrophobicContact CG2-CH2 3.94Å; I253-W275 HydrophobicContact CG2-CZ3 3.91Å; I253-W275 WeakPolarHBondContact O-CH2 3.32Å; K257-W275 VanDerWaalsContact CA-CH2 3.49Å; K257-W275 HydrophobicContact CB-CH2 4.01Å; K257-W275 HydrophobicContact CB-CZ3 3.87Å; K257-W275 HydrophobicContact CD-CZ3 4.49Å; K257-W275 HydrophobicContact CG-CE3 4.09Å; K257-W275 HydrophobicContact CG-CH2 4.29Å; K257-W275 HydrophobicContact CG-CZ3 3.65Å; P258-W275 HydrophobicContact CG-CD2 3.94Å; P258-W275 HydrophobicContact CG-CG 3.86Å; A261-W275 HydrophobicContact CB-CB 4.34Å; A261-W275 HydrophobicContact CB-CE3 4.22Å; A263-W275 WeakPolarHBondContact O-CA 3.49Å; I273-W275 HydrophobicContact CB-CZ2 4.01Å; I273-W275 HydrophobicContact CD1-CH2 4.38Å; I273-W275 HydrophobicContact CD1-CZ2 3.95Å; I273-W275 HydrophobicContact CG2-CD2 3.86Å; I273-W275 HydrophobicContact CG2-CE3 4.08Å; I273-W275 HydrophobicContact CG2-CH2 3.83Å; I273-W275 HydrophobicContact CG2-CZ2 3.61Å; I273-W275 HydrophobicContact CG2-CZ3 4.05Å; W275-Y277 HydrophobicContact CB-CE2 4.44Å
276	S	97.2	Very high	94.4	Very high	43 Å²	43	63.5 Å²	63.5	30%	0.301	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.1	172.6	-170.3	0	0	0	0	111.7	A261 I262 A263 H278	A261-S276 WeakPolarHBondContact CA-O 3.34Å; I262-S276 PolarHBondContact N-O 2.92Å; A263-S276 PolarHBondContact N-O 3.23Å; A263-S276 PolarHBondContact O-N 3.49Å; S276-H278 PolarHBondContact OG-N 2.76Å; S276-H278 PolarHBondContact OG-O 2.87Å
277	Y	97.8	Very high	94.3	Very high	105 Å²	105	68.9 Å²	68.9	41%	0.412	37%	0.367	S	S	.	.	S	Bend	trans	-108.9	1	176.5	-57.6	-90.8	0	0	0	112	P258 M259 G260 A261 W275 V294	P258-Y277 WeakPolarHBondContact CB-OH 3.47Å; M259-Y277 WeakPolarHBondContact O-CE1 3.29Å; G260-Y277 VanDerWaalsContact C-CD1 3.45Å; G260-Y277 WeakPolarHBondContact O-CD1 3.36Å; A261-Y277 HydrophobicContact CB-CD1 4.24Å; A261-Y277 HydrophobicContact CB-CE1 3.83Å; W275-Y277 HydrophobicContact CB-CE2 4.44Å; Y277-V294 VanDerWaalsContact O-CG1 3.27Å; Y277-V294 WeakPolarHBondContact O-CG1 3.38Å
278	H	97.1	Very high	94.4	Very high	136 Å²	136	61.1 Å²	61.1	63%	0.63	34%	0.339	S	S	*	.	S	Bend	trans	-134.5	154.2	-178.2	-54	-58.3	0	0	0	110.1	S276	S276-H278 PolarHBondContact OG-N 2.76Å; S276-H278 PolarHBondContact OG-O 2.87Å
279	L	96.9	Very high	94.6	Very high	14 Å²	14	58.7 Å²	58.7	7%	0.073	32%	0.319	C	S	.	.			trans	-67.1	145.3	170.3	-69.6	170.2	0	0	0	109.7	Y228 A231 T232 I262 C283 L285 K290 L293 V294 L297	Y228-L279 HydrophobicContact CD2-CD2 3.85Å; Y228-L279 HydrophobicContact CE2-CD2 3.77Å; A231-L279 HydrophobicContact CB-CD2 4.46Å; T232-L279 HydrophobicContact CG2-CD2 3.65Å; I262-L279 HydrophobicContact CD1-CD2 4.1Å; I262-L279 HydrophobicContact CD1-CG 4.19Å; L279-C283 HydrophobicContact CB-CB 4.32Å; L279-L285 HydrophobicContact CD1-CD1 4.34Å; L279-K290 HydrophobicContact CB-CG 4.45Å; L279-K290 HydrophobicContact CD1-CG 3.95Å; L279-L293 HydrophobicContact CD1-CD2 4.03Å; L279-V294 HydrophobicContact CD1-CG2 4.3Å; L279-V294 HydrophobicContact CG-CG2 4.1Å; L279-L297 HydrophobicContact CD2-CD1 4.11Å
280	P	93.9	Very high	94.8	Very high	39 Å²	39	52.4 Å²	52.4	25%	0.253	29%	0.289	S	S	.	.			trans	-62.5	153.1	-176.3	26.4	-35	0	0	0	111.6	T232 S282 C283	T232-P280 HydrophobicContact CG2-CG 3.79Å; P280-S282 PolarHBondContact O-N 2.88Å; P280-S282 VanDerWaalsContact O-N 3.11Å; P280-C283 HydrophobicContact CG-CB 4.25Å; P280-C283 WeakPolarHBondContact O-CB 3.28Å; P280-C283 PolarHBondContact O-N 2.81Å
281	Y	89.8	Confident	95.2	Very high	101 Å²	101	51.7 Å²	51.7	40%	0.396	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.1	178.4	68.8	-94.2	0	0	0	113.4	C283 R411 E414	Y281-C283 VanDerWaalsContact C-N 3.27Å; Y281-R411 HydrophobicContact CD2-CB 3.68Å; Y281-R411 HydrophobicContact CD2-CG 4Å; Y281-R411 HydrophobicContact CE2-CB 3.86Å; Y281-R411 HydrophobicContact CE2-CG 3.73Å; Y281-R411 HydrophobicContact CG-CB 4.33Å; Y281-E414 PolarHBondContact OH-OE1 3.41Å
282	S	91	Very high	95.4	Very high	23 Å²	23	52 Å²	52	16%	0.161	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.2	176.2	52.6	0	0	0	0	113.6	P280	P280-S282 PolarHBondContact O-N 2.88Å; P280-S282 VanDerWaalsContact O-N 3.11Å
283	C	94.4	Very high	95.5	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.041	24%	0.237	C	C	.	.			trans	-63	130.5	177.9	174.1	0	0	0	0	110.9	A231 L279 P280 Y281 L285 K290	A231-C283 PolarHBondContact O-SG 3.5Å; L279-C283 HydrophobicContact CB-CB 4.32Å; P280-C283 HydrophobicContact CG-CB 4.25Å; P280-C283 WeakPolarHBondContact O-CB 3.28Å; P280-C283 PolarHBondContact O-N 2.81Å; Y281-C283 VanDerWaalsContact C-N 3.27Å; C283-L285 VanDerWaalsContact C-N 3.29Å; C283-L285 PolarHBondContact O-N 3.48Å; C283-K290 PolarHBondContact O-NZ 3.34Å; C283-K290 VanDerWaalsContact SG-CE 3.56Å
284	Q	94.9	Very high	95.6	Very high	52 Å²	52	47 Å²	47	24%	0.243	24%	0.236	C	C	.	.			trans	-72.8	-16.5	-175.8	-53.3	-162.9	47.8	0	0	114.4	G122	G122-Q284 PolarHBondContact O-NE2 3.4Å
285	L	96.8	Very high	95.7	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	24%	0.238	C	C	.	.	S	Bend	trans	-66.8	142.1	-177.4	-53.1	-175.4	0	0	0	111.4	E125 F128 A231 L279 C283 L289 K290 L293	E125-L285 HydrophobicContact CB-CD2 4.1Å; E125-L285 HydrophobicContact CG-CD2 4.23Å; F128-L285 HydrophobicContact CB-CD2 3.91Å; F128-L285 HydrophobicContact CD1-CD1 4.06Å; F128-L285 HydrophobicContact CD1-CD2 4.09Å; F128-L285 HydrophobicContact CE1-CD1 4.12Å; F128-L285 HydrophobicContact CG-CD1 4.3Å; F128-L285 HydrophobicContact CG-CD2 3.95Å; F128-L285 HydrophobicContact CZ-CD1 4.4Å; A231-L285 HydrophobicContact CB-CD1 3.79Å; L279-L285 HydrophobicContact CD1-CD1 4.34Å; C283-L285 VanDerWaalsContact C-N 3.29Å; C283-L285 PolarHBondContact O-N 3.48Å; L285-L289 HydrophobicContact CB-CD2 4.48Å; L285-L289 HydrophobicContact CD1-CD2 4.25Å; L285-L289 HydrophobicContact CD2-CD2 4.1Å; L285-L289 HydrophobicContact CG-CD2 4.5Å; L285-K290 HydrophobicContact CB-CG 4.06Å; L285-K290 WeakPolarHBondContact O-CD 3.28Å; L285-K290 WeakPolarHBondContact O-CE 3.23Å; L285-K290 PolarHBondContact O-NZ 3.08Å; L285-L293 HydrophobicContact CD1-CD2 3.7Å
286	S	95.1	Very high	95.7	Very high	19 Å²	19	43 Å²	43	13%	0.133	23%	0.227	C	C	.	.			trans	-60.4	155.2	174	67.1	0	0	0	0	111.6	E125 G288 L289 K290	E125-S286 PolarHBondContact OE1-OG 2.88Å; E125-S286 WeakPolarHBondContact OE2-CB 3.3Å; E125-S286 PolarHBondContact OE2-N 3.35Å; E125-S286 PolarHBondContact OE2-OG 3.3Å; S286-G288 PolarHBondContact O-N 2.91Å; S286-L289 PolarHBondContact O-N 3.12Å; S286-L289 PolarHBondContact OG-N 3.26Å; S286-K290 WeakPolarHBondContact O-CB 3.47Å; S286-K290 VanDerWaalsContact O-CG 3.29Å; S286-K290 WeakPolarHBondContact O-CG 3.4Å; S286-K290 PolarHBondContact O-N 2.85Å
287	Q	92.8	Very high	95.8	Very high	130 Å²	130	41 Å²	41	61%	0.607	21%	0.213	S	C	*	.	H	α-helix	trans	-61.2	-36.3	178.4	-173.7	60	17.5	0	0	112	K290 A291	Q287-K290 PolarHBondContact O-N 3.25Å; Q287-A291 PolarHBondContact O-N 3.06Å
288	G	94.3	Very high	95.7	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-48.2	175	0	0	0	0	0	112.5	S286 A291 L292	S286-G288 PolarHBondContact O-N 2.91Å; G288-A291 PolarHBondContact O-N 3.18Å; G288-L292 PolarHBondContact O-N 3.47Å
289	L	96.8	Very high	95.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-36.6	177.9	-174.8	59.2	0	0	0	112.4	E125 F128 L129 L285 S286 A291 L292 L293 V321 Y341	E125-L289 HydrophobicContact CG-CD2 3.64Å; F128-L289 HydrophobicContact CD1-CD2 4.14Å; L129-L289 HydrophobicContact CD2-CD1 3.95Å; L129-L289 HydrophobicContact CD2-CD2 4.01Å; L129-L289 HydrophobicContact CG-CD2 4.17Å; L285-L289 HydrophobicContact CB-CD2 4.48Å; L285-L289 HydrophobicContact CD1-CD2 4.25Å; L285-L289 HydrophobicContact CD2-CD2 4.1Å; L285-L289 HydrophobicContact CG-CD2 4.5Å; S286-L289 PolarHBondContact O-N 3.12Å; S286-L289 PolarHBondContact OG-N 3.26Å; L289-A291 VanDerWaalsContact C-N 3.29Å; L289-A291 PolarHBondContact O-N 3.38Å; L289-L292 PolarHBondContact O-N 3.03Å; L289-L293 VanDerWaalsContact O-CB 3.32Å; L289-L293 WeakPolarHBondContact O-CB 3.28Å; L289-L293 PolarHBondContact O-N 3.3Å; L289-V321 HydrophobicContact CD1-CG1 3.71Å; L289-Y341 HydrophobicContact CB-CD2 4.48Å; L289-Y341 HydrophobicContact CB-CE2 3.82Å
290	K	96.8	Very high	95.6	Very high	30 Å²	30	30.1 Å²	30.1	13%	0.13	17%	0.171	C	C	.	.	H	α-helix	trans	-57.4	-43.1	174.3	-74.2	170.3	170.6	150	0	111.3	L279 C283 L285 S286 Q287 L292 L293 V294	L279-K290 HydrophobicContact CB-CG 4.45Å; L279-K290 HydrophobicContact CD1-CG 3.95Å; C283-K290 PolarHBondContact O-NZ 3.34Å; C283-K290 VanDerWaalsContact SG-CE 3.56Å; L285-K290 HydrophobicContact CB-CG 4.06Å; L285-K290 WeakPolarHBondContact O-CD 3.28Å; L285-K290 WeakPolarHBondContact O-CE 3.23Å; L285-K290 PolarHBondContact O-NZ 3.08Å; S286-K290 WeakPolarHBondContact O-CB 3.47Å; S286-K290 VanDerWaalsContact O-CG 3.29Å; S286-K290 WeakPolarHBondContact O-CG 3.4Å; S286-K290 PolarHBondContact O-N 2.85Å; Q287-K290 PolarHBondContact O-N 3.25Å; K290-L292 VanDerWaalsContact C-N 3.28Å; K290-L292 PolarHBondContact O-N 2.89Å; K290-L293 PolarHBondContact O-N 2.81Å; K290-V294 WeakPolarHBondContact O-CB 3.36Å; K290-V294 VanDerWaalsContact O-CG2 3.24Å; K290-V294 WeakPolarHBondContact O-CG2 3.41Å; K290-V294 PolarHBondContact O-N 3.41Å
291	A	95.4	Very high	95.7	Very high	61 Å²	61	28.3 Å²	28.3	50%	0.504	16%	0.159	S	C	.	.	H	α-helix	trans	-61.6	-35.5	178.9	0	0	0	0	0	112.6	Q287 G288 L289 P295	Q287-A291 PolarHBondContact O-N 3.06Å; G288-A291 PolarHBondContact O-N 3.18Å; L289-A291 VanDerWaalsContact C-N 3.29Å; L289-A291 PolarHBondContact O-N 3.38Å; A291-P295 WeakPolarHBondContact O-CD 3.48Å
292	L	96.9	Very high	95.8	Very high	36 Å²	36	24 Å²	24	19%	0.188	14%	0.142	C	C	.	.	H	α-helix	trans	-79	-37.2	177.3	-64.2	176.1	0	0	0	113.1	G288 L289 K290 V321 Y341	G288-L292 PolarHBondContact O-N 3.47Å; L289-L292 PolarHBondContact O-N 3.03Å; K290-L292 VanDerWaalsContact C-N 3.28Å; K290-L292 PolarHBondContact O-N 2.89Å; L292-V321 HydrophobicContact CB-CG1 4.49Å; L292-V321 HydrophobicContact CB-CG2 3.84Å; L292-V321 HydrophobicContact CD1-CG1 4.42Å; L292-V321 HydrophobicContact CD1-CG2 4.46Å; L292-Y341 HydrophobicContact CD1-CD1 4.46Å; L292-Y341 HydrophobicContact CD1-CG 4.05Å
293	L	97.9	Very high	95.6	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-80.5	-37.5	-173.5	179.7	63.8	0	0	0	113.5	F128 A231 L279 L285 L289 K290 V296 L297	F128-L293 HydrophobicContact CE1-CD1 4.24Å; F128-L293 HydrophobicContact CE1-CD2 3.63Å; F128-L293 HydrophobicContact CE2-CD2 4.29Å; F128-L293 HydrophobicContact CZ-CD1 3.95Å; F128-L293 HydrophobicContact CZ-CD2 3.36Å; F128-L293 HydrophobicContact CZ-CG 4.31Å; A231-L293 HydrophobicContact CB-CD2 4.37Å; L279-L293 HydrophobicContact CD1-CD2 4.03Å; L285-L293 HydrophobicContact CD1-CD2 3.7Å; L289-L293 VanDerWaalsContact O-CB 3.32Å; L289-L293 WeakPolarHBondContact O-CB 3.28Å; L289-L293 PolarHBondContact O-N 3.3Å; K290-L293 PolarHBondContact O-N 2.81Å; L293-V296 WeakPolarHBondContact O-CB 3.48Å; L293-V296 PolarHBondContact O-N 2.99Å; L293-V296 VanDerWaalsContact O-N 3.12Å; L293-L297 HydrophobicContact CD1-CD1 4.49Å; L293-L297 HydrophobicContact CD1-CG 4.15Å; L293-L297 HydrophobicContact CD2-CD1 4.23Å; L293-L297 HydrophobicContact CG-CD1 3.91Å; L293-L297 HydrophobicContact CG-CG 4.04Å; L293-L297 PolarHBondContact O-N 2.89Å
294	V	98.1	Very high	95.2	Very high	24 Å²	24	26.5 Å²	26.5	15%	0.145	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-45	-176.1	164.7	0	0	0	0	112.6	I262 Y277 L279 K290 V296 L297 A298	I262-V294 HydrophobicContact CD1-CG1 4.38Å; I262-V294 HydrophobicContact CD1-CG2 4.08Å; Y277-V294 VanDerWaalsContact O-CG1 3.27Å; Y277-V294 WeakPolarHBondContact O-CG1 3.38Å; L279-V294 HydrophobicContact CD1-CG2 4.3Å; L279-V294 HydrophobicContact CG-CG2 4.1Å; K290-V294 WeakPolarHBondContact O-CB 3.36Å; K290-V294 VanDerWaalsContact O-CG2 3.24Å; K290-V294 WeakPolarHBondContact O-CG2 3.41Å; K290-V294 PolarHBondContact O-N 3.41Å; V294-V296 VanDerWaalsContact C-N 3.32Å; V294-V296 PolarHBondContact O-N 3.29Å; V294-L297 PolarHBondContact O-N 3.48Å; V294-A298 WeakPolarHBondContact O-CB 3.43Å; V294-A298 PolarHBondContact O-N 3.28Å
295	P	97.8	Very high	94.5	Very high	69 Å²	69	27.9 Å²	27.9	45%	0.448	16%	0.162	S	C	.	.	H	α-helix	trans	-60	-39.6	174.9	-25.5	35.4	0	0	0	113.4	A291 A298 G299	A291-P295 WeakPolarHBondContact O-CD 3.48Å; P295-A298 PolarHBondContact O-N 2.87Å; P295-G299 PolarHBondContact O-N 2.89Å
296	V	98	Very high	93.9	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-49.9	176.5	179.1	0	0	0	0	110.2	L293 V294 A298 G299 I300 W309 F314 A317 T318	L293-V296 WeakPolarHBondContact O-CB 3.48Å; L293-V296 PolarHBondContact O-N 2.99Å; L293-V296 VanDerWaalsContact O-N 3.12Å; V294-V296 VanDerWaalsContact C-N 3.32Å; V294-V296 PolarHBondContact O-N 3.29Å; V296-A298 VanDerWaalsContact C-N 3.34Å; V296-A298 PolarHBondContact O-N 3.49Å; V296-G299 PolarHBondContact O-N 3.33Å; V296-I300 HydrophobicContact CG1-CD1 4.25Å; V296-I300 WeakPolarHBondContact O-CG1 3Å; V296-I300 PolarHBondContact O-N 2.92Å; V296-W309 HydrophobicContact CB-CZ3 4.25Å; V296-W309 HydrophobicContact CG1-CZ3 4.2Å; V296-W309 HydrophobicContact CG2-CH2 4.2Å; V296-W309 HydrophobicContact CG2-CZ3 4.11Å; V296-F314 HydrophobicContact CG1-CD2 4.22Å; V296-F314 HydrophobicContact CG1-CE2 4.36Å; V296-A317 HydrophobicContact CG2-CB 3.95Å; V296-T318 HydrophobicContact CG1-CG2 3.98Å
297	L	98.2	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-44.9	177.7	-73.6	178.5	0	0	0	112	G224 L227 Y228 I262 L279 L293 V294 G299 M301	G224-L297 WeakPolarHBondContact O-CD2 3.28Å; L227-L297 HydrophobicContact CB-CD2 3.88Å; Y228-L297 HydrophobicContact CD2-CD1 4.33Å; I262-L297 HydrophobicContact CD1-CD1 4.46Å; I262-L297 HydrophobicContact CG2-CB 3.98Å; L279-L297 HydrophobicContact CD2-CD1 4.11Å; L293-L297 HydrophobicContact CD1-CD1 4.49Å; L293-L297 HydrophobicContact CD1-CG 4.15Å; L293-L297 HydrophobicContact CD2-CD1 4.23Å; L293-L297 HydrophobicContact CG-CD1 3.91Å; L293-L297 HydrophobicContact CG-CG 4.04Å; L293-L297 PolarHBondContact O-N 2.89Å; V294-L297 PolarHBondContact O-N 3.48Å; L297-G299 VanDerWaalsContact C-N 3.34Å; L297-G299 PolarHBondContact O-N 3.5Å; L297-M301 HydrophobicContact CB-CE 3.83Å; L297-M301 HydrophobicContact CD2-CE 4.21Å; L297-M301 VanDerWaalsContact O-CB 3.29Å; L297-M301 WeakPolarHBondContact O-CB 3.46Å; L297-M301 WeakPolarHBondContact O-CE 3.42Å; L297-M301 WeakPolarHBondContact O-CG 3.36Å; L297-M301 PolarHBondContact O-N 3.37Å
298	A	97.3	Very high	93.4	Very high	16 Å²	16	31 Å²	31	13%	0.132	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-39.5	177.9	0	0	0	0	0	112.6	I262 V294 P295 V296	I262-A298 HydrophobicContact CG2-CB 3.85Å; V294-A298 WeakPolarHBondContact O-CB 3.43Å; V294-A298 PolarHBondContact O-N 3.28Å; P295-A298 PolarHBondContact O-N 2.87Å; V296-A298 VanDerWaalsContact C-N 3.34Å; V296-A298 PolarHBondContact O-N 3.49Å
299	G	95.9	Very high	93.3	Very high	8 Å²	8	33.6 Å²	33.6	8%	0.082	20%	0.2	C	C	.	.	H	α-helix	trans	-72.9	-38.6	-178.7	0	0	0	0	0	114.6	P295 V296 L297 W309	P295-G299 PolarHBondContact O-N 2.89Å; V296-G299 PolarHBondContact O-N 3.33Å; L297-G299 VanDerWaalsContact C-N 3.34Å; L297-G299 PolarHBondContact O-N 3.5Å; G299-W309 PolarHBondContact O-N 3.46Å
300	I	95.6	Very high	93	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-87.4	-22.5	-179.2	69.5	-173.6	0	0	0	113.6	L220 W221 I223 G224 L227 V296 E302 W309 F314	L220-I300 HydrophobicContact CB-CB 4.14Å; L220-I300 HydrophobicContact CB-CG2 4.38Å; L220-I300 HydrophobicContact CD2-CG2 4.46Å; W221-I300 WeakPolarHBondContact CA-O 3.17Å; I223-I300 HydrophobicContact CG2-CD1 4.28Å; G224-I300 VanDerWaalsContact CA-CD1 3.48Å; L227-I300 HydrophobicContact CD1-CD1 4.48Å; V296-I300 HydrophobicContact CG1-CD1 4.25Å; V296-I300 WeakPolarHBondContact O-CG1 3Å; V296-I300 PolarHBondContact O-N 2.92Å; I300-E302 VanDerWaalsContact C-N 3.31Å; I300-E302 PolarHBondContact O-N 3.15Å; I300-W309 HydrophobicContact CG2-CB 4.17Å; I300-W309 HydrophobicContact CG2-CE3 4.04Å; I300-F314 HydrophobicContact CD1-CD2 4.3Å; I300-F314 HydrophobicContact CD1-CE2 4.12Å; I300-F314 HydrophobicContact CG2-CB 4.33Å; I300-F314 HydrophobicContact CG2-CD2 3.75Å; I300-F314 HydrophobicContact CG2-CG 4.4Å
301	M	95.7	Very high	92.7	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-95.8	49.3	169	-60	-173.2	-67.1	0	0	110.5	W221 G224 V225 P236 F237 K257 I262 L297	W221-M301 HydrophobicContact CE3-CB 4.25Å; W221-M301 VanDerWaalsContact CZ3-C 3.48Å; W221-M301 HydrophobicContact CZ3-CB 4.25Å; G224-M301 VanDerWaalsContact C-SD 3.51Å; V225-M301 HydrophobicContact CG2-SD 4.21Å; P236-M301 HydrophobicContact CG-SD 4.3Å; F237-M301 HydrophobicContact CE2-SD 4.21Å; F237-M301 HydrophobicContact CZ-SD 4.43Å; K257-M301 WeakPolarHBondContact CE-O 3.31Å; K257-M301 PolarHBondContact NZ-O 3.1Å; I262-M301 HydrophobicContact CB-CE 3.93Å; I262-M301 HydrophobicContact CG2-CE 4.35Å; I262-M301 WeakPolarHBondContact O-CE 3.44Å; L297-M301 HydrophobicContact CB-CE 3.83Å; L297-M301 HydrophobicContact CD2-CE 4.21Å; L297-M301 VanDerWaalsContact O-CB 3.29Å; L297-M301 WeakPolarHBondContact O-CB 3.46Å; L297-M301 WeakPolarHBondContact O-CE 3.42Å; L297-M301 WeakPolarHBondContact O-CG 3.36Å; L297-M301 PolarHBondContact O-N 3.37Å
302	E	93	Very high	92.6	Very high	10 Å²	10	36 Å²	36	5%	0.047	21%	0.212	C	C	.	.			trans	-107.4	125.9	172.8	-179.4	53.2	-95.4	0	0	109	I300 D304 R307 C308	I300-E302 VanDerWaalsContact C-N 3.31Å; I300-E302 PolarHBondContact O-N 3.15Å; E302-D304 HydrophobicContact CG-CB 4.38Å; E302-D304 PolarHBondContact OE1-N 2.94Å; E302-R307 HydrophobicContact CG-CB 3.9Å; E302-C308 HydrophobicContact CB-CB 3.99Å; E302-C308 HydrophobicContact CG-CB 4.33Å; E302-C308 WeakPolarHBondContact O-CB 3.15Å
303	A	86.8	Confident	92.5	Very high	17 Å²	17	39.2 Å²	39.2	14%	0.14	23%	0.226	C	C	.	.			trans	-81.6	-25.4	-174.6	0	0	0	0	0	111.6	P198 W221 Q305	P198-A303 HydrophobicContact CG-CB 3.7Å; W221-A303 HydrophobicContact CZ3-CB 4.15Å; A303-Q305 PolarHBondContact O-N 3.22Å
304	D	85.5	Confident	92.4	Very high	65 Å²	65	39 Å²	39	35%	0.348	23%	0.225	S	C	.	.			trans	-77.7	112.7	176.5	-173.4	-19.9	0	0	0	111.1	E302 G306 R307 C308	E302-D304 HydrophobicContact CG-CB 4.38Å; E302-D304 PolarHBondContact OE1-N 2.94Å; D304-G306 PolarHBondContact O-N 3.14Å; D304-G306 VanDerWaalsContact O-N 3.14Å; D304-G306 PolarHBondContact OD1-N 2.73Å; D304-R307 HydrophobicContact CB-CB 4.33Å; D304-R307 PolarHBondContact O-N 3.35Å; D304-R307 IonicContact OD2-CZ 3.23Å; D304-R307 VanDerWaalsContact OD2-CZ 3.25Å; D304-R307 IonicContact OD2-NE 3.78Å; D304-R307 PolarHBondContact OD2-NE 3.4Å; D304-R307 IonicContact OD2-NH2 3.35Å; D304-R307 PolarHBondContact OD2-NH2 3.45Å; D304-C308 PolarHBondContact O-N 3.4Å
305	Q	80.6	Confident	92.3	Very high	81 Å²	81	38.7 Å²	38.7	38%	0.379	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.9	-178.5	-63	-172.1	-1.4	0	0	113.8	D199 A303 R307 C308	D199-Q305 PolarHBondContact OD2-NE2 3.4Å; A303-Q305 PolarHBondContact O-N 3.22Å; Q305-R307 VanDerWaalsContact C-N 3.29Å; Q305-C308 PolarHBondContact O-SG 3.42Å
306	G	83	Confident	92.2	Very high	72 Å²	72	40.3 Å²	40.3	74%	0.742	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-14.8	176.5	0	0	0	0	0	113.7	D304	D304-G306 PolarHBondContact O-N 3.14Å; D304-G306 VanDerWaalsContact O-N 3.14Å; D304-G306 PolarHBondContact OD1-N 2.73Å
307	R	87.9	Confident	92.2	Very high	119 Å²	119	41.2 Å²	41.2	45%	0.449	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-16.4	-176.4	-67.2	-175.4	-76	156.5	3.4	113.4	E302 D304 Q305	E302-R307 HydrophobicContact CG-CB 3.9Å; D304-R307 HydrophobicContact CB-CB 4.33Å; D304-R307 PolarHBondContact O-N 3.35Å; D304-R307 IonicContact OD2-CZ 3.23Å; D304-R307 VanDerWaalsContact OD2-CZ 3.25Å; D304-R307 IonicContact OD2-NE 3.78Å; D304-R307 PolarHBondContact OD2-NE 3.4Å; D304-R307 IonicContact OD2-NH2 3.35Å; D304-R307 PolarHBondContact OD2-NH2 3.45Å; Q305-R307 VanDerWaalsContact C-N 3.29Å
308	C	89.4	Confident	92.2	Very high	26 Å²	26	41.3 Å²	41.3	18%	0.176	24%	0.239	C	C	.	.	S	Bend	trans	-65.7	147.4	178.6	73.5	0	0	0	0	112.1	E302 D304 Q305	E302-C308 HydrophobicContact CB-CB 3.99Å; E302-C308 HydrophobicContact CG-CB 4.33Å; E302-C308 WeakPolarHBondContact O-CB 3.15Å; D304-C308 PolarHBondContact O-N 3.4Å; Q305-C308 PolarHBondContact O-SG 3.42Å
309	W	92.9	Very high	92.1	Very high	58 Å²	58	43.1 Å²	43.1	22%	0.22	25%	0.248	C	C	.	.			trans	-67.2	144.1	176.7	-76.1	16.2	0	0	0	112.2	L220 V296 G299 I300 Q313 A317	L220-W309 WeakPolarHBondContact CD1-O 3.44Å; V296-W309 HydrophobicContact CB-CZ3 4.25Å; V296-W309 HydrophobicContact CG1-CZ3 4.2Å; V296-W309 HydrophobicContact CG2-CH2 4.2Å; V296-W309 HydrophobicContact CG2-CZ3 4.11Å; G299-W309 PolarHBondContact O-N 3.46Å; I300-W309 HydrophobicContact CG2-CB 4.17Å; I300-W309 HydrophobicContact CG2-CE3 4.04Å; W309-Q313 HydrophobicContact CB-CB 4.26Å; W309-Q313 HydrophobicContact CD2-CB 4.05Å; W309-Q313 HydrophobicContact CE3-CB 4.12Å; W309-Q313 HydrophobicContact CG-CB 4.14Å; W309-A317 HydrophobicContact CH2-CB 3.79Å; W309-A317 HydrophobicContact CZ3-CB 3.54Å
310	G	90.8	Very high	92.2	Very high	28 Å²	28	45.2 Å²	45.2	29%	0.289	26%	0.258	S	S	.	.			trans	-86.7	174.1	164.3	0	0	0	0	0	112.3	D312 Q313 F314	G310-D312 VanDerWaalsContact C-N 3.33Å; G310-D312 PolarHBondContact O-N 3.04Å; G310-Q313 PolarHBondContact O-N 3.41Å; G310-F314 PolarHBondContact O-N 2.95Å; G310-F314 VanDerWaalsContact O-N 3.12Å
311	F	90.3	Very high	92.3	Very high	13 Å²	13	45.4 Å²	45.4	6%	0.057	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-41.7	177.6	-86.7	-48.3	0	0	0	113.1	M139 R143 V216 L220 Q313 F314 F315	M139-F311 HydrophobicContact CE-CE1 3.89Å; M139-F311 HydrophobicContact CE-CZ 3.94Å; R143-F311 HydrophobicContact CB-CE2 4.49Å; R143-F311 HydrophobicContact CG-CD2 4.23Å; V216-F311 HydrophobicContact CB-CD2 3.7Å; V216-F311 HydrophobicContact CB-CE2 3.34Å; V216-F311 HydrophobicContact CB-CZ 3.93Å; V216-F311 HydrophobicContact CG1-CD2 3.69Å; V216-F311 HydrophobicContact CG1-CE2 3.25Å; V216-F311 HydrophobicContact CG1-CZ 4.2Å; V216-F311 HydrophobicContact CG2-CD2 4.13Å; V216-F311 HydrophobicContact CG2-CE2 4.27Å; L220-F311 HydrophobicContact CD1-CD1 4.44Å; L220-F311 HydrophobicContact CD2-CD1 3.88Å; L220-F311 HydrophobicContact CD2-CE1 3.88Å; L220-F311 HydrophobicContact CG-CD1 4.32Å; L220-F311 HydrophobicContact CG-CE1 4.21Å; F311-Q313 PolarHBondContact O-N 3.03Å; F311-F314 PolarHBondContact O-N 2.84Å; F311-F315 HydrophobicContact CB-CD2 3.94Å; F311-F315 HydrophobicContact CB-CE2 3.73Å; F311-F315 HydrophobicContact CD1-CD2 4.38Å; F311-F315 AromaticContact CD1-CE2 3.56Å; F311-F315 HydrophobicContact CD1-CE2 3.56Å; F311-F315 AromaticContact CD1-CZ 3.99Å; F311-F315 HydrophobicContact CD1-CZ 3.99Å; F311-F315 HydrophobicContact CE1-CE2 4.4Å; F311-F315 HydrophobicContact CE1-CZ 4.45Å; F311-F315 AromaticContact CG-CE2 3.84Å; F311-F315 HydrophobicContact CG-CE2 3.84Å; F311-F315 WeakPolarHBondContact O-CB 3.47Å; F311-F315 WeakPolarHBondContact O-CD2 3.24Å; F311-F315 WeakPolarHBondContact O-CG 3.44Å; F311-F315 PolarHBondContact O-N 3.12Å
312	D	92.1	Very high	92.4	Very high	101 Å²	101	48 Å²	48	54%	0.54	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-42.4	-178	-67.3	-43.8	0	0	0	112.8	R143 G310 T316	R143-D312 IonicContact CZ-OD1 3.76Å; R143-D312 IonicContact NH1-OD1 3.69Å; R143-D312 PolarHBondContact NH1-OD1 3.13Å; R143-D312 VanDerWaalsContact NH2-CG 3.29Å; R143-D312 IonicContact NH2-OD1 3.15Å; R143-D312 PolarHBondContact NH2-OD1 3.48Å; R143-D312 IonicContact NH2-OD2 3.47Å; R143-D312 PolarHBondContact NH2-OD2 2.99Å; G310-D312 VanDerWaalsContact C-N 3.33Å; G310-D312 PolarHBondContact O-N 3.04Å; D312-T316 VanDerWaalsContact O-CB 3.24Å; D312-T316 WeakPolarHBondContact O-CB 3.01Å; D312-T316 PolarHBondContact O-N 3.46Å; D312-T316 PolarHBondContact O-OG1 2.9Å
313	Q	94.9	Very high	92.5	Very high	104 Å²	104	52.5 Å²	52.5	49%	0.486	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-45	175.8	-68.8	172.8	-52.3	0	0	111	W309 G310 F311 T316 A317	W309-Q313 HydrophobicContact CB-CB 4.26Å; W309-Q313 HydrophobicContact CD2-CB 4.05Å; W309-Q313 HydrophobicContact CE3-CB 4.12Å; W309-Q313 HydrophobicContact CG-CB 4.14Å; G310-Q313 PolarHBondContact O-N 3.41Å; F311-Q313 PolarHBondContact O-N 3.03Å; Q313-T316 PolarHBondContact O-N 2.91Å; Q313-A317 VanDerWaalsContact O-CB 3.3Å; Q313-A317 WeakPolarHBondContact O-CB 3.29Å; Q313-A317 PolarHBondContact O-N 2.66Å
314	F	95.7	Very high	93	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-50.3	176.7	171.1	-105.9	0	0	0	112.4	V136 L220 I223 V296 I300 G310 F311 A317 T318	V136-F314 HydrophobicContact CG2-CE1 4.18Å; V136-F314 HydrophobicContact CG2-CZ 3.95Å; L220-F314 HydrophobicContact CD2-CB 3.92Å; L220-F314 HydrophobicContact CD2-CD1 3.75Å; L220-F314 HydrophobicContact CD2-CD2 4.15Å; L220-F314 HydrophobicContact CD2-CE1 4.31Å; L220-F314 HydrophobicContact CD2-CG 3.65Å; I223-F314 HydrophobicContact CG2-CE2 4.19Å; I223-F314 HydrophobicContact CG2-CZ 4.03Å; V296-F314 HydrophobicContact CG1-CD2 4.22Å; V296-F314 HydrophobicContact CG1-CE2 4.36Å; I300-F314 HydrophobicContact CD1-CD2 4.3Å; I300-F314 HydrophobicContact CD1-CE2 4.12Å; I300-F314 HydrophobicContact CG2-CB 4.33Å; I300-F314 HydrophobicContact CG2-CD2 3.75Å; I300-F314 HydrophobicContact CG2-CG 4.4Å; G310-F314 PolarHBondContact O-N 2.95Å; G310-F314 VanDerWaalsContact O-N 3.12Å; F311-F314 PolarHBondContact O-N 2.84Å; F314-A317 PolarHBondContact O-N 3.34Å; F314-T318 HydrophobicContact CD2-CG2 3.86Å; F314-T318 HydrophobicContact CE2-CG2 3.51Å; F314-T318 HydrophobicContact CZ-CG2 3.95Å; F314-T318 WeakPolarHBondContact O-CB 3.48Å; F314-T318 WeakPolarHBondContact O-CG2 3.43Å; F314-T318 PolarHBondContact O-N 2.88Å; F314-T318 PolarHBondContact O-OG1 3.22Å
315	F	96	Very high	93.3	Very high	18 Å²	18	55.8 Å²	55.8	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-42	179.9	-72.4	-56.9	0	0	0	112.1	V136 M139 N140 F311 T318 T319	V136-F315 HydrophobicContact CG1-CD1 3.92Å; V136-F315 HydrophobicContact CG1-CE1 4.18Å; V136-F315 WeakPolarHBondContact O-CE1 3.47Å; M139-F315 HydrophobicContact CB-CE1 4.19Å; M139-F315 HydrophobicContact CB-CZ 4.02Å; N140-F315 HydrophobicContact CB-CD1 4.44Å; N140-F315 HydrophobicContact CB-CE1 3.81Å; N140-F315 HydrophobicContact CB-CZ 3.99Å; F311-F315 HydrophobicContact CB-CD2 3.94Å; F311-F315 HydrophobicContact CB-CE2 3.73Å; F311-F315 HydrophobicContact CD1-CD2 4.38Å; F311-F315 AromaticContact CD1-CE2 3.56Å; F311-F315 HydrophobicContact CD1-CE2 3.56Å; F311-F315 AromaticContact CD1-CZ 3.99Å; F311-F315 HydrophobicContact CD1-CZ 3.99Å; F311-F315 HydrophobicContact CE1-CE2 4.4Å; F311-F315 HydrophobicContact CE1-CZ 4.45Å; F311-F315 AromaticContact CG-CE2 3.84Å; F311-F315 HydrophobicContact CG-CE2 3.84Å; F311-F315 WeakPolarHBondContact O-CB 3.47Å; F311-F315 WeakPolarHBondContact O-CD2 3.24Å; F311-F315 WeakPolarHBondContact O-CG 3.44Å; F311-F315 PolarHBondContact O-N 3.12Å; F315-T318 PolarHBondContact O-OG1 3.32Å; F315-T319 WeakPolarHBondContact O-CB 3.21Å; F315-T319 PolarHBondContact O-N 3.18Å; F315-T319 PolarHBondContact O-OG1 2.84Å
316	T	96.9	Very high	94	Very high	102 Å²	102	54 Å²	54	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-60.6	-50.9	176.7	-58.1	0	0	0	0	110.8	D312 Q313 D320	D312-T316 VanDerWaalsContact O-CB 3.24Å; D312-T316 WeakPolarHBondContact O-CB 3.01Å; D312-T316 PolarHBondContact O-N 3.46Å; D312-T316 PolarHBondContact O-OG1 2.9Å; Q313-T316 PolarHBondContact O-N 2.91Å; T316-D320 PolarHBondContact O-N 3.48Å
317	A	97.6	Very high	94.7	Very high	25 Å²	25	51.2 Å²	51.2	21%	0.207	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-45.2	-177.9	0	0	0	0	0	112.2	V296 W309 Q313 F314 D320 V321	V296-A317 HydrophobicContact CG2-CB 3.95Å; W309-A317 HydrophobicContact CH2-CB 3.79Å; W309-A317 HydrophobicContact CZ3-CB 3.54Å; Q313-A317 VanDerWaalsContact O-CB 3.3Å; Q313-A317 WeakPolarHBondContact O-CB 3.29Å; Q313-A317 PolarHBondContact O-N 2.66Å; F314-A317 PolarHBondContact O-N 3.34Å; A317-D320 WeakPolarHBondContact O-CB 3.4Å; A317-D320 PolarHBondContact O-N 2.76Å; A317-V321 WeakPolarHBondContact O-CG2 3.3Å; A317-V321 PolarHBondContact O-N 2.97Å; A317-V321 VanDerWaalsContact O-N 3.11Å
318	T	97.6	Very high	95.1	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-70	-34.5	-179.8	52.5	0	0	0	0	112.9	L132 V136 V296 F314 F315 V321 L322	L132-T318 HydrophobicContact CD1-CG2 4.02Å; V136-T318 HydrophobicContact CG2-CG2 4.1Å; V136-T318 WeakPolarHBondContact CG2-OG1 3.38Å; V296-T318 HydrophobicContact CG1-CG2 3.98Å; F314-T318 HydrophobicContact CD2-CG2 3.86Å; F314-T318 HydrophobicContact CE2-CG2 3.51Å; F314-T318 HydrophobicContact CZ-CG2 3.95Å; F314-T318 WeakPolarHBondContact O-CB 3.48Å; F314-T318 WeakPolarHBondContact O-CG2 3.43Å; F314-T318 PolarHBondContact O-N 2.88Å; F314-T318 PolarHBondContact O-OG1 3.22Å; F315-T318 PolarHBondContact O-OG1 3.32Å; T318-V321 PolarHBondContact O-N 3.42Å; T318-L322 WeakPolarHBondContact O-CB 3.48Å; T318-L322 VanDerWaalsContact O-CG 3.23Å; T318-L322 WeakPolarHBondContact O-CG 3.47Å; T318-L322 PolarHBondContact O-N 3.14Å
319	T	96.7	Very high	95.5	Very high	53 Å²	53	47.7 Å²	47.7	33%	0.325	25%	0.25	S	C	.	.	H	α-helix	trans	-65.8	-40.1	173.4	-59.4	0	0	0	0	110.9	F315 V321 L322 Q323	F315-T319 WeakPolarHBondContact O-CB 3.21Å; F315-T319 PolarHBondContact O-N 3.18Å; F315-T319 PolarHBondContact O-OG1 2.84Å; T319-V321 VanDerWaalsContact C-N 3.34Å; T319-V321 PolarHBondContact O-N 2.83Å; T319-L322 PolarHBondContact O-N 2.9Å; T319-Q323 HydrophobicContact CG2-CG 4.13Å; T319-Q323 WeakPolarHBondContact O-CB 3.47Å; T319-Q323 VanDerWaalsContact O-CG 3.27Å; T319-Q323 WeakPolarHBondContact O-CG 3.41Å; T319-Q323 PolarHBondContact O-N 2.84Å
320	D	97.2	Very high	95.7	Very high	52 Å²	52	45 Å²	45	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-57.6	-46.4	172.8	-177.5	75.4	0	0	0	111.3	T316 A317 L322 Q323 R324 H343	T316-D320 PolarHBondContact O-N 3.48Å; A317-D320 WeakPolarHBondContact O-CB 3.4Å; A317-D320 PolarHBondContact O-N 2.76Å; D320-L322 PolarHBondContact O-N 2.74Å; D320-Q323 PolarHBondContact O-N 3.3Å; D320-R324 WeakPolarHBondContact O-CG 3.45Å; D320-R324 PolarHBondContact O-N 2.87Å; D320-R324 IonicContact OD1-NE 3.43Å; D320-R324 IonicContact OD1-NH2 3.25Å; D320-R324 IonicContact OD2-CZ 2.69Å; D320-R324 IonicContact OD2-NE 2.72Å; D320-R324 PolarHBondContact OD2-NE 3.22Å; D320-R324 IonicContact OD2-NH2 2.76Å; D320-R324 PolarHBondContact OD2-NH2 3.26Å; D320-H343 IonicContact OD1-CD2 3.91Å; D320-H343 IonicContact OD1-CE1 2.81Å; D320-H343 PolarHBondContact OD1-CE1 3.24Å; D320-H343 IonicContact OD1-NE2 3.13Å; D320-H343 PolarHBondContact OD1-NE2 3.01Å
321	V	97.5	Very high	95.9	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-45.6	176.3	178.2	0	0	0	0	111.8	L129 L132 L289 L292 A317 T318 T319 Q323 R324	L129-V321 HydrophobicContact CD2-CG1 4.48Å; L132-V321 HydrophobicContact CD2-CG1 4.29Å; L289-V321 HydrophobicContact CD1-CG1 3.71Å; L292-V321 HydrophobicContact CB-CG1 4.49Å; L292-V321 HydrophobicContact CB-CG2 3.84Å; L292-V321 HydrophobicContact CD1-CG1 4.42Å; L292-V321 HydrophobicContact CD1-CG2 4.46Å; A317-V321 WeakPolarHBondContact O-CG2 3.3Å; A317-V321 PolarHBondContact O-N 2.97Å; A317-V321 VanDerWaalsContact O-N 3.11Å; T318-V321 PolarHBondContact O-N 3.42Å; T319-V321 VanDerWaalsContact C-N 3.34Å; T319-V321 PolarHBondContact O-N 2.83Å; V321-Q323 VanDerWaalsContact C-N 3.33Å; V321-Q323 PolarHBondContact O-N 2.95Å; V321-R324 PolarHBondContact O-N 3.26Å
322	L	97.1	Very high	96.1	Very high	54 Å²	54	43 Å²	43	28%	0.283	22%	0.223	S	C	.	.	H	α-helix	trans	-73.4	-21.8	-175.8	-69.4	169.5	0	0	0	113.8	L129 L132 Q133 V136 T318 T319 D320	L129-L322 HydrophobicContact CD2-CD2 4.43Å; L132-L322 HydrophobicContact CB-CD2 4.47Å; L132-L322 HydrophobicContact CD2-CD2 4.05Å; L132-L322 HydrophobicContact CD2-CG 4.27Å; L132-L322 HydrophobicContact CG-CD1 4.45Å; L132-L322 HydrophobicContact CG-CD2 4.19Å; L132-L322 HydrophobicContact CG-CG 4.43Å; Q133-L322 HydrophobicContact CB-CD1 4.11Å; Q133-L322 HydrophobicContact CB-CD2 3.88Å; Q133-L322 HydrophobicContact CG-CD1 4.35Å; V136-L322 HydrophobicContact CB-CD1 4.47Å; V136-L322 HydrophobicContact CG2-CD1 4.48Å; T318-L322 WeakPolarHBondContact O-CB 3.48Å; T318-L322 VanDerWaalsContact O-CG 3.23Å; T318-L322 WeakPolarHBondContact O-CG 3.47Å; T318-L322 PolarHBondContact O-N 3.14Å; T319-L322 PolarHBondContact O-N 2.9Å; D320-L322 PolarHBondContact O-N 2.74Å
323	Q	96.3	Very high	96.1	Very high	105 Å²	105	39.6 Å²	39.6	49%	0.491	20%	0.204	S	C	.	.	H	α-helix	trans	-85.9	-16.5	178	-75.6	178.6	-7.4	0	0	113.4	T319 D320 V321	T319-Q323 HydrophobicContact CG2-CG 4.13Å; T319-Q323 WeakPolarHBondContact O-CB 3.47Å; T319-Q323 VanDerWaalsContact O-CG 3.27Å; T319-Q323 WeakPolarHBondContact O-CG 3.41Å; T319-Q323 PolarHBondContact O-N 2.84Å; D320-Q323 PolarHBondContact O-N 3.3Å; V321-Q323 VanDerWaalsContact C-N 3.33Å; V321-Q323 PolarHBondContact O-N 2.95Å
324	R	96.1	Very high	96	Very high	47 Å²	47	35.8 Å²	35.8	18%	0.177	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-74.4	141	174.7	-70.2	167.9	-174.7	-108	3.2	110.8	D320 V321 Y341 V342	D320-R324 WeakPolarHBondContact O-CG 3.45Å; D320-R324 PolarHBondContact O-N 2.87Å; D320-R324 IonicContact OD1-NE 3.43Å; D320-R324 IonicContact OD1-NH2 3.25Å; D320-R324 IonicContact OD2-CZ 2.69Å; D320-R324 IonicContact OD2-NE 2.72Å; D320-R324 PolarHBondContact OD2-NE 3.22Å; D320-R324 IonicContact OD2-NH2 2.76Å; D320-R324 PolarHBondContact OD2-NH2 3.26Å; V321-R324 PolarHBondContact O-N 3.26Å; R324-Y341 HydrophobicContact CB-CD1 4.03Å; R324-Y341 PolarHBondContact NH1-O 2.87Å; R324-V342 WeakPolarHBondContact CA-O 3.31Å
325	Q	92.8	Very high	95.9	Very high	105 Å²	105	36 Å²	36	49%	0.491	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.2	173.8	-67.2	-176.9	-33	0	0	110	V342	Q325-V342 PolarHBondContact N-O 3.27Å; Q325-V342 PolarHBondContact O-N 2.92Å; Q325-V342 VanDerWaalsContact O-N 3.12Å
326	P	95.4	Very high	95.8	Very high	44 Å²	44	38.1 Å²	38.1	29%	0.286	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.5	175.6	30.6	-32.6	0	0	0	110.6	Y328 I340 Y341	P326-Y328 HydrophobicContact CB-CE2 4.2Å; P326-Y328 HydrophobicContact CG-CE2 4.14Å; P326-I340 WeakPolarHBondContact CA-O 3.39Å; P326-Y341 HydrophobicContact CB-CE1 4.25Å; P326-Y341 HydrophobicContact CB-CE2 4.33Å
327	V	96.8	Very high	95.7	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.073	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.1	163.4	-178.1	0	0	0	0	107.8	I340 V342 F351 L386 T389 L395	V327-I340 HydrophobicContact CB-CB 4.41Å; V327-I340 PolarHBondContact N-O 3.43Å; V327-I340 PolarHBondContact O-N 3.39Å; V327-V342 HydrophobicContact CG2-CG2 3.82Å; V327-F351 HydrophobicContact CB-CE2 3.89Å; V327-F351 HydrophobicContact CG1-CE2 3.68Å; V327-F351 HydrophobicContact CG1-CZ 3.98Å; V327-F351 HydrophobicContact CG2-CE2 4.34Å; V327-L386 HydrophobicContact CG1-CD1 4.46Å; V327-L386 HydrophobicContact CG2-CD1 4.18Å; V327-T389 HydrophobicContact CG1-CG2 4.22Å; V327-L395 HydrophobicContact CG1-CD1 3.76Å; V327-L395 HydrophobicContact CG1-CG 4.45Å
328	Y	97.4	Very high	95.6	Very high	71 Å²	71	34.7 Å²	34.7	28%	0.278	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.1	-178.8	-62.6	-88.9	0	0	0	110	P326 T389 S390 P394 L395	P326-Y328 HydrophobicContact CB-CE2 4.2Å; P326-Y328 HydrophobicContact CG-CE2 4.14Å; Y328-T389 WeakPolarHBondContact CD2-O 3.41Å; Y328-T389 PolarHBondContact N-OG1 3.34Å; Y328-S390 WeakPolarHBondContact CB-O 3.48Å; Y328-P394 CarbonylContact O-C 3.57Å; Y328-P394 WeakPolarHBondContact O-CA 3.45Å; Y328-P394 WeakPolarHBondContact O-CB 3.42Å; Y328-L395 PolarHBondContact O-N 3.2Å
329	L	97.3	Very high	95.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.7	-175.6	-176.9	124.7	0	0	0	109.8	A337 H338 I340 F351 V355 T359 L368 L395 L397	L329-A337 CarbonylContact O-C 3.49Å; L329-A337 WeakPolarHBondContact O-CA 3.36Å; L329-H338 HydrophobicContact CB-CB 4.44Å; L329-H338 HydrophobicContact CD2-CB 4.28Å; L329-H338 PolarHBondContact N-O 3.11Å; L329-H338 PolarHBondContact O-N 3.22Å; L329-I340 HydrophobicContact CB-CG1 4.48Å; L329-F351 HydrophobicContact CD1-CZ 4.21Å; L329-V355 HydrophobicContact CD1-CG1 4.45Å; L329-V355 HydrophobicContact CD1-CG2 4.08Å; L329-V355 HydrophobicContact CD2-CG1 4.35Å; L329-T359 HydrophobicContact CD2-CG2 4.18Å; L329-L368 HydrophobicContact CD1-CD2 3.73Å; L329-L395 CarbonylContact C-O 3.47Å; L329-L395 WeakPolarHBondContact CA-O 3.18Å; L329-L395 HydrophobicContact CD1-CB 4.16Å; L329-L397 HydrophobicContact CD1-CB 4.11Å; L329-L397 HydrophobicContact CD2-CB 3.91Å; L329-L397 HydrophobicContact CD2-CD2 3.87Å; L329-L397 HydrophobicContact CG-CB 4.08Å
330	F	96.9	Very high	95.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.3	175	-170.5	-95.8	0	0	0	109.7	L332 A337 P394 L395 I396 L397 Y451 L454 L455	F330-L332 HydrophobicContact CD1-CD1 4.4Å; F330-L332 HydrophobicContact CE1-CD1 4.22Å; F330-L332 PolarHBondContact O-N 3.43Å; F330-A337 HydrophobicContact CD2-CB 3.93Å; F330-P394 HydrophobicContact CB-CB 4.19Å; F330-P394 HydrophobicContact CB-CG 3.75Å; F330-L395 PolarHBondContact N-O 2.8Å; F330-I396 HydrophobicContact CB-CD1 3.99Å; F330-I396 HydrophobicContact CD1-CD1 4.33Å; F330-I396 WeakPolarHBondContact O-CA 3.32Å; F330-L397 PolarHBondContact O-N 3.29Å; F330-Y451 AromaticContact CE2-CD1 3.82Å; F330-Y451 HydrophobicContact CE2-CD1 3.82Å; F330-Y451 AromaticContact CE2-CD2 3.95Å; F330-Y451 HydrophobicContact CE2-CD2 3.95Å; F330-Y451 HydrophobicContact CE2-CE1 4.06Å; F330-Y451 HydrophobicContact CE2-CE2 4.2Å; F330-Y451 AromaticContact CE2-CG 3.78Å; F330-Y451 HydrophobicContact CE2-CG 3.78Å; F330-Y451 HydrophobicContact CZ-CD2 4.46Å; F330-Y451 HydrophobicContact CZ-CG 4.32Å; F330-L454 HydrophobicContact CB-CD1 4.43Å; F330-L454 HydrophobicContact CD1-CB 4.12Å; F330-L454 HydrophobicContact CD2-CB 4.28Å; F330-L454 HydrophobicContact CD2-CD1 3.63Å; F330-L454 HydrophobicContact CE1-CB 4.07Å; F330-L454 HydrophobicContact CE2-CB 4.25Å; F330-L454 HydrophobicContact CE2-CD1 4.04Å; F330-L454 HydrophobicContact CG-CB 4.22Å; F330-L454 HydrophobicContact CG-CD1 4.02Å; F330-L454 HydrophobicContact CZ-CB 4.15Å; F330-L455 HydrophobicContact CE1-CD2 3.88Å; F330-L455 HydrophobicContact CE1-CG 4.01Å; F330-L455 HydrophobicContact CZ-CD2 4.11Å; F330-L455 HydrophobicContact CZ-CG 3.94Å
331	S	95.5	Very high	95.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	108.8	174.7	-178.7	0	0	0	0	109.2	Q334 A335 M336	S331-Q334 WeakPolarHBondContact OG-CB 3.16Å; S331-Q334 WeakPolarHBondContact OG-CG 3.15Å; S331-Q334 PolarHBondContact OG-OE1 3.16Å; S331-A335 WeakPolarHBondContact O-CA 3.47Å; S331-A335 PolarHBondContact O-N 2.64Å; S331-M336 PolarHBondContact N-O 3.39Å; S331-M336 PolarHBondContact O-N 3.23Å
332	L	94.7	Very high	95.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-44.2	-168	-169.8	67.6	0	0	0	112.4	F330 A335 I396 L397 L398 L455 Y459 Y462	F330-L332 HydrophobicContact CD1-CD1 4.4Å; F330-L332 HydrophobicContact CE1-CD1 4.22Å; F330-L332 PolarHBondContact O-N 3.43Å; L332-A335 PolarHBondContact O-N 3.44Å; L332-I396 HydrophobicContact CB-CG2 4Å; L332-I396 HydrophobicContact CD1-CG2 4.42Å; L332-I396 HydrophobicContact CD2-CG2 4.38Å; L332-I396 HydrophobicContact CG-CG2 4.5Å; L332-L397 PolarHBondContact N-O 3.36Å; L332-L398 HydrophobicContact CB-CD2 3.94Å; L332-L398 HydrophobicContact CD2-CD2 3.48Å; L332-L398 VanDerWaalsContact CD2-CD2 3.48Å; L332-L398 HydrophobicContact CG-CD2 4.31Å; L332-L455 HydrophobicContact CD1-CD2 4.23Å; L332-Y459 HydrophobicContact CD1-CD2 3.96Å; L332-Y459 HydrophobicContact CD1-CE2 3.91Å; L332-Y459 HydrophobicContact CD2-CD1 4.16Å; L332-Y459 HydrophobicContact CD2-CD2 4.21Å; L332-Y459 HydrophobicContact CD2-CE1 4.18Å; L332-Y459 HydrophobicContact CD2-CE2 4.18Å; L332-Y459 HydrophobicContact CD2-CG 4.17Å; L332-Y459 HydrophobicContact CG-CD2 4.1Å; L332-Y459 HydrophobicContact CG-CE1 4.46Å; L332-Y459 HydrophobicContact CG-CE2 3.74Å; L332-Y462 HydrophobicContact CD2-CD1 4.48Å
333	Q	92.4	Very high	95.4	Very high	28 Å²	28	28.2 Å²	28.2	13%	0.131	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-32.4	180	-74.2	150.4	-48.1	0	0	112.2	A335 S399 E403 S627	Q333-A335 VanDerWaalsContact C-N 3.32Å; Q333-S399 PolarHBondContact NE2-O 3.47Å; Q333-S399 PolarHBondContact OE1-O 2.88Å; Q333-E403 HydrophobicContact CB-CB 4.14Å; Q333-E403 HydrophobicContact CB-CG 4.05Å; Q333-S627 WeakPolarHBondContact CG-OG 3.49Å
334	Q	92.5	Very high	95.3	Very high	25 Å²	25	27.4 Å²	27.4	12%	0.117	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.7	176	-56.9	175	-20.1	0	0	112.7	S331 M336 T359 E403 A406	S331-Q334 WeakPolarHBondContact OG-CB 3.16Å; S331-Q334 WeakPolarHBondContact OG-CG 3.15Å; S331-Q334 PolarHBondContact OG-OE1 3.16Å; Q334-M336 VanDerWaalsContact C-N 3.26Å; Q334-M336 HydrophobicContact CB-CB 4.48Å; Q334-M336 PolarHBondContact O-N 2.8Å; Q334-T359 PolarHBondContact NE2-O 3.33Å; Q334-E403 HydrophobicContact CG-CB 4.47Å; Q334-E403 HydrophobicContact CG-CG 4.37Å; Q334-E403 PolarHBondContact NE2-OE2 3.41Å; Q334-A406 WeakPolarHBondContact O-CB 3.35Å
335	A	93.9	Very high	95.2	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.025	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	44.6	-178.4	0	0	0	0	0	113.6	S331 L332 Q333 A406 Y451 L455 Y616 L620	S331-A335 WeakPolarHBondContact O-CA 3.47Å; S331-A335 PolarHBondContact O-N 2.64Å; L332-A335 PolarHBondContact O-N 3.44Å; Q333-A335 VanDerWaalsContact C-N 3.32Å; A335-A406 HydrophobicContact CB-CB 4.37Å; A335-Y451 WeakPolarHBondContact O-CD2 3.46Å; A335-L455 HydrophobicContact CB-CD1 4.17Å; A335-L455 HydrophobicContact CB-CD2 3.83Å; A335-L455 HydrophobicContact CB-CG 4.47Å; A335-Y616 PolarHBondContact O-OH 3.39Å; A335-L620 HydrophobicContact CB-CD2 3.43Å; A335-L620 VanDerWaalsContact CB-CD2 3.43Å
336	M	93.1	Very high	95.4	Very high	64 Å²	64	26.9 Å²	26.9	32%	0.315	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.6	-171.5	-173.1	157.3	54.5	0	0	111.4	S331 Q334 H338	S331-M336 PolarHBondContact N-O 3.39Å; S331-M336 PolarHBondContact O-N 3.23Å; Q334-M336 VanDerWaalsContact C-N 3.26Å; Q334-M336 HydrophobicContact CB-CB 4.48Å; Q334-M336 PolarHBondContact O-N 2.8Å; M336-H338 PolarHBondContact O-CD2 3.45Å
337	A	94.4	Very high	95.5	Very high	42 Å²	42	26.8 Å²	26.8	35%	0.347	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	147.2	171.7	0	0	0	0	0	111.4	L329 F330 Y451	L329-A337 CarbonylContact O-C 3.49Å; L329-A337 WeakPolarHBondContact O-CA 3.36Å; F330-A337 HydrophobicContact CD2-CB 3.93Å; A337-Y451 HydrophobicContact CB-CE1 3.65Å; A337-Y451 WeakPolarHBondContact CB-OH 3.49Å; A337-Y451 PolarHBondContact N-OH 2.85Å; A337-Y451 VanDerWaalsContact N-OH 3.14Å
338	H	95.4	Very high	95.4	Very high	13 Å²	13	26.2 Å²	26.2	6%	0.06	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.2	-179.3	-60.8	-92.9	0	0	0	109.6	L329 M336 I340	L329-H338 HydrophobicContact CB-CB 4.44Å; L329-H338 HydrophobicContact CD2-CB 4.28Å; L329-H338 PolarHBondContact N-O 3.11Å; L329-H338 PolarHBondContact O-N 3.22Å; M336-H338 PolarHBondContact O-CD2 3.45Å; H338-I340 HydrophobicContact CB-CD1 4.06Å
339	S	96.6	Very high	95.4	Very high	15 Å²	15	25.2 Å²	25.2	11%	0.105	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	107.5	172.2	-58.5	0	0	0	0	107.6	Q358	S339-Q358 PolarHBondContact O-NE2 3.04Å
340	I	97.2	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.3	-176.4	-50.6	-54.9	0	0	0	108	P326 V327 L329 H338 V342 F351 E354 V355 Q358	P326-I340 WeakPolarHBondContact CA-O 3.39Å; V327-I340 HydrophobicContact CB-CB 4.41Å; V327-I340 PolarHBondContact N-O 3.43Å; V327-I340 PolarHBondContact O-N 3.39Å; L329-I340 HydrophobicContact CB-CG1 4.48Å; H338-I340 HydrophobicContact CB-CD1 4.06Å; I340-V342 HydrophobicContact CG2-CG1 3.89Å; I340-F351 HydrophobicContact CB-CD2 4.37Å; I340-F351 HydrophobicContact CB-CE2 3.98Å; I340-F351 HydrophobicContact CG1-CE2 4.13Å; I340-F351 HydrophobicContact CG2-CD2 3.79Å; I340-F351 HydrophobicContact CG2-CE2 3.89Å; I340-E354 HydrophobicContact CG2-CB 3.7Å; I340-V355 HydrophobicContact CD1-CG2 4.35Å; I340-V355 HydrophobicContact CG1-CG2 4.07Å; I340-Q358 HydrophobicContact CD1-CB 4.22Å; I340-Q358 VanDerWaalsContact CD1-CD 3.45Å; I340-Q358 HydrophobicContact CD1-CG 4.12Å
341	Y	96.5	Very high	95.3	Very high	11 Å²	11	27.3 Å²	27.3	4%	0.043	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	105.4	-179.2	-83.8	-95.5	0	0	0	110.6	E125 L129 L289 L292 R324 P326	E125-Y341 WeakPolarHBondContact OE1-CE2 3.32Å; E125-Y341 PolarHBondContact OE1-OH 3.49Å; L129-Y341 HydrophobicContact CD1-CE1 4.35Å; L289-Y341 HydrophobicContact CB-CD2 4.48Å; L289-Y341 HydrophobicContact CB-CE2 3.82Å; L292-Y341 HydrophobicContact CD1-CD1 4.46Å; L292-Y341 HydrophobicContact CD1-CG 4.05Å; R324-Y341 HydrophobicContact CB-CD1 4.03Å; R324-Y341 PolarHBondContact NH1-O 2.87Å; P326-Y341 HydrophobicContact CB-CE1 4.25Å; P326-Y341 HydrophobicContact CB-CE2 4.33Å
342	V	96.1	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.3	-174.7	-78.1	0	0	0	0	111	R324 Q325 V327 I340 F351 E354 V383	R324-V342 WeakPolarHBondContact CA-O 3.31Å; Q325-V342 PolarHBondContact N-O 3.27Å; Q325-V342 PolarHBondContact O-N 2.92Å; Q325-V342 VanDerWaalsContact O-N 3.12Å; V327-V342 HydrophobicContact CG2-CG2 3.82Å; I340-V342 HydrophobicContact CG2-CG1 3.89Å; V342-F351 HydrophobicContact CG1-CD2 4.5Å; V342-F351 HydrophobicContact CG2-CD2 4.35Å; V342-E354 HydrophobicContact CG1-CG 4.28Å; V342-V383 HydrophobicContact CB-CG1 4.39Å; V342-V383 HydrophobicContact CG2-CG1 3.63Å; V342-V383 HydrophobicContact CG2-CG2 4.41Å
343	H	96.6	Very high	95.4	Very high	5 Å²	5	34 Å²	34	2%	0.023	18%	0.176	C	C	.	.			trans	-75.9	144.3	174.4	-68.7	-82.1	0	0	0	110.7	D320 Y345 N346	D320-H343 IonicContact OD1-CD2 3.91Å; D320-H343 IonicContact OD1-CE1 2.81Å; D320-H343 PolarHBondContact OD1-CE1 3.24Å; D320-H343 IonicContact OD1-NE2 3.13Å; D320-H343 PolarHBondContact OD1-NE2 3.01Å; H343-Y345 HydrophobicContact CB-CD1 3.83Å; H343-Y345 HydrophobicContact CB-CD2 4.33Å; H343-Y345 HydrophobicContact CB-CE1 3.45Å; H343-Y345 VanDerWaalsContact CB-CE1 3.45Å; H343-Y345 HydrophobicContact CB-CE2 4Å; H343-Y345 HydrophobicContact CB-CG 4.25Å; H343-Y345 AromaticContact CD2-CZ 3.98Å; H343-Y345 PolarHBondContact CD2-OH 3.48Å; H343-Y345 AromaticContact CG-CE1 3.63Å; H343-Y345 AromaticContact CG-CZ 3.52Å; H343-Y345 AromaticContact ND1-CE1 3.61Å; H343-Y345 AromaticContact ND1-CZ 3.81Å; H343-Y345 PolarHBondContact ND1-OH 3.1Å; H343-Y345 PolarHBondContact O-N 3.29Å; H343-Y345 VanDerWaalsContact O-N 3.11Å; H343-N346 VanDerWaalsContact CB-OD1 3.31Å; H343-N346 WeakPolarHBondContact CB-OD1 3.47Å; H343-N346 PolarHBondContact N-OD1 3.1Å; H343-N346 WeakPolarHBondContact O-CB 3.49Å; H343-N346 PolarHBondContact O-N 3.14Å
344	H	93.9	Very high	95.6	Very high	89 Å²	89	35.7 Å²	35.7	41%	0.412	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.2	178.7	63.8	81.5	0	0	0	113.2	V384	H344-V384 HydrophobicContact CB-CB 4.22Å; H344-V384 WeakPolarHBondContact O-CB 3.29Å; H344-V384 PolarHBondContact O-N 2.94Å
345	Y	94	Very high	95.8	Very high	111 Å²	111	34.5 Å²	34.5	44%	0.435	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.7	178.7	62.1	-98.8	0	0	0	114	H343 K382	H343-Y345 HydrophobicContact CB-CD1 3.83Å; H343-Y345 HydrophobicContact CB-CD2 4.33Å; H343-Y345 HydrophobicContact CB-CE1 3.45Å; H343-Y345 VanDerWaalsContact CB-CE1 3.45Å; H343-Y345 HydrophobicContact CB-CE2 4Å; H343-Y345 HydrophobicContact CB-CG 4.25Å; H343-Y345 AromaticContact CD2-CZ 3.98Å; H343-Y345 PolarHBondContact CD2-OH 3.48Å; H343-Y345 AromaticContact CG-CE1 3.63Å; H343-Y345 AromaticContact CG-CZ 3.52Å; H343-Y345 AromaticContact ND1-CE1 3.61Å; H343-Y345 AromaticContact ND1-CZ 3.81Å; H343-Y345 PolarHBondContact ND1-OH 3.1Å; H343-Y345 PolarHBondContact O-N 3.29Å; H343-Y345 VanDerWaalsContact O-N 3.11Å; Y345-K382 WeakPolarHBondContact O-CD 3.45Å; Y345-K382 WeakPolarHBondContact O-CE 3.31Å; Y345-K382 PolarHBondContact O-NZ 3.44Å
346	N	96.4	Very high	95.8	Very high	30 Å²	30	35.6 Å²	35.6	16%	0.16	19%	0.187	C	C	.	.	S	Bend	trans	-66	157.5	172.6	-67.7	148.1	0	0	0	110.4	H343 V350 K382 V383	H343-N346 VanDerWaalsContact CB-OD1 3.31Å; H343-N346 WeakPolarHBondContact CB-OD1 3.47Å; H343-N346 PolarHBondContact N-OD1 3.1Å; H343-N346 WeakPolarHBondContact O-CB 3.49Å; H343-N346 PolarHBondContact O-N 3.14Å; N346-V350 HydrophobicContact CB-CB 4.2Å; N346-V350 HydrophobicContact CB-CG1 4.28Å; N346-K382 WeakPolarHBondContact O-CA 3.33Å; N346-V383 HydrophobicContact CB-CG2 4.15Å; N346-V383 WeakPolarHBondContact O-CG2 3.32Å; N346-V383 PolarHBondContact O-N 3.13Å
347	T	97	Very high	95.9	Very high	41 Å²	41	36.2 Å²	36.2	25%	0.252	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-84	159.4	173.2	55.8	0	0	0	0	110.6	S349 V350 F351 G379 M381 K382	T347-S349 PolarHBondContact O-N 2.96Å; T347-V350 PolarHBondContact O-N 3.26Å; T347-V350 VanDerWaalsContact O-N 3.11Å; T347-F351 PolarHBondContact O-N 3.4Å; T347-G379 WeakPolarHBondContact CB-O 3.25Å; T347-M381 CarbonylContact C-O 3.43Å; T347-M381 WeakPolarHBondContact CA-O 3.21Å; T347-K382 HydrophobicContact CG2-CD 4.37Å
348	V	96.1	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-30.8	173.8	165.8	0	0	0	0	111.5	V350 F351 F352 L377 M381 L386	V348-V350 VanDerWaalsContact C-N 3.32Å; V348-V350 PolarHBondContact O-N 2.82Å; V348-F351 WeakPolarHBondContact O-CA 3.36Å; V348-F351 WeakPolarHBondContact O-CB 3.45Å; V348-F351 PolarHBondContact O-N 3.11Å; V348-F351 VanDerWaalsContact O-N 3.09Å; V348-F352 HydrophobicContact CG1-CD2 3.59Å; V348-F352 HydrophobicContact CG1-CE2 3.29Å; V348-F352 HydrophobicContact CG1-CZ 4.05Å; V348-F352 WeakPolarHBondContact O-CD2 3.17Å; V348-F352 PolarHBondContact O-N 3.33Å; V348-L377 HydrophobicContact CG1-CB 3.63Å; V348-L377 HydrophobicContact CG1-CD1 3.91Å; V348-L377 HydrophobicContact CG1-CG 4.43Å; V348-L377 HydrophobicContact CG2-CB 4.37Å; V348-L377 HydrophobicContact CG2-CD1 4.43Å; V348-M381 HydrophobicContact CG2-CB 3.78Å; V348-M381 PolarHBondContact N-O 3.35Å; V348-L386 HydrophobicContact CG2-CD2 4.28Å
349	S	96.1	Very high	95.7	Very high	51 Å²	51	36.3 Å²	36.3	36%	0.357	20%	0.197	S	C	.	.	H	α-helix	trans	-56.1	-44.3	173	-61.6	0	0	0	0	112.9	T347 F351 F352 E353 G379	T347-S349 PolarHBondContact O-N 2.96Å; S349-F351 VanDerWaalsContact C-N 3.31Å; S349-F351 PolarHBondContact O-N 3.08Å; S349-F352 PolarHBondContact O-N 3.47Å; S349-E353 WeakPolarHBondContact O-CG 3.23Å; S349-E353 PolarHBondContact O-N 3.18Å; S349-G379 PolarHBondContact N-O 3.38Å; S349-G379 WeakPolarHBondContact OG-CA 3.29Å; S349-G379 PolarHBondContact OG-O 3.26Å
350	V	95.9	Very high	95.6	Very high	44 Å²	44	38.8 Å²	38.8	27%	0.267	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-38	176.1	177.1	0	0	0	0	110.6	N346 T347 V348 F352 E353 E354	N346-V350 HydrophobicContact CB-CB 4.2Å; N346-V350 HydrophobicContact CB-CG1 4.28Å; T347-V350 PolarHBondContact O-N 3.26Å; T347-V350 VanDerWaalsContact O-N 3.11Å; V348-V350 VanDerWaalsContact C-N 3.32Å; V348-V350 PolarHBondContact O-N 2.82Å; V350-F352 PolarHBondContact O-N 3.44Å; V350-E353 PolarHBondContact O-N 2.7Å; V350-E354 PolarHBondContact O-N 3.5Å
351	F	96.8	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-44.2	174.6	168.7	-104.1	0	0	0	112	V327 L329 I340 V342 T347 V348 S349 E353 E354 V355 L368 V383 L386 L395	V327-F351 HydrophobicContact CB-CE2 3.89Å; V327-F351 HydrophobicContact CG1-CE2 3.68Å; V327-F351 HydrophobicContact CG1-CZ 3.98Å; V327-F351 HydrophobicContact CG2-CE2 4.34Å; L329-F351 HydrophobicContact CD1-CZ 4.21Å; I340-F351 HydrophobicContact CB-CD2 4.37Å; I340-F351 HydrophobicContact CB-CE2 3.98Å; I340-F351 HydrophobicContact CG1-CE2 4.13Å; I340-F351 HydrophobicContact CG2-CD2 3.79Å; I340-F351 HydrophobicContact CG2-CE2 3.89Å; V342-F351 HydrophobicContact CG1-CD2 4.5Å; V342-F351 HydrophobicContact CG2-CD2 4.35Å; T347-F351 PolarHBondContact O-N 3.4Å; V348-F351 WeakPolarHBondContact O-CA 3.36Å; V348-F351 WeakPolarHBondContact O-CB 3.45Å; V348-F351 PolarHBondContact O-N 3.11Å; V348-F351 VanDerWaalsContact O-N 3.09Å; S349-F351 VanDerWaalsContact C-N 3.31Å; S349-F351 PolarHBondContact O-N 3.08Å; F351-E353 PolarHBondContact O-N 3.4Å; F351-E354 PolarHBondContact O-N 3.48Å; F351-V355 HydrophobicContact CD1-CG2 4.43Å; F351-V355 HydrophobicContact CD2-CG2 4.33Å; F351-V355 HydrophobicContact CE1-CG2 3.99Å; F351-V355 HydrophobicContact CE2-CG2 3.86Å; F351-V355 HydrophobicContact CZ-CG2 3.67Å; F351-V355 WeakPolarHBondContact O-CG2 3.43Å; F351-V355 PolarHBondContact O-N 2.69Å; F351-L368 HydrophobicContact CE1-CD1 3.93Å; F351-V383 HydrophobicContact CB-CG2 4.11Å; F351-L386 HydrophobicContact CD1-CD1 4.39Å; F351-L386 HydrophobicContact CD2-CD1 4.4Å; F351-L386 HydrophobicContact CG-CD1 4.33Å; F351-L395 HydrophobicContact CE1-CD1 4.31Å; F351-L395 HydrophobicContact CZ-CD1 3.85Å
352	F	97	Very high	95.3	Very high	30 Å²	30	39.5 Å²	39.5	13%	0.132	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-34.3	176.6	-73.9	-51.1	0	0	0	113.4	V348 S349 V350 V355 A356 I363 Q366 L368 L377	V348-F352 HydrophobicContact CG1-CD2 3.59Å; V348-F352 HydrophobicContact CG1-CE2 3.29Å; V348-F352 HydrophobicContact CG1-CZ 4.05Å; V348-F352 WeakPolarHBondContact O-CD2 3.17Å; V348-F352 PolarHBondContact O-N 3.33Å; S349-F352 PolarHBondContact O-N 3.47Å; V350-F352 PolarHBondContact O-N 3.44Å; F352-V355 PolarHBondContact O-N 2.9Å; F352-A356 WeakPolarHBondContact O-CB 3.12Å; F352-A356 PolarHBondContact O-N 3.46Å; F352-I363 HydrophobicContact CB-CG1 4.37Å; F352-I363 HydrophobicContact CB-CG2 4.17Å; F352-Q366 HydrophobicContact CD1-CB 4.49Å; F352-Q366 HydrophobicContact CE1-CB 4.5Å; F352-Q366 PolarHBondContact O-NE2 3.49Å; F352-L368 HydrophobicContact CD1-CD1 4.5Å; F352-L368 HydrophobicContact CE1-CD1 3.54Å; F352-L368 HydrophobicContact CE1-CG 4.17Å; F352-L368 HydrophobicContact CZ-CD1 4.07Å; F352-L377 HydrophobicContact CE2-CB 4.38Å; F352-L377 HydrophobicContact CZ-CB 4.27Å; F352-L377 HydrophobicContact CZ-CD1 4.22Å
353	E	96.3	Very high	95.2	Very high	111 Å²	111	43.4 Å²	43.4	52%	0.519	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-43.4	171.4	-73.2	170.3	-170.7	0	0	111.3	S349 V350 F351 A356 A357 I363	S349-E353 WeakPolarHBondContact O-CG 3.23Å; S349-E353 PolarHBondContact O-N 3.18Å; V350-E353 PolarHBondContact O-N 2.7Å; F351-E353 PolarHBondContact O-N 3.4Å; E353-A356 WeakPolarHBondContact O-CB 2.99Å; E353-A356 PolarHBondContact O-N 2.82Å; E353-A357 PolarHBondContact O-N 3Å; E353-I363 HydrophobicContact CG-CD1 3.89Å
354	E	95.4	Very high	95.1	Very high	65 Å²	65	49 Å²	49	30%	0.304	29%	0.293	S	S	.	.	H	α-helix	trans	-71.3	-33.9	178	-68.6	-66.1	-163.7	0	0	113.3	I340 V342 V350 F351 A356 A357 Q358	I340-E354 HydrophobicContact CG2-CB 3.7Å; V342-E354 HydrophobicContact CG1-CG 4.28Å; V350-E354 PolarHBondContact O-N 3.5Å; F351-E354 PolarHBondContact O-N 3.48Å; E354-A356 VanDerWaalsContact C-N 3.32Å; E354-A357 PolarHBondContact O-N 3.39Å; E354-Q358 PolarHBondContact O-N 2.69Å; E354-Q358 VanDerWaalsContact O-N 3.13Å
355	V	96.4	Very high	95.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-44.5	169	172.9	0	0	0	0	109.9	L329 I340 F351 F352 A357 Q358 T359 Q366 L397	L329-V355 HydrophobicContact CD1-CG1 4.45Å; L329-V355 HydrophobicContact CD1-CG2 4.08Å; L329-V355 HydrophobicContact CD2-CG1 4.35Å; I340-V355 HydrophobicContact CD1-CG2 4.35Å; I340-V355 HydrophobicContact CG1-CG2 4.07Å; F351-V355 HydrophobicContact CD1-CG2 4.43Å; F351-V355 HydrophobicContact CD2-CG2 4.33Å; F351-V355 HydrophobicContact CE1-CG2 3.99Å; F351-V355 HydrophobicContact CE2-CG2 3.86Å; F351-V355 HydrophobicContact CZ-CG2 3.67Å; F351-V355 WeakPolarHBondContact O-CG2 3.43Å; F351-V355 PolarHBondContact O-N 2.69Å; F352-V355 PolarHBondContact O-N 2.9Å; V355-A357 PolarHBondContact O-N 2.9Å; V355-Q358 PolarHBondContact O-N 2.86Å; V355-T359 HydrophobicContact CG1-CG2 4.1Å; V355-T359 WeakPolarHBondContact O-CB 3.48Å; V355-T359 WeakPolarHBondContact O-CG2 3.16Å; V355-T359 PolarHBondContact O-N 3.48Å; V355-T359 PolarHBondContact O-OG1 3.25Å; V355-Q366 HydrophobicContact CG1-CG 4.5Å; V355-L397 HydrophobicContact CG1-CD2 3.68Å
356	A	95.6	Very high	95.2	Very high	25 Å²	25	43 Å²	43	21%	0.207	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-42.4	177.6	0	0	0	0	0	111.7	F352 E353 E354 Q358 G360 I361 I363	F352-A356 WeakPolarHBondContact O-CB 3.12Å; F352-A356 PolarHBondContact O-N 3.46Å; E353-A356 WeakPolarHBondContact O-CB 2.99Å; E353-A356 PolarHBondContact O-N 2.82Å; E354-A356 VanDerWaalsContact C-N 3.32Å; A356-Q358 VanDerWaalsContact C-N 3.3Å; A356-Q358 PolarHBondContact O-N 2.99Å; A356-G360 VanDerWaalsContact O-CA 3.28Å; A356-G360 WeakPolarHBondContact O-CA 3.49Å; A356-G360 PolarHBondContact O-N 3.45Å; A356-I361 WeakPolarHBondContact CA-O 3.28Å; A356-I361 VanDerWaalsContact CB-O 3.31Å; A356-I361 WeakPolarHBondContact CB-O 3.16Å; A356-I363 HydrophobicContact CB-CG1 4.47Å
357	A	94.4	Very high	95.1	Very high	78 Å²	78	43.7 Å²	43.7	65%	0.645	27%	0.271	S	S	*	.	H	α-helix	trans	-62	-36.1	179	0	0	0	0	0	112.7	E353 E354 V355	E353-A357 PolarHBondContact O-N 3Å; E354-A357 PolarHBondContact O-N 3.39Å; V355-A357 PolarHBondContact O-N 2.9Å
358	Q	93.3	Very high	95.1	Very high	45 Å²	45	42.2 Å²	42.2	21%	0.21	26%	0.261	C	S	.	.	H	α-helix	trans	-89	-31.5	-179.4	-66.9	-165	36.1	0	0	114.6	S339 I340 E354 V355 A356	S339-Q358 PolarHBondContact O-NE2 3.04Å; I340-Q358 HydrophobicContact CD1-CB 4.22Å; I340-Q358 VanDerWaalsContact CD1-CD 3.45Å; I340-Q358 HydrophobicContact CD1-CG 4.12Å; E354-Q358 PolarHBondContact O-N 2.69Å; E354-Q358 VanDerWaalsContact O-N 3.13Å; V355-Q358 PolarHBondContact O-N 2.86Å; A356-Q358 VanDerWaalsContact C-N 3.3Å; A356-Q358 PolarHBondContact O-N 2.99Å
359	T	93.1	Very high	95.1	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-100.6	-21.3	-174.6	64.4	0	0	0	0	113.2	L329 Q334 V355 I361 L397	L329-T359 HydrophobicContact CD2-CG2 4.18Å; Q334-T359 PolarHBondContact NE2-O 3.33Å; V355-T359 HydrophobicContact CG1-CG2 4.1Å; V355-T359 WeakPolarHBondContact O-CB 3.48Å; V355-T359 WeakPolarHBondContact O-CG2 3.16Å; V355-T359 PolarHBondContact O-N 3.48Å; V355-T359 PolarHBondContact O-OG1 3.25Å; T359-I361 PolarHBondContact O-N 3.11Å; T359-I361 PolarHBondContact OG1-N 3.33Å; T359-L397 HydrophobicContact CG2-CD2 3.89Å
360	G	93.3	Very high	95	Very high	66 Å²	66	42.1 Å²	42.1	68%	0.68	25%	0.253	S	S	*	.			trans	74.6	-0.6	-169.8	0	0	0	0	0	114.5	A356	A356-G360 VanDerWaalsContact O-CA 3.28Å; A356-G360 WeakPolarHBondContact O-CA 3.49Å; A356-G360 PolarHBondContact O-N 3.45Å
361	I	94	Very high	94.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	26%	0.263	C	S	.	.			trans	-82.1	122.5	-179.8	-60.8	166.5	0	0	0	108.7	A356 T359 Q365 Q366 L397	A356-I361 WeakPolarHBondContact CA-O 3.28Å; A356-I361 VanDerWaalsContact CB-O 3.31Å; A356-I361 WeakPolarHBondContact CB-O 3.16Å; T359-I361 PolarHBondContact O-N 3.11Å; T359-I361 PolarHBondContact OG1-N 3.33Å; I361-Q365 HydrophobicContact CG2-CB 3.84Å; I361-Q366 HydrophobicContact CB-CG 4.31Å; I361-Q366 HydrophobicContact CG2-CG 3.72Å; I361-Q366 PolarHBondContact O-NE2 3.13Å; I361-L397 HydrophobicContact CD1-CD2 3.66Å; I361-L397 HydrophobicContact CD1-CG 4.25Å
362	G	94.3	Very high	94.3	Very high	26 Å²	26	45.7 Å²	45.7	27%	0.268	28%	0.277	S	S	.	.			trans	-65.3	145.5	-178.5	0	0	0	0	0	111.9	P364 Q365 Q366	G362-P364 VanDerWaalsContact C-CD 3.41Å; G362-P364 VanDerWaalsContact O-N 3.16Å; G362-Q365 WeakPolarHBondContact O-CA 3.49Å; G362-Q365 WeakPolarHBondContact O-CB 3.41Å; G362-Q365 PolarHBondContact O-N 3.37Å; G362-Q366 WeakPolarHBondContact O-CG 3.5Å; G362-Q366 PolarHBondContact O-N 3.18Å
363	I	94.4	Very high	94.1	Very high	82 Å²	82	51 Å²	51	42%	0.421	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-44.6	-48.7	-178.2	-58.9	173.2	0	0	0	114.1	F352 E353 A356 Q365 Q366	F352-I363 HydrophobicContact CB-CG1 4.37Å; F352-I363 HydrophobicContact CB-CG2 4.17Å; E353-I363 HydrophobicContact CG-CD1 3.89Å; A356-I363 HydrophobicContact CB-CG1 4.47Å; I363-Q365 PolarHBondContact O-N 2.84Å; I363-Q365 VanDerWaalsContact O-N 3.16Å; I363-Q366 PolarHBondContact O-N 3.09Å
364	P	93.4	Very high	93.9	Very high	123 Å²	123	49.6 Å²	49.6	80%	0.799	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-69.4	-13.8	-178.3	28.7	-36.4	0	0	0	114.1	G362	G362-P364 VanDerWaalsContact C-CD 3.41Å; G362-P364 VanDerWaalsContact O-N 3.16Å
365	Q	93.9	Very high	93.8	Very high	57 Å²	57	48.4 Å²	48.4	27%	0.266	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-93.1	-10.5	-179.5	-59.9	164.2	-30.3	0	0	112.3	I361 G362 I363 Q367 S399 S400 T401	I361-Q365 HydrophobicContact CG2-CB 3.84Å; G362-Q365 WeakPolarHBondContact O-CA 3.49Å; G362-Q365 WeakPolarHBondContact O-CB 3.41Å; G362-Q365 PolarHBondContact O-N 3.37Å; I363-Q365 PolarHBondContact O-N 2.84Å; I363-Q365 VanDerWaalsContact O-N 3.16Å; Q365-Q367 PolarHBondContact O-N 3.14Å; Q365-S399 WeakPolarHBondContact O-CA 3.36Å; Q365-S400 WeakPolarHBondContact CA-OG 3.41Å; Q365-S400 PolarHBondContact O-N 3.37Å; Q365-T401 HydrophobicContact CG-CG2 4.26Å; Q365-T401 PolarHBondContact NE2-OG1 3.25Å
366	Q	95.3	Very high	93.6	Very high	17 Å²	17	54.6 Å²	54.6	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.2	-175	-63.4	177.3	22.6	0	0	110.8	F352 V355 I361 G362 I363 L397	F352-Q366 HydrophobicContact CD1-CB 4.49Å; F352-Q366 HydrophobicContact CE1-CB 4.5Å; F352-Q366 PolarHBondContact O-NE2 3.49Å; V355-Q366 HydrophobicContact CG1-CG 4.5Å; I361-Q366 HydrophobicContact CB-CG 4.31Å; I361-Q366 HydrophobicContact CG2-CG 3.72Å; I361-Q366 PolarHBondContact O-NE2 3.13Å; G362-Q366 WeakPolarHBondContact O-CG 3.5Å; G362-Q366 PolarHBondContact O-N 3.18Å; I363-Q366 PolarHBondContact O-N 3.09Å; Q366-L397 HydrophobicContact CB-CD1 3.76Å; Q366-L397 HydrophobicContact CG-CD1 4.04Å
367	Q	94.8	Very high	93.4	Very high	44 Å²	44	54.5 Å²	54.5	21%	0.206	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.4	171.9	-66.9	179	-4.7	0	0	109.2	Q365 L398	Q365-Q367 PolarHBondContact O-N 3.14Å; Q367-L398 HydrophobicContact CB-CB 4.04Å; Q367-L398 PolarHBondContact N-O 3.33Å; Q367-L398 PolarHBondContact O-N 2.83Å
368	L	96.6	Very high	93.2	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.5	-177.6	-65.8	174.1	0	0	0	111.3	L329 F351 F352 L375 L377 I396 L397	L329-L368 HydrophobicContact CD1-CD2 3.73Å; F351-L368 HydrophobicContact CE1-CD1 3.93Å; F352-L368 HydrophobicContact CD1-CD1 4.5Å; F352-L368 HydrophobicContact CE1-CD1 3.54Å; F352-L368 HydrophobicContact CE1-CG 4.17Å; F352-L368 HydrophobicContact CZ-CD1 4.07Å; L368-L375 HydrophobicContact CB-CB 4.12Å; L368-L375 PolarHBondContact O-N 2.52Å; L368-L377 HydrophobicContact CD1-CD1 3.71Å; L368-I396 CarbonylContact C-O 3.43Å; L368-I396 WeakPolarHBondContact CA-O 3.29Å; L368-L397 HydrophobicContact CD2-CB 4.22Å; L368-L397 HydrophobicContact CD2-CD1 3.82Å
369	M	95.8	Very high	93	Very high	3 Å²	3	57 Å²	57	2%	0.015	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.1	168.2	-59.1	175.1	68.3	0	0	110.5	G372 H373 I396 L398	M369-G372 WeakPolarHBondContact CE-O 3.46Å; M369-H373 CarbonylContact C-O 3.5Å; M369-H373 WeakPolarHBondContact CA-O 3.41Å; M369-H373 WeakPolarHBondContact CB-O 3.46Å; M369-I396 HydrophobicContact CB-CB 4.24Å; M369-I396 PolarHBondContact N-O 2.95Å; M369-I396 PolarHBondContact O-N 3.36Å; M369-L398 HydrophobicContact CG-CD1 4.29Å; M369-L398 HydrophobicContact SD-CD1 3.59Å; M369-L398 VanDerWaalsContact SD-CD1 3.59Å; M369-L398 HydrophobicContact SD-CG 4.45Å
370	Y	95.6	Very high	93	Very high	46 Å²	46	59.5 Å²	59.5	18%	0.18	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.1	172.1	-176.8	-111.2	0	0	0	110.1	G372 H373 P387 C388 T389 L395	Y370-G372 PolarHBondContact O-N 3.27Å; Y370-G372 VanDerWaalsContact O-N 3.1Å; Y370-H373 PolarHBondContact N-O 2.88Å; Y370-H373 PolarHBondContact O-N 3Å; Y370-P387 HydrophobicContact CD1-CB 3.69Å; Y370-P387 HydrophobicContact CD1-CG 3.91Å; Y370-P387 HydrophobicContact CD2-CB 4.32Å; Y370-P387 HydrophobicContact CD2-CG 4.09Å; Y370-P387 HydrophobicContact CE1-CB 3.44Å; Y370-P387 VanDerWaalsContact CE1-CB 3.44Å; Y370-P387 HydrophobicContact CE1-CG 4.14Å; Y370-P387 HydrophobicContact CE2-CB 4.08Å; Y370-P387 HydrophobicContact CE2-CG 4.28Å; Y370-P387 HydrophobicContact CG-CB 4.11Å; Y370-P387 HydrophobicContact CG-CG 3.87Å; Y370-C388 PolarHBondContact OH-O 3.35Å; Y370-T389 HydrophobicContact CE2-CG2 4.48Å; Y370-L395 HydrophobicContact CD2-CD2 3.78Å; Y370-L395 HydrophobicContact CG-CD2 4.11Å
371	L	90.7	Very high	93	Very high	91 Å²	91	59.1 Å²	59.1	48%	0.476	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	35.3	-177.9	-59.7	176.7	0	0	0	114.1	H373	L371-H373 PolarHBondContact O-CD2 3.02Å
372	G	87.6	Confident	93.1	Very high	28 Å²	28	63.5 Å²	63.5	29%	0.289	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-1.2	177.2	0	0	0	0	0	115.6	M369 Y370	M369-G372 WeakPolarHBondContact CE-O 3.46Å; Y370-G372 PolarHBondContact O-N 3.27Å; Y370-G372 VanDerWaalsContact O-N 3.1Å
373	H	91.2	Very high	93.1	Very high	141 Å²	141	62.7 Å²	62.7	65%	0.653	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	150.5	-179.9	-59.3	-75.9	0	0	0	111.5	M369 Y370 L371 L375	M369-H373 CarbonylContact C-O 3.5Å; M369-H373 WeakPolarHBondContact CA-O 3.41Å; M369-H373 WeakPolarHBondContact CB-O 3.46Å; Y370-H373 PolarHBondContact N-O 2.88Å; Y370-H373 PolarHBondContact O-N 3Å; L371-H373 PolarHBondContact O-CD2 3.02Å; H373-L375 PolarHBondContact O-N 2.74Å
374	D	92.3	Very high	93	Very high	83 Å²	83	63 Å²	63	44%	0.444	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.3	172.1	-77.5	-21.2	0	0	0	110.8	K465	D374-K465 WeakPolarHBondContact OD1-CD 3.34Å; D374-K465 WeakPolarHBondContact OD1-CE 3.35Å; D374-K465 IonicContact OD1-NZ 3.45Å; D374-K465 PolarHBondContact OD1-NZ 3.16Å; D374-K465 WeakPolarHBondContact OD2-CE 3.46Å; D374-K465 IonicContact OD2-NZ 2.84Å; D374-K465 PolarHBondContact OD2-NZ 3.35Å
375	L	94.2	Very high	93	Very high	40 Å²	40	62.1 Å²	62.1	21%	0.209	35%	0.346	C	S	.	.			trans	-108.4	89	176.6	-175.9	65.6	0	0	0	108.7	L368 H373 L377 P387 L395	L368-L375 HydrophobicContact CB-CB 4.12Å; L368-L375 PolarHBondContact O-N 2.52Å; H373-L375 PolarHBondContact O-N 2.74Å; L375-L377 HydrophobicContact CD1-CD2 3.87Å; L375-L377 HydrophobicContact CD2-CD1 4.22Å; L375-L377 HydrophobicContact CD2-CD2 4.1Å; L375-L377 HydrophobicContact CD2-CG 4.29Å; L375-L377 HydrophobicContact CG-CD1 4.38Å; L375-L377 HydrophobicContact CG-CD2 3.71Å; L375-L377 HydrophobicContact CG-CG 3.92Å; L375-L377 PolarHBondContact O-N 3.17Å; L375-P387 HydrophobicContact CD2-CG 4.05Å; L375-L395 HydrophobicContact CD2-CD1 4.5Å; L375-L395 HydrophobicContact CD2-CD2 3.56Å
376	V	91.3	Very high	93	Very high	129 Å²	129	60.3 Å²	60.3	78%	0.782	34%	0.338	S	S	*	.			trans	-78.9	119.6	173.8	-176	0	0	0	0	108.5
377	L	92.1	Very high	92.9	Very high	23 Å²	23	61.1 Å²	61.1	12%	0.12	35%	0.345	C	S	.	.			trans	-118.6	130.3	-180	-55.9	173.7	0	0	0	110.3	V348 F352 L368 L375 M381 L386	V348-L377 HydrophobicContact CG1-CB 3.63Å; V348-L377 HydrophobicContact CG1-CD1 3.91Å; V348-L377 HydrophobicContact CG1-CG 4.43Å; V348-L377 HydrophobicContact CG2-CB 4.37Å; V348-L377 HydrophobicContact CG2-CD1 4.43Å; F352-L377 HydrophobicContact CE2-CB 4.38Å; F352-L377 HydrophobicContact CZ-CB 4.27Å; F352-L377 HydrophobicContact CZ-CD1 4.22Å; L368-L377 HydrophobicContact CD1-CD1 3.71Å; L375-L377 HydrophobicContact CD1-CD2 3.87Å; L375-L377 HydrophobicContact CD2-CD1 4.22Å; L375-L377 HydrophobicContact CD2-CD2 4.1Å; L375-L377 HydrophobicContact CD2-CG 4.29Å; L375-L377 HydrophobicContact CG-CD1 4.38Å; L375-L377 HydrophobicContact CG-CD2 3.71Å; L375-L377 HydrophobicContact CG-CG 3.92Å; L375-L377 PolarHBondContact O-N 3.17Å; L377-M381 HydrophobicContact CD2-CE 4.43Å; L377-L386 HydrophobicContact CD1-CD2 3.51Å; L377-L386 HydrophobicContact CD2-CD2 3.77Å; L377-L386 HydrophobicContact CG-CD2 4.3Å
378	E	90.9	Very high	92.9	Very high	145 Å²	145	64.5 Å²	64.5	68%	0.678	37%	0.372	S	S	*	.			trans	-82.6	136.6	172.6	-59.2	178.9	178.4	0	0	110.1	G380 M381	E378-G380 PolarHBondContact O-N 3.29Å; E378-G380 VanDerWaalsContact O-N 3.07Å; E378-M381 HydrophobicContact CB-CG 3.98Å; E378-M381 HydrophobicContact CB-SD 3.96Å; E378-M381 HydrophobicContact CG-SD 4.35Å; E378-M381 PolarHBondContact N-SD 3.05Å; E378-M381 VanDerWaalsContact N-SD 3.39Å; E378-M381 VanDerWaalsContact O-CB 3.3Å; E378-M381 WeakPolarHBondContact O-CB 3.28Å; E378-M381 PolarHBondContact O-N 3.14Å
379	G	88.3	Confident	92.9	Very high	30 Å²	30	65.4 Å²	65.4	31%	0.309	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30	-175.8	0	0	0	0	0	114.4	T347 S349 M381	T347-G379 WeakPolarHBondContact CB-O 3.25Å; S349-G379 PolarHBondContact N-O 3.38Å; S349-G379 WeakPolarHBondContact OG-CA 3.29Å; S349-G379 PolarHBondContact OG-O 3.26Å; G379-M381 VanDerWaalsContact C-N 3.34Å; G379-M381 PolarHBondContact O-N 2.87Å
380	G	92.6	Very high	92.8	Very high	66 Å²	66	67 Å²	67	68%	0.68	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-14	177.6	0	0	0	0	0	115.2	E378	E378-G380 PolarHBondContact O-N 3.29Å; E378-G380 VanDerWaalsContact O-N 3.07Å
381	M	94.8	Very high	92.6	Very high	58 Å²	58	68.7 Å²	68.7	29%	0.286	41%	0.408	S	S	.	.	S	Bend	trans	-64	150.4	178.6	-70.7	171.2	70.2	0	0	111.1	T347 V348 L377 E378 G379 N385	T347-M381 CarbonylContact C-O 3.43Å; T347-M381 WeakPolarHBondContact CA-O 3.21Å; V348-M381 HydrophobicContact CG2-CB 3.78Å; V348-M381 PolarHBondContact N-O 3.35Å; L377-M381 HydrophobicContact CD2-CE 4.43Å; E378-M381 HydrophobicContact CB-CG 3.98Å; E378-M381 HydrophobicContact CB-SD 3.96Å; E378-M381 HydrophobicContact CG-SD 4.35Å; E378-M381 PolarHBondContact N-SD 3.05Å; E378-M381 VanDerWaalsContact N-SD 3.39Å; E378-M381 VanDerWaalsContact O-CB 3.3Å; E378-M381 WeakPolarHBondContact O-CB 3.28Å; E378-M381 PolarHBondContact O-N 3.14Å; G379-M381 VanDerWaalsContact C-N 3.34Å; G379-M381 PolarHBondContact O-N 2.87Å; M381-N385 HydrophobicContact CE-CB 4.47Å
382	K	95.3	Very high	92.6	Very high	93 Å²	93	67.8 Å²	67.8	40%	0.404	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-86.3	144.7	174.8	-63.7	-58.6	-167.1	174.9	0	111.3	Y345 N346 T347 V384 N385	Y345-K382 WeakPolarHBondContact O-CD 3.45Å; Y345-K382 WeakPolarHBondContact O-CE 3.31Å; Y345-K382 PolarHBondContact O-NZ 3.44Å; N346-K382 WeakPolarHBondContact O-CA 3.33Å; T347-K382 HydrophobicContact CG2-CD 4.37Å; K382-V384 HydrophobicContact CB-CG1 3.89Å; K382-V384 PolarHBondContact O-N 3.43Å; K382-N385 WeakPolarHBondContact O-CB 3.27Å; K382-N385 PolarHBondContact O-N 3.29Å
383	V	93.4	Very high	92.9	Very high	8 Å²	8	71.4 Å²	71.4	5%	0.048	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-58.1	-31.9	178.9	166.6	0	0	0	0	112.4	V342 N346 F351 N385 L386	V342-V383 HydrophobicContact CB-CG1 4.39Å; V342-V383 HydrophobicContact CG2-CG1 3.63Å; V342-V383 HydrophobicContact CG2-CG2 4.41Å; N346-V383 HydrophobicContact CB-CG2 4.15Å; N346-V383 WeakPolarHBondContact O-CG2 3.32Å; N346-V383 PolarHBondContact O-N 3.13Å; F351-V383 HydrophobicContact CB-CG2 4.11Å; V383-N385 PolarHBondContact O-N 2.87Å; V383-L386 HydrophobicContact CB-CD1 4.46Å; V383-L386 HydrophobicContact CG1-CD1 4.02Å; V383-L386 HydrophobicContact CG2-CD1 4.49Å; V383-L386 VanDerWaalsContact O-CB 3.24Å; V383-L386 WeakPolarHBondContact O-CB 3.4Å; V383-L386 VanDerWaalsContact O-CG 3.29Å; V383-L386 WeakPolarHBondContact O-CG 3.49Å; V383-L386 PolarHBondContact O-N 3.11Å
384	V	93.1	Very high	93.2	Very high	89 Å²	89	65.2 Å²	65.2	54%	0.539	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-56.5	-22.2	174.4	69.2	0	0	0	0	113.8	H344 K382 L386	H344-V384 HydrophobicContact CB-CB 4.22Å; H344-V384 WeakPolarHBondContact O-CB 3.29Å; H344-V384 PolarHBondContact O-N 2.94Å; K382-V384 HydrophobicContact CB-CG1 3.89Å; K382-V384 PolarHBondContact O-N 3.43Å; V384-L386 VanDerWaalsContact C-N 3.34Å
385	N	93	Very high	93.5	Very high	105 Å²	105	61.3 Å²	61.3	56%	0.561	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-88.4	-0.1	178.1	-60	-27.4	0	0	0	113	M381 K382 V383	M381-N385 HydrophobicContact CE-CB 4.47Å; K382-N385 WeakPolarHBondContact O-CB 3.27Å; K382-N385 PolarHBondContact O-N 3.29Å; V383-N385 PolarHBondContact O-N 2.87Å
386	L	94	Very high	93.7	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.099	37%	0.365	C	S	.	.	S	Bend	trans	-68.2	151.9	172.7	-66.8	-179.1	0	0	0	110.6	V327 V348 F351 L377 V383 V384	V327-L386 HydrophobicContact CG1-CD1 4.46Å; V327-L386 HydrophobicContact CG2-CD1 4.18Å; V348-L386 HydrophobicContact CG2-CD2 4.28Å; F351-L386 HydrophobicContact CD1-CD1 4.39Å; F351-L386 HydrophobicContact CD2-CD1 4.4Å; F351-L386 HydrophobicContact CG-CD1 4.33Å; L377-L386 HydrophobicContact CD1-CD2 3.51Å; L377-L386 HydrophobicContact CD2-CD2 3.77Å; L377-L386 HydrophobicContact CG-CD2 4.3Å; V383-L386 HydrophobicContact CB-CD1 4.46Å; V383-L386 HydrophobicContact CG1-CD1 4.02Å; V383-L386 HydrophobicContact CG2-CD1 4.49Å; V383-L386 VanDerWaalsContact O-CB 3.24Å; V383-L386 WeakPolarHBondContact O-CB 3.4Å; V383-L386 VanDerWaalsContact O-CG 3.29Å; V383-L386 WeakPolarHBondContact O-CG 3.49Å; V383-L386 PolarHBondContact O-N 3.11Å; V384-L386 VanDerWaalsContact C-N 3.34Å
387	P	94.3	Very high	93.9	Very high	34 Å²	34	54.2 Å²	54.2	22%	0.221	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-61.4	152.2	174.1	27.3	-35.5	0	0	0	111.3	Y370 L375 T389 L395	Y370-P387 HydrophobicContact CD1-CB 3.69Å; Y370-P387 HydrophobicContact CD1-CG 3.91Å; Y370-P387 HydrophobicContact CD2-CB 4.32Å; Y370-P387 HydrophobicContact CD2-CG 4.09Å; Y370-P387 HydrophobicContact CE1-CB 3.44Å; Y370-P387 VanDerWaalsContact CE1-CB 3.44Å; Y370-P387 HydrophobicContact CE1-CG 4.14Å; Y370-P387 HydrophobicContact CE2-CB 4.08Å; Y370-P387 HydrophobicContact CE2-CG 4.28Å; Y370-P387 HydrophobicContact CG-CB 4.11Å; Y370-P387 HydrophobicContact CG-CG 3.87Å; L375-P387 HydrophobicContact CD2-CG 4.05Å; P387-T389 PolarHBondContact O-N 2.97Å; P387-L395 HydrophobicContact CG-CD2 3.75Å
388	C	93.6	Very high	94.1	Very high	115 Å²	115	53.1 Å²	53.1	78%	0.777	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-69.2	121.7	173.8	-69	0	0	0	0	110	Y370	Y370-C388 PolarHBondContact OH-O 3.35Å
389	T	96.2	Very high	94.2	Very high	27 Å²	27	46.3 Å²	46.3	17%	0.166	29%	0.29	C	S	.	.			trans	-111	154.9	-177.9	60.8	0	0	0	0	112	V327 Y328 Y370 P387 Q393 L395	V327-T389 HydrophobicContact CG1-CG2 4.22Å; Y328-T389 WeakPolarHBondContact CD2-O 3.41Å; Y328-T389 PolarHBondContact N-OG1 3.34Å; Y370-T389 HydrophobicContact CE2-CG2 4.48Å; P387-T389 PolarHBondContact O-N 2.97Å; T389-Q393 WeakPolarHBondContact CA-O 3.17Å; T389-L395 HydrophobicContact CG2-CD2 4.17Å; T389-L395 HydrophobicContact CG2-CG 3.78Å
390	S	94.8	Very high	94.2	Very high	37 Å²	37	47 Å²	47	26%	0.259	29%	0.29	S	S	.	.			trans	-141.9	174.4	171.6	74.1	0	0	0	0	110.4	Y328 S392 Q393 P394	Y328-S390 WeakPolarHBondContact CB-O 3.48Å; S390-S392 PolarHBondContact O-N 3.4Å; S390-S392 PolarHBondContact OG-N 3.41Å; S390-S392 PolarHBondContact OG-OG 3.08Å; S390-Q393 PolarHBondContact N-O 3.33Å; S390-Q393 VanDerWaalsContact N-O 3.12Å; S390-Q393 CarbonylContact O-C 3.56Å; S390-Q393 PolarHBondContact O-N 2.87Å; S390-Q393 PolarHBondContact OG-N 3.09Å; S390-P394 WeakPolarHBondContact O-CA 3.46Å; S390-P394 VanDerWaalsContact O-N 3.1Å
391	S	90.8	Very high	93.9	Very high	82 Å²	82	45.9 Å²	45.9	57%	0.573	27%	0.271	S	S	*	.	S	Bend	trans	-62.6	-25.3	175.6	58.8	0	0	0	0	113.9
392	S	91.1	Very high	93.4	Very high	72 Å²	72	48.2 Å²	48.2	50%	0.503	29%	0.29	S	S	.	.	S	Bend	trans	-94.9	-19.1	176.1	55.5	0	0	0	0	113.2	S390 P394	S390-S392 PolarHBondContact O-N 3.4Å; S390-S392 PolarHBondContact OG-N 3.41Å; S390-S392 PolarHBondContact OG-OG 3.08Å; S392-P394 VanDerWaalsContact C-CD 3.42Å
393	Q	94.4	Very high	92.7	Very high	104 Å²	104	46.6 Å²	46.6	49%	0.486	28%	0.284	S	S	.	.	S	Bend	trans	-130.2	66.3	176.2	-65	-179.5	-37.8	0	0	110.5	T389 S390	T389-Q393 WeakPolarHBondContact CA-O 3.17Å; S390-Q393 PolarHBondContact N-O 3.33Å; S390-Q393 VanDerWaalsContact N-O 3.12Å; S390-Q393 CarbonylContact O-C 3.56Å; S390-Q393 PolarHBondContact O-N 2.87Å; S390-Q393 PolarHBondContact OG-N 3.09Å
394	P	97.4	Very high	91.4	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.071	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-79	165.9	177.8	33.9	-35.5	0	0	0	111.6	Y328 F330 S390 S392 I396 L454	Y328-P394 CarbonylContact O-C 3.57Å; Y328-P394 WeakPolarHBondContact O-CA 3.45Å; Y328-P394 WeakPolarHBondContact O-CB 3.42Å; F330-P394 HydrophobicContact CB-CB 4.19Å; F330-P394 HydrophobicContact CB-CG 3.75Å; S390-P394 WeakPolarHBondContact O-CA 3.46Å; S390-P394 VanDerWaalsContact O-N 3.1Å; S392-P394 VanDerWaalsContact C-CD 3.42Å; P394-I396 HydrophobicContact CG-CD1 4.22Å; P394-L454 HydrophobicContact CG-CD1 4.03Å; P394-L454 HydrophobicContact CG-CD2 3.75Å
395	L	97.8	Very high	89.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.2	157.2	-63.8	178.7	0	0	0	108.9	V327 Y328 L329 F330 F351 Y370 L375 P387 T389	V327-L395 HydrophobicContact CG1-CD1 3.76Å; V327-L395 HydrophobicContact CG1-CG 4.45Å; Y328-L395 PolarHBondContact O-N 3.2Å; L329-L395 CarbonylContact C-O 3.47Å; L329-L395 WeakPolarHBondContact CA-O 3.18Å; L329-L395 HydrophobicContact CD1-CB 4.16Å; F330-L395 PolarHBondContact N-O 2.8Å; F351-L395 HydrophobicContact CE1-CD1 4.31Å; F351-L395 HydrophobicContact CZ-CD1 3.85Å; Y370-L395 HydrophobicContact CD2-CD2 3.78Å; Y370-L395 HydrophobicContact CG-CD2 4.11Å; L375-L395 HydrophobicContact CD2-CD1 4.5Å; L375-L395 HydrophobicContact CD2-CD2 3.56Å; P387-L395 HydrophobicContact CG-CD2 3.75Å; T389-L395 HydrophobicContact CG2-CD2 4.17Å; T389-L395 HydrophobicContact CG2-CG 3.78Å
396	I	97.7	Very high	88.2	Confident	20 Å²	20	50.1 Å²	50.1	10%	0.103	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.5	172.9	-55.6	-57.1	0	0	0	108.2	F330 L332 L368 M369 P394	F330-I396 HydrophobicContact CB-CD1 3.99Å; F330-I396 HydrophobicContact CD1-CD1 4.33Å; F330-I396 WeakPolarHBondContact O-CA 3.32Å; L332-I396 HydrophobicContact CB-CG2 4Å; L332-I396 HydrophobicContact CD1-CG2 4.42Å; L332-I396 HydrophobicContact CD2-CG2 4.38Å; L332-I396 HydrophobicContact CG-CG2 4.5Å; L368-I396 CarbonylContact C-O 3.43Å; L368-I396 WeakPolarHBondContact CA-O 3.29Å; M369-I396 HydrophobicContact CB-CB 4.24Å; M369-I396 PolarHBondContact N-O 2.95Å; M369-I396 PolarHBondContact O-N 3.36Å; P394-I396 HydrophobicContact CG-CD1 4.22Å
397	L	96.8	Very high	87.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.9	174.5	176.9	68.3	0	0	0	110.3	L329 F330 L332 V355 T359 I361 Q366 L368	L329-L397 HydrophobicContact CD1-CB 4.11Å; L329-L397 HydrophobicContact CD2-CB 3.91Å; L329-L397 HydrophobicContact CD2-CD2 3.87Å; L329-L397 HydrophobicContact CG-CB 4.08Å; F330-L397 PolarHBondContact O-N 3.29Å; L332-L397 PolarHBondContact N-O 3.36Å; V355-L397 HydrophobicContact CG1-CD2 3.68Å; T359-L397 HydrophobicContact CG2-CD2 3.89Å; I361-L397 HydrophobicContact CD1-CD2 3.66Å; I361-L397 HydrophobicContact CD1-CG 4.25Å; Q366-L397 HydrophobicContact CB-CD1 3.76Å; Q366-L397 HydrophobicContact CG-CD1 4.04Å; L368-L397 HydrophobicContact CD2-CB 4.22Å; L368-L397 HydrophobicContact CD2-CD1 3.82Å
398	L	94.9	Very high	86.9	Confident	1 Å²	1	55 Å²	55	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.6	169.4	-63.6	173.3	0	0	0	109	L332 Q367 M369 Y462	L332-L398 HydrophobicContact CB-CD2 3.94Å; L332-L398 HydrophobicContact CD2-CD2 3.48Å; L332-L398 VanDerWaalsContact CD2-CD2 3.48Å; L332-L398 HydrophobicContact CG-CD2 4.31Å; Q367-L398 HydrophobicContact CB-CB 4.04Å; Q367-L398 PolarHBondContact N-O 3.33Å; Q367-L398 PolarHBondContact O-N 2.83Å; M369-L398 HydrophobicContact CG-CD1 4.29Å; M369-L398 HydrophobicContact SD-CD1 3.59Å; M369-L398 VanDerWaalsContact SD-CD1 3.59Å; M369-L398 HydrophobicContact SD-CG 4.45Å; L398-Y462 HydrophobicContact CD1-CD1 4.48Å; L398-Y462 HydrophobicContact CD1-CD2 4.15Å; L398-Y462 HydrophobicContact CD1-CE2 4.4Å; L398-Y462 HydrophobicContact CD1-CG 4.23Å; L398-Y462 HydrophobicContact CD2-CD1 3.96Å; L398-Y462 HydrophobicContact CD2-CE1 4.23Å; L398-Y462 HydrophobicContact CD2-CG 4.39Å
399	S	93.1	Very high	86.5	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.4	169	-174.6	0	0	0	0	109.1	Q333 Q365 T401 E403	Q333-S399 PolarHBondContact NE2-O 3.47Å; Q333-S399 PolarHBondContact OE1-O 2.88Å; Q365-S399 WeakPolarHBondContact O-CA 3.36Å; S399-T401 PolarHBondContact O-N 3.31Å; S399-T401 PolarHBondContact OG-N 3.1Å; S399-T401 PolarHBondContact OG-O 3.4Å; S399-T401 PolarHBondContact OG-OG1 2.95Å; S399-E403 WeakPolarHBondContact CB-OE1 3.45Å; S399-E403 PolarHBondContact OG-OE1 3.09Å
400	S	88.3	Confident	86.3	Confident	44 Å²	44	51.6 Å²	51.6	31%	0.308	31%	0.312	S	S	.	.	S	Bend	trans	-73.2	-1.5	172.5	72.8	0	0	0	0	113.3	Q365	Q365-S400 WeakPolarHBondContact CA-OG 3.41Å; Q365-S400 PolarHBondContact O-N 3.37Å
401	T	86.6	Confident	86.1	Confident	43 Å²	43	56.4 Å²	56.4	26%	0.264	33%	0.325	S	S	.	.	S	Bend	trans	-120.4	154.9	177.1	47	0	0	0	0	111.2	Q365 S399 E403	Q365-T401 HydrophobicContact CG-CG2 4.26Å; Q365-T401 PolarHBondContact NE2-OG1 3.25Å; S399-T401 PolarHBondContact O-N 3.31Å; S399-T401 PolarHBondContact OG-N 3.1Å; S399-T401 PolarHBondContact OG-O 3.4Å; S399-T401 PolarHBondContact OG-OG1 2.95Å; T401-E403 PolarHBondContact O-N 3.07Å
402	P	84.1	Confident	86.2	Confident	107 Å²	107	55.2 Å²	55.2	70%	0.695	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-65.7	120.5	176.5	25.4	-32.3	0	0	0	110.6	L631	P402-L631 HydrophobicContact CB-CD2 4.21Å
403	E	81.9	Confident	86.3	Confident	60 Å²	60	52.1 Å²	52.1	28%	0.28	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-86	142	176.2	-65.7	-64	129.8	0	0	111.3	Q333 Q334 S399 T401	Q333-E403 HydrophobicContact CB-CB 4.14Å; Q333-E403 HydrophobicContact CB-CG 4.05Å; Q334-E403 HydrophobicContact CG-CB 4.47Å; Q334-E403 HydrophobicContact CG-CG 4.37Å; Q334-E403 PolarHBondContact NE2-OE2 3.41Å; S399-E403 WeakPolarHBondContact CB-OE1 3.45Å; S399-E403 PolarHBondContact OG-OE1 3.09Å; T401-E403 PolarHBondContact O-N 3.07Å
404	T	65.8	Low	86	Confident	133 Å²	133	52.7 Å²	52.7	82%	0.816	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-93.6	127.3	177.3	47	0	0	0	0	111.6
405	N	55.6	Low	85.7	Confident	122 Å²	122	54.2 Å²	54.2	65%	0.652	30%	0.3	S	S	*	.			trans	26	100.3	169.9	-69.9	-38.3	0	0	0	117.6	S407	N405-S407 PolarHBondContact O-N 3.01Å; N405-S407 VanDerWaalsContact O-N 3.1Å
406	A	62.1	Low	85.4	Confident	21 Å²	21	56.5 Å²	56.5	17%	0.174	32%	0.315	C	S	.	.			trans	-54	115.3	157	0	0	0	0	0	110.6	Q334 A335	Q334-A406 WeakPolarHBondContact O-CB 3.35Å; A335-A406 HydrophobicContact CB-CB 4.37Å
407	S	75.8	Confident	85.2	Confident	93 Å²	93	61.3 Å²	61.3	65%	0.65	35%	0.347	S	S	*	.			trans	-64	159	161.3	58.3	0	0	0	0	109	N405	N405-S407 PolarHBondContact O-N 3.01Å; N405-S407 VanDerWaalsContact O-N 3.1Å
408	L	85.8	Confident	85.1	Confident	63 Å²	63	64.5 Å²	64.5	33%	0.33	36%	0.361	S	S	.	.			trans	-63.6	138.9	175.3	-71.2	172.8	0	0	0	109.2	F410 Y616 K617 L620	L408-F410 HydrophobicContact CB-CD1 4.3Å; L408-F410 HydrophobicContact CB-CE1 4.08Å; L408-F410 HydrophobicContact CB-CZ 4.49Å; L408-F410 HydrophobicContact CD1-CE1 4.26Å; L408-F410 HydrophobicContact CD1-CZ 4Å; L408-F410 HydrophobicContact CD2-CE1 4.22Å; L408-F410 HydrophobicContact CG-CE1 4.43Å; L408-F410 PolarHBondContact O-N 3.23Å; L408-Y616 HydrophobicContact CD2-CD1 3.97Å; L408-Y616 HydrophobicContact CD2-CE1 4.04Å; L408-K617 HydrophobicContact CD2-CG 4.41Å; L408-L620 HydrophobicContact CD2-CD1 4.31Å
409	P	86.4	Confident	85	Confident	34 Å²	34	65.4 Å²	65.4	22%	0.221	37%	0.367	C	S	.	.	S	Bend	trans	-73.8	9.6	-174.9	32.2	-37.3	0	0	0	113.2	L448 Y451 Y616	P409-L448 HydrophobicContact CG-CD2 4.17Å; P409-Y451 HydrophobicContact CB-CD2 4.18Å; P409-Y451 HydrophobicContact CB-CE2 3.57Å; P409-Y451 HydrophobicContact CG-CD2 3.92Å; P409-Y451 HydrophobicContact CG-CE2 3.83Å; P409-Y616 HydrophobicContact CG-CE1 4.15Å
410	F	90.6	Very high	84.8	Confident	35 Å²	35	70.8 Å²	70.8	15%	0.154	41%	0.405	C	S	.	.	S	Bend	trans	-146.5	159.2	-176.4	70.3	-89.4	0	0	0	110.6	L408 I444 L448 F608 V613	L408-F410 HydrophobicContact CB-CD1 4.3Å; L408-F410 HydrophobicContact CB-CE1 4.08Å; L408-F410 HydrophobicContact CB-CZ 4.49Å; L408-F410 HydrophobicContact CD1-CE1 4.26Å; L408-F410 HydrophobicContact CD1-CZ 4Å; L408-F410 HydrophobicContact CD2-CE1 4.22Å; L408-F410 HydrophobicContact CG-CE1 4.43Å; L408-F410 PolarHBondContact O-N 3.23Å; F410-I444 HydrophobicContact CB-CD1 4.31Å; F410-I444 HydrophobicContact CB-CG1 4.28Å; F410-I444 HydrophobicContact CB-CG2 3.72Å; F410-I444 HydrophobicContact CD1-CG2 3.84Å; F410-I444 HydrophobicContact CD2-CD1 4.42Å; F410-I444 HydrophobicContact CD2-CG2 3.86Å; F410-I444 HydrophobicContact CE1-CG2 4.47Å; F410-I444 HydrophobicContact CG-CG2 3.5Å; F410-I444 VanDerWaalsContact CG-CG2 3.5Å; F410-L448 HydrophobicContact CD1-CD1 4.34Å; F410-L448 HydrophobicContact CD1-CD2 3.86Å; F410-L448 HydrophobicContact CD1-CG 4.36Å; F410-L448 HydrophobicContact CE1-CD1 3.89Å; F410-L448 HydrophobicContact CE1-CD2 3.79Å; F410-L448 HydrophobicContact CE1-CG 4.3Å; F410-L448 HydrophobicContact CZ-CD1 4.48Å; F410-F608 AromaticContact CD2-CZ 3.88Å; F410-F608 HydrophobicContact CD2-CZ 3.88Å; F410-F608 AromaticContact CE2-CE1 3.92Å; F410-F608 HydrophobicContact CE2-CE1 3.92Å; F410-F608 HydrophobicContact CE2-CE2 4.47Å; F410-F608 AromaticContact CE2-CZ 3.39Å; F410-F608 HydrophobicContact CE2-CZ 3.39Å; F410-F608 HydrophobicContact CZ-CE1 4.44Å; F410-F608 AromaticContact CZ-CZ 3.86Å; F410-F608 HydrophobicContact CZ-CZ 3.86Å; F410-V613 HydrophobicContact CE1-CG2 4.24Å; F410-V613 HydrophobicContact CE2-CG2 4.25Å; F410-V613 HydrophobicContact CZ-CB 4.47Å; F410-V613 HydrophobicContact CZ-CG1 4.13Å; F410-V613 HydrophobicContact CZ-CG2 3.51Å
411	R	91.4	Very high	85	Confident	139 Å²	139	76.9 Å²	76.9	53%	0.525	43%	0.426	S	S	.	.			trans	-111.2	136.2	164.3	177.3	170.1	169.7	172.1	-3.2	108.7	Y281 E414	Y281-R411 HydrophobicContact CD2-CB 3.68Å; Y281-R411 HydrophobicContact CD2-CG 4Å; Y281-R411 HydrophobicContact CE2-CB 3.86Å; Y281-R411 HydrophobicContact CE2-CG 3.73Å; Y281-R411 HydrophobicContact CG-CB 4.33Å; R411-E414 IonicContact CZ-OE1 3.92Å; R411-E414 IonicContact NE-OE1 2.9Å; R411-E414 IonicContact NH2-OE1 3.48Å; R411-E414 PolarHBondContact NH2-OE1 3.25Å
412	E	91.9	Very high	85.2	Confident	57 Å²	57	78.4 Å²	78.4	27%	0.266	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-62.5	132.7	-179.4	-171.7	176.3	178.7	0	0	110.6	E414 Y441 F608 R609	E412-E414 PolarHBondContact O-N 3.35Å; E412-Y441 HydrophobicContact CG-CE1 4.12Å; E412-Y441 PolarHBondContact OE1-OH 3.24Å; E412-Y441 VanDerWaalsContact OE1-OH 3.05Å; E412-F608 HydrophobicContact CB-CE1 4.5Å; E412-F608 HydrophobicContact CG-CE1 3.96Å; E412-R609 IonicContact OE1-CZ 3.17Å; E412-R609 VanDerWaalsContact OE1-CZ 3.23Å; E412-R609 IonicContact OE1-NE 3.94Å; E412-R609 PolarHBondContact OE1-NE 2.69Å; E412-R609 IonicContact OE1-NH2 2.82Å; E412-R609 PolarHBondContact OE1-NH2 2.73Å; E412-R609 IonicContact OE2-CZ 3.68Å; E412-R609 IonicContact OE2-NE 2.78Å; E412-R609 PolarHBondContact OE2-NE 3.36Å; E412-R609 IonicContact OE2-NH2 2.82Å; E412-R609 PolarHBondContact OE2-NH2 3.37Å
413	P	93.1	Very high	85.7	Confident	6 Å²	6	76.5 Å²	76.5	4%	0.039	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.3	176.5	-27.6	36.1	0	0	0	113.6	I437 Q440 Y441 I444	P413-I437 HydrophobicContact CB-CG2 3.91Å; P413-Q440 HydrophobicContact CG-CB 4.26Å; P413-Q440 HydrophobicContact CG-CG 3.97Å; P413-Y441 HydrophobicContact CB-CD2 4.35Å; P413-Y441 HydrophobicContact CB-CE2 3.94Å; P413-Y441 HydrophobicContact CG-CD1 4.18Å; P413-Y441 HydrophobicContact CG-CD2 4.13Å; P413-Y441 HydrophobicContact CG-CE1 4.1Å; P413-Y441 HydrophobicContact CG-CE2 4.05Å; P413-Y441 HydrophobicContact CG-CG 4.2Å; P413-I444 HydrophobicContact CG-CD1 3.9Å
414	E	89.8	Confident	86.3	Confident	117 Å²	117	74.6 Å²	74.6	55%	0.547	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-75.7	131.2	174.2	-70.4	172.6	-157.2	0	0	110.3	Y281 R411 E412 I437	Y281-E414 PolarHBondContact OH-OE1 3.41Å; R411-E414 IonicContact CZ-OE1 3.92Å; R411-E414 IonicContact NE-OE1 2.9Å; R411-E414 IonicContact NH2-OE1 3.48Å; R411-E414 PolarHBondContact NH2-OE1 3.25Å; E412-E414 PolarHBondContact O-N 3.35Å; E414-I437 VanDerWaalsContact O-CD1 3.32Å; E414-I437 WeakPolarHBondContact O-CD1 3.27Å
415	T	90.1	Very high	87.6	Confident	43 Å²	43	72 Å²	72	26%	0.264	39%	0.389	S	S	.	.			trans	-109	131.4	-179.4	-44.5	0	0	0	0	110.8	I434 K605	T415-I434 HydrophobicContact CG2-CD1 3.55Å; T415-K605 VanDerWaalsContact CB-NZ 3.34Å; T415-K605 WeakPolarHBondContact OG1-CE 3.43Å; T415-K605 PolarHBondContact OG1-NZ 2.93Å
416	P	92.7	Very high	89.4	Confident	48 Å²	48	69.4 Å²	69.4	31%	0.312	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-64.2	157.1	174.6	26.3	-33.5	0	0	0	111.9	F430 V433 I434	P416-F430 HydrophobicContact CB-CE2 4.39Å; P416-F430 HydrophobicContact CG-CD2 4.1Å; P416-F430 HydrophobicContact CG-CE2 3.86Å; P416-V433 HydrophobicContact CG-CG1 3.97Å; P416-I434 HydrophobicContact CG-CD1 4.39Å
417	P	93.4	Very high	91	Very high	120 Å²	120	68.5 Å²	68.5	78%	0.779	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-62.3	140.9	175.8	27.4	-34.2	0	0	0	110.8	F430	P417-F430 WeakPolarHBondContact O-CE2 3.36Å
418	F	93.3	Very high	92	Very high	67 Å²	67	65 Å²	65	29%	0.294	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-71.6	130.3	-179.1	-168.7	-90.1	0	0	0	110.9	S420 F430 K594 L598	F418-S420 PolarHBondContact O-N 3.22Å; F418-F430 HydrophobicContact CB-CZ 4.34Å; F418-F430 HydrophobicContact CD2-CD1 4.48Å; F418-F430 AromaticContact CD2-CE1 3.47Å; F418-F430 HydrophobicContact CD2-CE1 3.47Å; F418-F430 VanDerWaalsContact CD2-CE1 3.47Å; F418-F430 AromaticContact CD2-CZ 3.5Å; F418-F430 HydrophobicContact CD2-CZ 3.5Å; F418-F430 VanDerWaalsContact CD2-CZ 3.5Å; F418-F430 HydrophobicContact CE2-CD1 4.48Å; F418-F430 AromaticContact CE2-CE1 3.66Å; F418-F430 HydrophobicContact CE2-CE1 3.66Å; F418-F430 HydrophobicContact CE2-CZ 4.18Å; F418-F430 HydrophobicContact CG-CE1 4.45Å; F418-F430 HydrophobicContact CG-CZ 4.26Å; F418-K594 HydrophobicContact CE1-CD 4.46Å; F418-K594 HydrophobicContact CE1-CG 4Å; F418-K594 HydrophobicContact CZ-CD 4.49Å; F418-K594 HydrophobicContact CZ-CG 3.65Å; F418-L598 HydrophobicContact CD2-CB 4.34Å; F418-L598 HydrophobicContact CD2-CD1 3.78Å; F418-L598 HydrophobicContact CE2-CB 3.76Å; F418-L598 HydrophobicContact CE2-CD1 4.09Å; F418-L598 HydrophobicContact CE2-CG 4.42Å; F418-L598 HydrophobicContact CG-CD1 4.09Å; F418-L598 HydrophobicContact CZ-CB 3.88Å
419	P	93.2	Very high	92.3	Very high	20 Å²	20	65.9 Å²	65.9	13%	0.13	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-63.5	119.7	179.3	-22.3	32.5	0	0	0	112.3	T426 F430 K594	P419-T426 HydrophobicContact CB-CG2 3.98Å; P419-T426 HydrophobicContact CG-CG2 4.01Å; P419-F430 VanDerWaalsContact CD-CD2 3.47Å; P419-F430 HydrophobicContact CG-CB 3.75Å; P419-F430 HydrophobicContact CG-CD1 4.27Å; P419-F430 HydrophobicContact CG-CD2 3.9Å; P419-F430 HydrophobicContact CG-CG 3.71Å; P419-K594 WeakPolarHBondContact O-CE 3.34Å; P419-K594 PolarHBondContact O-NZ 2.69Å; P419-K594 VanDerWaalsContact O-NZ 3.14Å
420	S	90	Very high	92.8	Very high	115 Å²	115	65.1 Å²	65.1	80%	0.804	34%	0.341	S	S	*	.			trans	-79	-32.4	-177.6	58.1	0	0	0	0	113.8	F418	F418-S420 PolarHBondContact O-N 3.22Å
421	K	91.9	Very high	93.1	Very high	172 Å²	172	63.5 Å²	63.5	75%	0.748	33%	0.334	S	S	*	.	S	Bend	trans	-91.7	145.6	179.2	-64.1	-177.2	-179.1	179.1	0	110.7	D423 K594	K421-D423 PolarHBondContact O-N 3.44Å; K421-K594 PolarHBondContact O-NZ 3.24Å
422	F	91.3	Very high	93.2	Very high	75 Å²	75	60.6 Å²	60.6	33%	0.329	33%	0.325	S	S	.	.			trans	-69.5	121.6	169.7	171	-93	0	0	0	109.3	V424 L582 E587 H590 K591	F422-V424 HydrophobicContact CE1-CG2 4.41Å; F422-V424 HydrophobicContact CZ-CG2 3.94Å; F422-L582 HydrophobicContact CZ-CD1 4.4Å; F422-E587 HydrophobicContact CE1-CG 3.96Å; F422-E587 HydrophobicContact CE2-CG 4.06Å; F422-E587 HydrophobicContact CZ-CG 3.58Å; F422-H590 AromaticContact CD2-CD2 3.96Å; F422-H590 HydrophobicContact CE2-CB 4.14Å; F422-H590 AromaticContact CE2-CD2 3.41Å; F422-H590 VanDerWaalsContact CE2-CD2 3.41Å; F422-H590 WeakPolarHBondContact CE2-CD2 3.32Å; F422-H590 AromaticContact CE2-CG 3.91Å; F422-K591 HydrophobicContact CD2-CD 4.41Å; F422-K591 HydrophobicContact CD2-CG 3.62Å; F422-K591 HydrophobicContact CE2-CG 4.01Å; F422-K591 HydrophobicContact CG-CG 4.4Å
423	D	94.1	Very high	93.4	Very high	66 Å²	66	61.5 Å²	61.5	35%	0.353	33%	0.334	S	S	.	.			trans	-160.3	115.8	173.4	176.1	-108	0	0	0	109.3	K421 V425 T426 D427	K421-D423 PolarHBondContact O-N 3.44Å; D423-V425 PolarHBondContact O-N 2.95Å; D423-V425 PolarHBondContact OD1-N 3.46Å; D423-T426 PolarHBondContact O-N 2.95Å; D423-T426 WeakPolarHBondContact OD1-CB 3.15Å; D423-T426 PolarHBondContact OD1-N 3.49Å; D423-T426 PolarHBondContact OD1-OG1 2.97Å; D423-D427 PolarHBondContact N-OD2 3.23Å; D423-D427 WeakPolarHBondContact O-CB 3.38Å; D423-D427 PolarHBondContact O-N 3.45Å
424	V	93.8	Very high	93.6	Very high	20 Å²	20	61.3 Å²	61.3	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-58	-37.4	-171.5	178.4	0	0	0	0	112.1	F422 Y428 D576 R577 L582	F422-V424 HydrophobicContact CE1-CG2 4.41Å; F422-V424 HydrophobicContact CZ-CG2 3.94Å; V424-Y428 VanDerWaalsContact O-CB 3.24Å; V424-Y428 WeakPolarHBondContact O-CB 3.33Å; V424-Y428 PolarHBondContact O-N 2.95Å; V424-D576 HydrophobicContact CG1-CB 4.02Å; V424-R577 HydrophobicContact CG1-CB 4.21Å; V424-L582 HydrophobicContact CG2-CD1 3.9Å; V424-L582 HydrophobicContact CG2-CG 4.38Å
425	V	93.4	Very high	94	Very high	78 Å²	78	55.8 Å²	55.8	47%	0.473	31%	0.307	S	S	.	.	H	α-helix	trans	-73.4	-46.8	-178.2	178.8	0	0	0	0	111	D423 Y428 N429	D423-V425 PolarHBondContact O-N 2.95Å; D423-V425 PolarHBondContact OD1-N 3.46Å; V425-Y428 PolarHBondContact O-N 3.2Å; V425-N429 WeakPolarHBondContact O-CB 3.37Å; V425-N429 VanDerWaalsContact O-CG 3.28Å; V425-N429 PolarHBondContact O-N 3.49Å; V425-N429 PolarHBondContact O-ND2 3.34Å
426	T	94.1	Very high	94.3	Very high	68 Å²	68	53.8 Å²	53.8	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-43.1	177.4	-57.9	0	0	0	0	110.9	P419 D423 N429 F430	P419-T426 HydrophobicContact CB-CG2 3.98Å; P419-T426 HydrophobicContact CG-CG2 4.01Å; D423-T426 PolarHBondContact O-N 2.95Å; D423-T426 WeakPolarHBondContact OD1-CB 3.15Å; D423-T426 PolarHBondContact OD1-N 3.49Å; D423-T426 PolarHBondContact OD1-OG1 2.97Å; T426-N429 PolarHBondContact O-N 3.49Å; T426-F430 VanDerWaalsContact O-CB 3.3Å; T426-F430 WeakPolarHBondContact O-CB 3.31Å; T426-F430 PolarHBondContact O-N 3.13Å
427	D	95.4	Very high	94.5	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-41.8	179.4	-71	-30	0	0	0	111.3	D423 S431 Y573 H590 K594	D423-D427 PolarHBondContact N-OD2 3.23Å; D423-D427 WeakPolarHBondContact O-CB 3.38Å; D423-D427 PolarHBondContact O-N 3.45Å; D427-S431 WeakPolarHBondContact O-CB 3.16Å; D427-S431 PolarHBondContact O-N 3.39Å; D427-S431 PolarHBondContact O-OG 2.92Å; D427-Y573 HydrophobicContact CB-CD2 4.15Å; D427-Y573 HydrophobicContact CB-CE2 3.78Å; D427-Y573 WeakPolarHBondContact O-CD2 3.37Å; D427-H590 IonicContact OD2-NE2 2.98Å; D427-K594 VanDerWaalsContact OD1-CE 3.31Å; D427-K594 WeakPolarHBondContact OD1-CE 3.32Å; D427-K594 IonicContact OD1-NZ 3.35Å; D427-K594 PolarHBondContact OD1-NZ 2.82Å; D427-K594 IonicContact OD2-NZ 2.63Å; D427-K594 PolarHBondContact OD2-NZ 3.48Å
428	Y	95.5	Very high	94.7	Very high	19 Å²	19	46.2 Å²	46.2	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-51.7	170.7	170.2	-94.1	0	0	0	112.1	V424 V425 F430 S431 K432 H570 R574 R577	V424-Y428 VanDerWaalsContact O-CB 3.24Å; V424-Y428 WeakPolarHBondContact O-CB 3.33Å; V424-Y428 PolarHBondContact O-N 2.95Å; V425-Y428 PolarHBondContact O-N 3.2Å; Y428-F430 VanDerWaalsContact C-N 3.33Å; Y428-F430 PolarHBondContact O-N 2.72Å; Y428-S431 PolarHBondContact O-N 2.92Å; Y428-S431 PolarHBondContact O-OG 3.26Å; Y428-K432 PolarHBondContact O-N 3.05Å; Y428-H570 AromaticContact CD2-CE1 3.94Å; Y428-H570 AromaticContact CE2-CE1 3.39Å; Y428-H570 WeakPolarHBondContact CE2-CE1 3.48Å; Y428-H570 AromaticContact CZ-CE1 3.93Å; Y428-R574 HydrophobicContact CD2-CB 4.18Å; Y428-R574 HydrophobicContact CE2-CB 3.71Å; Y428-R574 HydrophobicContact CE2-CG 3.96Å; Y428-R577 VanDerWaalsContact CE1-CZ 3.49Å
429	N	93.2	Very high	94.9	Very high	82 Å²	82	44 Å²	44	44%	0.439	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-41.7	-178.2	-72.2	-28.4	0	0	0	111.5	V425 T426 K432 V433	V425-N429 WeakPolarHBondContact O-CB 3.37Å; V425-N429 VanDerWaalsContact O-CG 3.28Å; V425-N429 PolarHBondContact O-N 3.49Å; V425-N429 PolarHBondContact O-ND2 3.34Å; T426-N429 PolarHBondContact O-N 3.49Å; N429-K432 PolarHBondContact O-N 3.48Å; N429-V433 PolarHBondContact O-N 3.38Å
430	F	96.3	Very high	95.1	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-49.4	174.1	177.1	-98.5	0	0	0	111.4	P416 P417 F418 P419 T426 Y428 K432 V433 I434 L597 I601	P416-F430 HydrophobicContact CB-CE2 4.39Å; P416-F430 HydrophobicContact CG-CD2 4.1Å; P416-F430 HydrophobicContact CG-CE2 3.86Å; P417-F430 WeakPolarHBondContact O-CE2 3.36Å; F418-F430 HydrophobicContact CB-CZ 4.34Å; F418-F430 HydrophobicContact CD2-CD1 4.48Å; F418-F430 AromaticContact CD2-CE1 3.47Å; F418-F430 HydrophobicContact CD2-CE1 3.47Å; F418-F430 VanDerWaalsContact CD2-CE1 3.47Å; F418-F430 AromaticContact CD2-CZ 3.5Å; F418-F430 HydrophobicContact CD2-CZ 3.5Å; F418-F430 VanDerWaalsContact CD2-CZ 3.5Å; F418-F430 HydrophobicContact CE2-CD1 4.48Å; F418-F430 AromaticContact CE2-CE1 3.66Å; F418-F430 HydrophobicContact CE2-CE1 3.66Å; F418-F430 HydrophobicContact CE2-CZ 4.18Å; F418-F430 HydrophobicContact CG-CE1 4.45Å; F418-F430 HydrophobicContact CG-CZ 4.26Å; P419-F430 VanDerWaalsContact CD-CD2 3.47Å; P419-F430 HydrophobicContact CG-CB 3.75Å; P419-F430 HydrophobicContact CG-CD1 4.27Å; P419-F430 HydrophobicContact CG-CD2 3.9Å; P419-F430 HydrophobicContact CG-CG 3.71Å; T426-F430 VanDerWaalsContact O-CB 3.3Å; T426-F430 WeakPolarHBondContact O-CB 3.31Å; T426-F430 PolarHBondContact O-N 3.13Å; Y428-F430 VanDerWaalsContact C-N 3.33Å; Y428-F430 PolarHBondContact O-N 2.72Å; F430-K432 VanDerWaalsContact C-N 3.28Å; F430-K432 PolarHBondContact O-N 2.84Å; F430-V433 PolarHBondContact O-N 2.9Å; F430-I434 HydrophobicContact CD1-CG1 3.92Å; F430-I434 HydrophobicContact CD2-CG1 4.37Å; F430-I434 HydrophobicContact CE1-CD1 4.13Å; F430-I434 HydrophobicContact CE1-CG1 3.47Å; F430-I434 VanDerWaalsContact CE1-CG1 3.47Å; F430-I434 HydrophobicContact CE2-CD1 4Å; F430-I434 HydrophobicContact CE2-CG1 3.98Å; F430-I434 HydrophobicContact CG-CG1 4.35Å; F430-I434 HydrophobicContact CZ-CD1 3.63Å; F430-I434 HydrophobicContact CZ-CG1 3.5Å; F430-I434 WeakPolarHBondContact O-CG1 3.31Å; F430-I434 PolarHBondContact O-N 3.2Å; F430-L597 HydrophobicContact CD1-CD2 4.33Å; F430-L597 HydrophobicContact CE1-CD2 4.34Å; F430-I601 HydrophobicContact CE1-CD1 4.01Å; F430-I601 HydrophobicContact CZ-CD1 4.22Å
431	S	96.7	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-38.4	179.2	71.5	0	0	0	0	112.3	D427 Y428 V433 I434 V435 H570	D427-S431 WeakPolarHBondContact O-CB 3.16Å; D427-S431 PolarHBondContact O-N 3.39Å; D427-S431 PolarHBondContact O-OG 2.92Å; Y428-S431 PolarHBondContact O-N 2.92Å; Y428-S431 PolarHBondContact O-OG 3.26Å; S431-V433 PolarHBondContact O-N 3.35Å; S431-I434 PolarHBondContact O-N 3.38Å; S431-V435 VanDerWaalsContact O-CG2 3.3Å; S431-V435 WeakPolarHBondContact O-CG2 3.23Å; S431-V435 PolarHBondContact O-N 3.41Å; S431-H570 PolarHBondContact OG-ND1 3.31Å
432	K	95.1	Very high	95.7	Very high	79 Å²	79	32.4 Å²	32.4	34%	0.343	17%	0.169	S	C	.	.	H	α-helix	trans	-57.9	-48.6	175.7	-173.7	-179.4	177.5	180	0	111.4	Y428 N429 F430 V435 G436	Y428-K432 PolarHBondContact O-N 3.05Å; N429-K432 PolarHBondContact O-N 3.48Å; F430-K432 VanDerWaalsContact C-N 3.28Å; F430-K432 PolarHBondContact O-N 2.84Å; K432-V435 PolarHBondContact O-N 3.38Å; K432-G436 PolarHBondContact O-N 3.03Å
433	V	95.5	Very high	95.9	Very high	75 Å²	75	31.3 Å²	31.3	46%	0.455	16%	0.163	S	C	.	.	H	α-helix	trans	-64.4	-42.3	178.5	176	0	0	0	0	110.9	P416 N429 F430 S431 G436 I437	P416-V433 HydrophobicContact CG-CG1 3.97Å; N429-V433 PolarHBondContact O-N 3.38Å; F430-V433 PolarHBondContact O-N 2.9Å; S431-V433 PolarHBondContact O-N 3.35Å; V433-G436 PolarHBondContact O-N 3.29Å; V433-I437 HydrophobicContact CG1-CD1 3.82Å; V433-I437 HydrophobicContact CG1-CG1 4.48Å; V433-I437 WeakPolarHBondContact O-CG1 3.24Å; V433-I437 PolarHBondContact O-N 2.94Å
434	I	97.8	Very high	96	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-44.2	179	-69.6	-58.5	0	0	0	112.2	T415 P416 F430 S431 G436 I437 V438 I566 L597 I601	T415-I434 HydrophobicContact CG2-CD1 3.55Å; P416-I434 HydrophobicContact CG-CD1 4.39Å; F430-I434 HydrophobicContact CD1-CG1 3.92Å; F430-I434 HydrophobicContact CD2-CG1 4.37Å; F430-I434 HydrophobicContact CE1-CD1 4.13Å; F430-I434 HydrophobicContact CE1-CG1 3.47Å; F430-I434 VanDerWaalsContact CE1-CG1 3.47Å; F430-I434 HydrophobicContact CE2-CD1 4Å; F430-I434 HydrophobicContact CE2-CG1 3.98Å; F430-I434 HydrophobicContact CG-CG1 4.35Å; F430-I434 HydrophobicContact CZ-CD1 3.63Å; F430-I434 HydrophobicContact CZ-CG1 3.5Å; F430-I434 WeakPolarHBondContact O-CG1 3.31Å; F430-I434 PolarHBondContact O-N 3.2Å; S431-I434 PolarHBondContact O-N 3.38Å; I434-G436 VanDerWaalsContact C-N 3.27Å; I434-G436 PolarHBondContact O-N 2.94Å; I434-I437 HydrophobicContact CD1-CD1 4.38Å; I434-I437 PolarHBondContact O-N 3.4Å; I434-I437 VanDerWaalsContact O-N 3.14Å; I434-V438 HydrophobicContact CG2-CG2 4.09Å; I434-V438 WeakPolarHBondContact O-CG2 3.32Å; I434-V438 PolarHBondContact O-N 3.04Å; I434-I566 HydrophobicContact CG2-CG2 4.01Å; I434-L597 HydrophobicContact CG2-CD1 4.42Å; I434-I601 HydrophobicContact CB-CD1 4.5Å; I434-I601 HydrophobicContact CD1-CD1 4.08Å; I434-I601 HydrophobicContact CG1-CD1 3.99Å; I434-I601 HydrophobicContact CG2-CD1 3.75Å; I434-I601 HydrophobicContact CG2-CG1 3.69Å
435	V	97.6	Very high	96.2	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-56.6	-46.3	177.3	177	0	0	0	0	109.7	P117 S431 K432 I437 V438 H439 L563 I566 H570	P117-V435 HydrophobicContact CB-CB 3.98Å; P117-V435 HydrophobicContact CB-CG1 3.4Å; P117-V435 VanDerWaalsContact CB-CG1 3.4Å; P117-V435 HydrophobicContact CG-CB 4.49Å; P117-V435 HydrophobicContact CG-CG1 3.99Å; S431-V435 VanDerWaalsContact O-CG2 3.3Å; S431-V435 WeakPolarHBondContact O-CG2 3.23Å; S431-V435 PolarHBondContact O-N 3.41Å; K432-V435 PolarHBondContact O-N 3.38Å; V435-I437 PolarHBondContact O-N 3.35Å; V435-V438 PolarHBondContact O-N 3Å; V435-V438 VanDerWaalsContact O-N 3.14Å; V435-H439 PolarHBondContact O-CD2 3.46Å; V435-H439 PolarHBondContact O-N 3.4Å; V435-L563 HydrophobicContact CG1-CD1 4.29Å; V435-I566 HydrophobicContact CG2-CG2 3.89Å; V435-H570 HydrophobicContact CG2-CB 3.64Å
436	G	96.6	Very high	96.3	Very high	1 Å²	1	28 Å²	28	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-59.1	-44.2	175.8	0	0	0	0	0	113.4	P117 F121 K432 V433 I434 V438 H439 Q440	P117-G436 VanDerWaalsContact O-CA 3.31Å; P117-G436 WeakPolarHBondContact O-CA 3.39Å; F121-G436 WeakPolarHBondContact CE2-O 3.35Å; K432-G436 PolarHBondContact O-N 3.03Å; V433-G436 PolarHBondContact O-N 3.29Å; I434-G436 VanDerWaalsContact C-N 3.27Å; I434-G436 PolarHBondContact O-N 2.94Å; G436-V438 VanDerWaalsContact C-N 3.31Å; G436-V438 PolarHBondContact O-N 3.42Å; G436-H439 WeakPolarHBondContact O-CB 3.43Å; G436-H439 PolarHBondContact O-N 2.93Å; G436-Q440 PolarHBondContact O-N 2.87Å
437	I	97.2	Very high	96.3	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-39.2	175.4	-71.1	166.3	0	0	0	111.3	F121 P413 E414 V433 I434 V435 Q440 Y441	F121-I437 HydrophobicContact CE2-CG1 4.25Å; F121-I437 HydrophobicContact CZ-CG1 3.96Å; P413-I437 HydrophobicContact CB-CG2 3.91Å; E414-I437 VanDerWaalsContact O-CD1 3.32Å; E414-I437 WeakPolarHBondContact O-CD1 3.27Å; V433-I437 HydrophobicContact CG1-CD1 3.82Å; V433-I437 HydrophobicContact CG1-CG1 4.48Å; V433-I437 WeakPolarHBondContact O-CG1 3.24Å; V433-I437 PolarHBondContact O-N 2.94Å; I434-I437 HydrophobicContact CD1-CD1 4.38Å; I434-I437 PolarHBondContact O-N 3.4Å; I434-I437 VanDerWaalsContact O-N 3.14Å; V435-I437 PolarHBondContact O-N 3.35Å; I437-Q440 WeakPolarHBondContact O-CA 3.36Å; I437-Q440 WeakPolarHBondContact O-CB 3.31Å; I437-Q440 PolarHBondContact O-N 3.38Å; I437-Q440 VanDerWaalsContact O-N 3.15Å; I437-Y441 HydrophobicContact CG2-CD2 3.74Å; I437-Y441 HydrophobicContact CG2-CE2 3.59Å; I437-Y441 VanDerWaalsContact O-CD2 3.31Å; I437-Y441 WeakPolarHBondContact O-CD2 3.42Å; I437-Y441 PolarHBondContact O-N 3.31Å
438	V	97.8	Very high	96.3	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-69.6	-35.8	178.2	-177	0	0	0	0	111.5	I434 V435 G436 Q440 Y441 K442 M559 L563 I566 V604	I434-V438 HydrophobicContact CG2-CG2 4.09Å; I434-V438 WeakPolarHBondContact O-CG2 3.32Å; I434-V438 PolarHBondContact O-N 3.04Å; V435-V438 PolarHBondContact O-N 3Å; V435-V438 VanDerWaalsContact O-N 3.14Å; G436-V438 VanDerWaalsContact C-N 3.31Å; G436-V438 PolarHBondContact O-N 3.42Å; V438-Q440 VanDerWaalsContact C-N 3.28Å; V438-Q440 PolarHBondContact O-N 2.93Å; V438-Y441 PolarHBondContact O-N 3.25Å; V438-K442 WeakPolarHBondContact O-CB 3.34Å; V438-K442 PolarHBondContact O-N 3.13Å; V438-M559 HydrophobicContact CG1-SD 4.44Å; V438-L563 HydrophobicContact CB-CD1 3.94Å; V438-L563 HydrophobicContact CG1-CB 3.9Å; V438-L563 HydrophobicContact CG1-CD1 3.75Å; V438-L563 HydrophobicContact CG1-CG 4.38Å; V438-I566 HydrophobicContact CG1-CD1 4.38Å; V438-I566 HydrophobicContact CG2-CD1 3.74Å; V438-V604 HydrophobicContact CG1-CG1 4.42Å; V438-V604 HydrophobicContact CG1-CG2 4.09Å; V438-V604 HydrophobicContact CG2-CG1 4.47Å; V438-V604 HydrophobicContact CG2-CG2 4.43Å
439	H	97.4	Very high	96.3	Very high	21 Å²	21	28.6 Å²	28.6	10%	0.097	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-39.9	168.1	-84.5	-91.4	0	0	0	111.7	E118 V435 G436 K442 R443	E118-H439 IonicContact OE1-CE1 2.74Å; E118-H439 IonicContact OE1-ND1 2.73Å; E118-H439 PolarHBondContact OE1-ND1 3.44Å; V435-H439 PolarHBondContact O-CD2 3.46Å; V435-H439 PolarHBondContact O-N 3.4Å; G436-H439 WeakPolarHBondContact O-CB 3.43Å; G436-H439 PolarHBondContact O-N 2.93Å; H439-K442 WeakPolarHBondContact O-CB 3.44Å; H439-K442 PolarHBondContact O-N 3.16Å; H439-R443 WeakPolarHBondContact O-CG 3.34Å; H439-R443 PolarHBondContact O-N 2.85Å
440	Q	96.1	Very high	96.4	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-45.6	174.3	-165	-176.7	12	0	0	112	F121 P413 G436 I437 V438 K442 R443 I444	F121-Q440 HydrophobicContact CD2-CB 3.96Å; F121-Q440 HydrophobicContact CD2-CG 4.34Å; F121-Q440 HydrophobicContact CE2-CB 3.95Å; P413-Q440 HydrophobicContact CG-CB 4.26Å; P413-Q440 HydrophobicContact CG-CG 3.97Å; G436-Q440 PolarHBondContact O-N 2.87Å; I437-Q440 WeakPolarHBondContact O-CA 3.36Å; I437-Q440 WeakPolarHBondContact O-CB 3.31Å; I437-Q440 PolarHBondContact O-N 3.38Å; I437-Q440 VanDerWaalsContact O-N 3.15Å; V438-Q440 VanDerWaalsContact C-N 3.28Å; V438-Q440 PolarHBondContact O-N 2.93Å; Q440-K442 VanDerWaalsContact C-N 3.33Å; Q440-K442 PolarHBondContact O-N 3.26Å; Q440-R443 PolarHBondContact O-N 3.28Å; Q440-I444 HydrophobicContact CG-CD1 4.35Å; Q440-I444 WeakPolarHBondContact O-CG1 3.47Å; Q440-I444 PolarHBondContact O-N 3.34Å
441	Y	97.4	Very high	96.4	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-57.5	-44.9	172.8	-84.2	-70.9	0	0	0	111.7	E412 P413 I437 V438 R443 I444 V445 V604 F608	E412-Y441 HydrophobicContact CG-CE1 4.12Å; E412-Y441 PolarHBondContact OE1-OH 3.24Å; E412-Y441 VanDerWaalsContact OE1-OH 3.05Å; P413-Y441 HydrophobicContact CB-CD2 4.35Å; P413-Y441 HydrophobicContact CB-CE2 3.94Å; P413-Y441 HydrophobicContact CG-CD1 4.18Å; P413-Y441 HydrophobicContact CG-CD2 4.13Å; P413-Y441 HydrophobicContact CG-CE1 4.1Å; P413-Y441 HydrophobicContact CG-CE2 4.05Å; P413-Y441 HydrophobicContact CG-CG 4.2Å; I437-Y441 HydrophobicContact CG2-CD2 3.74Å; I437-Y441 HydrophobicContact CG2-CE2 3.59Å; I437-Y441 VanDerWaalsContact O-CD2 3.31Å; I437-Y441 WeakPolarHBondContact O-CD2 3.42Å; I437-Y441 PolarHBondContact O-N 3.31Å; V438-Y441 PolarHBondContact O-N 3.25Å; Y441-R443 PolarHBondContact O-N 3.28Å; Y441-I444 PolarHBondContact O-N 3.42Å; Y441-V445 WeakPolarHBondContact O-CG2 3.48Å; Y441-V445 PolarHBondContact O-N 3.24Å; Y441-V604 HydrophobicContact CD2-CG1 3.84Å; Y441-V604 HydrophobicContact CE2-CG1 4.36Å; Y441-V604 HydrophobicContact CG-CG1 3.98Å; Y441-F608 HydrophobicContact CD1-CB 3.99Å; Y441-F608 AromaticContact CD1-CD1 3.86Å; Y441-F608 HydrophobicContact CD1-CD1 3.86Å; Y441-F608 AromaticContact CD1-CD2 3.72Å; Y441-F608 HydrophobicContact CD1-CD2 3.72Å; Y441-F608 HydrophobicContact CD1-CE1 4.21Å; Y441-F608 HydrophobicContact CD1-CE2 4.09Å; Y441-F608 AromaticContact CD1-CG 3.57Å; Y441-F608 HydrophobicContact CD1-CG 3.57Å; Y441-F608 HydrophobicContact CD1-CZ 4.3Å; Y441-F608 HydrophobicContact CE1-CB 4.13Å; Y441-F608 AromaticContact CE1-CD1 3.47Å; Y441-F608 HydrophobicContact CE1-CD1 3.47Å; Y441-F608 VanDerWaalsContact CE1-CD1 3.47Å; Y441-F608 HydrophobicContact CE1-CD2 4.23Å; Y441-F608 AromaticContact CE1-CE1 3.83Å; Y441-F608 HydrophobicContact CE1-CE1 3.83Å; Y441-F608 AromaticContact CE1-CG 3.67Å; Y441-F608 HydrophobicContact CE1-CG 3.67Å; Y441-F608 HydrophobicContact CE1-CZ 4.32Å
442	K	97.2	Very high	96.4	Very high	47 Å²	47	27.6 Å²	27.6	20%	0.204	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-46.5	176.7	178.8	-174.7	165.2	-169.9	0	111.7	V438 H439 Q440 I444 V445 L446 M559 L563	V438-K442 WeakPolarHBondContact O-CB 3.34Å; V438-K442 PolarHBondContact O-N 3.13Å; H439-K442 WeakPolarHBondContact O-CB 3.44Å; H439-K442 PolarHBondContact O-N 3.16Å; Q440-K442 VanDerWaalsContact C-N 3.33Å; Q440-K442 PolarHBondContact O-N 3.26Å; K442-I444 PolarHBondContact O-N 3.2Å; K442-V445 PolarHBondContact O-N 2.81Å; K442-L446 HydrophobicContact CG-CD1 4.18Å; K442-L446 WeakPolarHBondContact O-CG 3.44Å; K442-L446 PolarHBondContact O-N 3.43Å; K442-M559 HydrophobicContact CB-CG 3.97Å; K442-M559 HydrophobicContact CG-CG 4.43Å; K442-L563 HydrophobicContact CD-CD2 3.67Å
443	R	95.9	Very high	96.4	Very high	52 Å²	52	27.9 Å²	27.9	20%	0.196	14%	0.139	C	C	.	.	H	α-helix	trans	-59.5	-44.3	176.3	-72.9	-172	-63.8	-94.8	5.5	112.1	E118 H439 Q440 Y441 L446 L447	E118-R443 PolarHBondContact O-NH1 2.99Å; H439-R443 WeakPolarHBondContact O-CG 3.34Å; H439-R443 PolarHBondContact O-N 2.85Å; Q440-R443 PolarHBondContact O-N 3.28Å; Y441-R443 PolarHBondContact O-N 3.28Å; R443-L446 PolarHBondContact O-N 2.85Å; R443-L447 WeakPolarHBondContact O-CB 3.45Å; R443-L447 PolarHBondContact O-N 3.09Å
444	I	96.1	Very high	96.5	Very high	14 Å²	14	24.7 Å²	24.7	7%	0.072	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-40.9	177.6	-60.8	166.2	0	0	0	110.7	F410 P413 Q440 Y441 K442 L446 L447 L448 F608	F410-I444 HydrophobicContact CB-CD1 4.31Å; F410-I444 HydrophobicContact CB-CG1 4.28Å; F410-I444 HydrophobicContact CB-CG2 3.72Å; F410-I444 HydrophobicContact CD1-CG2 3.84Å; F410-I444 HydrophobicContact CD2-CD1 4.42Å; F410-I444 HydrophobicContact CD2-CG2 3.86Å; F410-I444 HydrophobicContact CE1-CG2 4.47Å; F410-I444 HydrophobicContact CG-CG2 3.5Å; F410-I444 VanDerWaalsContact CG-CG2 3.5Å; P413-I444 HydrophobicContact CG-CD1 3.9Å; Q440-I444 HydrophobicContact CG-CD1 4.35Å; Q440-I444 WeakPolarHBondContact O-CG1 3.47Å; Q440-I444 PolarHBondContact O-N 3.34Å; Y441-I444 PolarHBondContact O-N 3.42Å; K442-I444 PolarHBondContact O-N 3.2Å; I444-L446 VanDerWaalsContact C-N 3.34Å; I444-L446 PolarHBondContact O-N 2.88Å; I444-L447 WeakPolarHBondContact O-CB 3.38Å; I444-L447 PolarHBondContact O-N 3.48Å; I444-L448 HydrophobicContact CG2-CD1 4.17Å; I444-L448 HydrophobicContact CG2-CG 4.24Å; I444-L448 WeakPolarHBondContact O-CB 3.46Å; I444-L448 VanDerWaalsContact O-CG 3.29Å; I444-L448 WeakPolarHBondContact O-CG 3.46Å; I444-L448 PolarHBondContact O-N 3.43Å; I444-F608 HydrophobicContact CB-CE2 4.13Å; I444-F608 HydrophobicContact CG2-CE2 3.62Å; I444-F608 HydrophobicContact CG2-CZ 3.95Å
445	V	97.2	Very high	96.4	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-42.1	176.7	170.3	0	0	0	0	111.5	Y441 K442 L448 H449 M559 F608 C612	Y441-V445 WeakPolarHBondContact O-CG2 3.48Å; Y441-V445 PolarHBondContact O-N 3.24Å; K442-V445 PolarHBondContact O-N 2.81Å; V445-L448 PolarHBondContact O-N 2.72Å; V445-H449 WeakPolarHBondContact O-CB 3.48Å; V445-H449 PolarHBondContact O-N 2.92Å; V445-M559 HydrophobicContact CG2-CE 3.83Å; V445-F608 HydrophobicContact CG2-CD2 3.8Å; V445-F608 HydrophobicContact CG2-CE2 4.39Å; V445-C612 HydrophobicContact CG2-CB 4.28Å
446	L	96	Very high	96.4	Very high	78 Å²	78	24.9 Å²	24.9	41%	0.408	12%	0.12	S	C	.	.	H	α-helix	trans	-62.6	-45.2	174	-71.6	167.6	0	0	0	111.5	K442 R443 I444 L448 H449 T450 C556	K442-L446 HydrophobicContact CG-CD1 4.18Å; K442-L446 WeakPolarHBondContact O-CG 3.44Å; K442-L446 PolarHBondContact O-N 3.43Å; R443-L446 PolarHBondContact O-N 2.85Å; I444-L446 VanDerWaalsContact C-N 3.34Å; I444-L446 PolarHBondContact O-N 2.88Å; L446-L448 PolarHBondContact O-N 2.77Å; L446-H449 WeakPolarHBondContact O-CB 3.05Å; L446-H449 PolarHBondContact O-N 3.18Å; L446-T450 PolarHBondContact O-N 3.1Å; L446-T450 PolarHBondContact O-OG1 2.85Å; L446-C556 HydrophobicContact CD2-CB 4.08Å
447	L	94.9	Very high	96.3	Very high	58 Å²	58	29.5 Å²	29.5	30%	0.304	14%	0.141	S	C	.	.	H	α-helix	trans	-56.4	-49.4	175.6	-177	74.8	0	0	0	111.5	R443 I444 H449 T450 Y451	R443-L447 WeakPolarHBondContact O-CB 3.45Å; R443-L447 PolarHBondContact O-N 3.09Å; I444-L447 WeakPolarHBondContact O-CB 3.38Å; I444-L447 PolarHBondContact O-N 3.48Å; L447-H449 VanDerWaalsContact C-N 3.29Å; L447-H449 PolarHBondContact O-N 2.96Å; L447-T450 PolarHBondContact O-N 3.29Å; L447-Y451 HydrophobicContact CD1-CD1 4.04Å; L447-Y451 HydrophobicContact CD1-CE1 3.4Å; L447-Y451 HydrophobicContact CG-CD1 4.31Å; L447-Y451 HydrophobicContact CG-CE1 4.01Å; L447-Y451 HydrophobicContact CG-CE2 4.48Å; L447-Y451 WeakPolarHBondContact O-CB 3.38Å; L447-Y451 WeakPolarHBondContact O-CD1 3.35Å; L447-Y451 PolarHBondContact O-N 2.92Å
448	L	95.6	Very high	96.3	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-35.9	178.6	-69.2	179	0	0	0	112.1	P409 F410 I444 V445 L446 R452 F608 V613 Y616	P409-L448 HydrophobicContact CG-CD2 4.17Å; F410-L448 HydrophobicContact CD1-CD1 4.34Å; F410-L448 HydrophobicContact CD1-CD2 3.86Å; F410-L448 HydrophobicContact CD1-CG 4.36Å; F410-L448 HydrophobicContact CE1-CD1 3.89Å; F410-L448 HydrophobicContact CE1-CD2 3.79Å; F410-L448 HydrophobicContact CE1-CG 4.3Å; F410-L448 HydrophobicContact CZ-CD1 4.48Å; I444-L448 HydrophobicContact CG2-CD1 4.17Å; I444-L448 HydrophobicContact CG2-CG 4.24Å; I444-L448 WeakPolarHBondContact O-CB 3.46Å; I444-L448 VanDerWaalsContact O-CG 3.29Å; I444-L448 WeakPolarHBondContact O-CG 3.46Å; I444-L448 PolarHBondContact O-N 3.43Å; V445-L448 PolarHBondContact O-N 2.72Å; L446-L448 PolarHBondContact O-N 2.77Å; L448-R452 WeakPolarHBondContact O-CG 3.12Å; L448-R452 PolarHBondContact O-N 2.84Å; L448-R452 VanDerWaalsContact O-N 3.09Å; L448-F608 HydrophobicContact CD1-CE2 4.38Å; L448-V613 HydrophobicContact CD1-CG2 4.1Å; L448-Y616 HydrophobicContact CD2-CD1 3.63Å; L448-Y616 HydrophobicContact CD2-CD2 4.05Å; L448-Y616 HydrophobicContact CD2-CE1 3.83Å; L448-Y616 HydrophobicContact CD2-CE2 4.25Å; L448-Y616 HydrophobicContact CD2-CG 3.74Å
449	H	95.6	Very high	96.2	Very high	42 Å²	42	29.3 Å²	29.3	19%	0.194	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-53.5	174.7	-174.4	79.4	0	0	0	111	V445 L446 L447 Y451 R452 E453	V445-H449 WeakPolarHBondContact O-CB 3.48Å; V445-H449 PolarHBondContact O-N 2.92Å; L446-H449 WeakPolarHBondContact O-CB 3.05Å; L446-H449 PolarHBondContact O-N 3.18Å; L447-H449 VanDerWaalsContact C-N 3.29Å; L447-H449 PolarHBondContact O-N 2.96Å; H449-Y451 VanDerWaalsContact C-N 3.3Å; H449-Y451 PolarHBondContact O-N 2.93Å; H449-R452 WeakPolarHBondContact O-CB 3.02Å; H449-R452 PolarHBondContact O-N 2.49Å; H449-R452 VanDerWaalsContact O-N 3.08Å; H449-E453 IonicContact CD2-OE1 2.73Å; H449-E453 IonicContact NE2-OE1 2.88Å; H449-E453 PolarHBondContact NE2-OE1 2.87Å; H449-E453 PolarHBondContact O-N 2.59Å; H449-E453 VanDerWaalsContact O-N 3.1Å
450	T	95.5	Very high	96.2	Very high	41 Å²	41	32.9 Å²	32.9	25%	0.252	15%	0.153	S	C	.	.	H	α-helix	trans	-58.6	-40.6	177.5	-59.2	0	0	0	0	112.1	L446 L447 R452 E453 L454	L446-T450 PolarHBondContact O-N 3.1Å; L446-T450 PolarHBondContact O-OG1 2.85Å; L447-T450 PolarHBondContact O-N 3.29Å; T450-R452 VanDerWaalsContact C-N 3.32Å; T450-R452 PolarHBondContact O-N 3.41Å; T450-E453 WeakPolarHBondContact O-CB 3.41Å; T450-E453 PolarHBondContact O-N 2.78Å; T450-L454 HydrophobicContact CG2-CD1 4.06Å; T450-L454 HydrophobicContact CG2-CG 4.33Å; T450-L454 WeakPolarHBondContact O-CG 3.47Å; T450-L454 PolarHBondContact O-N 3.04Å
451	Y	95.9	Very high	96.1	Very high	21 Å²	21	33 Å²	33	8%	0.082	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-34.7	177.8	-80.1	23.6	0	0	0	112.1	F330 A335 A337 P409 L447 H449 E453 L454 L455	F330-Y451 AromaticContact CE2-CD1 3.82Å; F330-Y451 HydrophobicContact CE2-CD1 3.82Å; F330-Y451 AromaticContact CE2-CD2 3.95Å; F330-Y451 HydrophobicContact CE2-CD2 3.95Å; F330-Y451 HydrophobicContact CE2-CE1 4.06Å; F330-Y451 HydrophobicContact CE2-CE2 4.2Å; F330-Y451 AromaticContact CE2-CG 3.78Å; F330-Y451 HydrophobicContact CE2-CG 3.78Å; F330-Y451 HydrophobicContact CZ-CD2 4.46Å; F330-Y451 HydrophobicContact CZ-CG 4.32Å; A335-Y451 WeakPolarHBondContact O-CD2 3.46Å; A337-Y451 HydrophobicContact CB-CE1 3.65Å; A337-Y451 WeakPolarHBondContact CB-OH 3.49Å; A337-Y451 PolarHBondContact N-OH 2.85Å; A337-Y451 VanDerWaalsContact N-OH 3.14Å; P409-Y451 HydrophobicContact CB-CD2 4.18Å; P409-Y451 HydrophobicContact CB-CE2 3.57Å; P409-Y451 HydrophobicContact CG-CD2 3.92Å; P409-Y451 HydrophobicContact CG-CE2 3.83Å; L447-Y451 HydrophobicContact CD1-CD1 4.04Å; L447-Y451 HydrophobicContact CD1-CE1 3.4Å; L447-Y451 HydrophobicContact CG-CD1 4.31Å; L447-Y451 HydrophobicContact CG-CE1 4.01Å; L447-Y451 HydrophobicContact CG-CE2 4.48Å; L447-Y451 WeakPolarHBondContact O-CB 3.38Å; L447-Y451 WeakPolarHBondContact O-CD1 3.35Å; L447-Y451 PolarHBondContact O-N 2.92Å; H449-Y451 VanDerWaalsContact C-N 3.3Å; H449-Y451 PolarHBondContact O-N 2.93Å; Y451-E453 VanDerWaalsContact C-N 3.35Å; Y451-L454 PolarHBondContact O-N 3.34Å; Y451-L455 VanDerWaalsContact O-CB 3.28Å; Y451-L455 WeakPolarHBondContact O-CB 3.46Å; Y451-L455 WeakPolarHBondContact O-CD1 3.28Å; Y451-L455 WeakPolarHBondContact O-CG 3.5Å; Y451-L455 PolarHBondContact O-N 2.87Å
452	R	95.9	Very high	96	Very high	16 Å²	16	32.9 Å²	32.9	6%	0.06	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-41	173.1	-69.7	168.9	66.2	-157.3	-6.7	111.3	L448 H449 T450 L456 L550 D553 Y616 L619	L448-R452 WeakPolarHBondContact O-CG 3.12Å; L448-R452 PolarHBondContact O-N 2.84Å; L448-R452 VanDerWaalsContact O-N 3.09Å; H449-R452 WeakPolarHBondContact O-CB 3.02Å; H449-R452 PolarHBondContact O-N 2.49Å; H449-R452 VanDerWaalsContact O-N 3.08Å; T450-R452 VanDerWaalsContact C-N 3.32Å; T450-R452 PolarHBondContact O-N 3.41Å; R452-L456 WeakPolarHBondContact O-CB 3.29Å; R452-L456 WeakPolarHBondContact O-CD1 3.4Å; R452-L456 VanDerWaalsContact O-CG 3.25Å; R452-L456 WeakPolarHBondContact O-CG 3.34Å; R452-L456 PolarHBondContact O-N 3.44Å; R452-L550 HydrophobicContact CB-CD1 4.08Å; R452-L550 HydrophobicContact CB-CD2 3.91Å; R452-D553 IonicContact CZ-OD2 3.66Å; R452-D553 IonicContact NH1-OD2 3.9Å; R452-D553 PolarHBondContact NH1-OD2 2.95Å; R452-D553 IonicContact NH2-OD2 2.72Å; R452-Y616 HydrophobicContact CG-CD2 3.7Å; R452-Y616 HydrophobicContact CG-CE2 4.35Å; R452-L619 HydrophobicContact CB-CD2 3.81Å; R452-L619 HydrophobicContact CG-CD2 3.69Å
453	E	96.1	Very high	96	Very high	86 Å²	86	30.9 Å²	30.9	40%	0.402	15%	0.147	S	C	.	.	H	α-helix	trans	-60.5	-52.2	174.9	-64.3	178.3	139.2	0	0	110.7	H449 T450 Y451 L455 L456 Q457 L550	H449-E453 IonicContact CD2-OE1 2.73Å; H449-E453 IonicContact NE2-OE1 2.88Å; H449-E453 PolarHBondContact NE2-OE1 2.87Å; H449-E453 PolarHBondContact O-N 2.59Å; H449-E453 VanDerWaalsContact O-N 3.1Å; T450-E453 WeakPolarHBondContact O-CB 3.41Å; T450-E453 PolarHBondContact O-N 2.78Å; Y451-E453 VanDerWaalsContact C-N 3.35Å; E453-L455 PolarHBondContact O-N 3.45Å; E453-L456 PolarHBondContact O-N 2.82Å; E453-Q457 WeakPolarHBondContact O-CB 3.36Å; E453-Q457 PolarHBondContact O-N 2.9Å; E453-L550 HydrophobicContact CB-CD2 4.29Å; E453-L550 HydrophobicContact CG-CD2 3.55Å; E453-L550 HydrophobicContact CG-CG 4.42Å
454	L	96.3	Very high	95.9	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-40.9	-179.6	-68.1	175.9	0	0	0	112.7	F330 P394 T450 Y451 G458	F330-L454 HydrophobicContact CB-CD1 4.43Å; F330-L454 HydrophobicContact CD1-CB 4.12Å; F330-L454 HydrophobicContact CD2-CB 4.28Å; F330-L454 HydrophobicContact CD2-CD1 3.63Å; F330-L454 HydrophobicContact CE1-CB 4.07Å; F330-L454 HydrophobicContact CE2-CB 4.25Å; F330-L454 HydrophobicContact CE2-CD1 4.04Å; F330-L454 HydrophobicContact CG-CB 4.22Å; F330-L454 HydrophobicContact CG-CD1 4.02Å; F330-L454 HydrophobicContact CZ-CB 4.15Å; P394-L454 HydrophobicContact CG-CD1 4.03Å; P394-L454 HydrophobicContact CG-CD2 3.75Å; T450-L454 HydrophobicContact CG2-CD1 4.06Å; T450-L454 HydrophobicContact CG2-CG 4.33Å; T450-L454 WeakPolarHBondContact O-CG 3.47Å; T450-L454 PolarHBondContact O-N 3.04Å; Y451-L454 PolarHBondContact O-N 3.34Å; L454-G458 WeakPolarHBondContact O-CA 3.33Å; L454-G458 PolarHBondContact O-N 3.36Å
455	L	96.2	Very high	95.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-53	174.3	-76.5	166	0	0	0	110.5	F330 L332 A335 Y451 E453 Q457 G458 Y459 Y616 L619 L620 T623	F330-L455 HydrophobicContact CE1-CD2 3.88Å; F330-L455 HydrophobicContact CE1-CG 4.01Å; F330-L455 HydrophobicContact CZ-CD2 4.11Å; F330-L455 HydrophobicContact CZ-CG 3.94Å; L332-L455 HydrophobicContact CD1-CD2 4.23Å; A335-L455 HydrophobicContact CB-CD1 4.17Å; A335-L455 HydrophobicContact CB-CD2 3.83Å; A335-L455 HydrophobicContact CB-CG 4.47Å; Y451-L455 VanDerWaalsContact O-CB 3.28Å; Y451-L455 WeakPolarHBondContact O-CB 3.46Å; Y451-L455 WeakPolarHBondContact O-CD1 3.28Å; Y451-L455 WeakPolarHBondContact O-CG 3.5Å; Y451-L455 PolarHBondContact O-N 2.87Å; E453-L455 PolarHBondContact O-N 3.45Å; L455-Q457 VanDerWaalsContact C-N 3.34Å; L455-Q457 PolarHBondContact O-N 3.47Å; L455-G458 PolarHBondContact O-N 2.93Å; L455-Y459 HydrophobicContact CD2-CE2 3.93Å; L455-Y459 WeakPolarHBondContact O-CD2 3.33Å; L455-Y459 PolarHBondContact O-N 3.45Å; L455-Y616 HydrophobicContact CD1-CE2 3.93Å; L455-L619 HydrophobicContact CB-CD2 4.07Å; L455-L619 HydrophobicContact CD1-CD2 3.93Å; L455-L619 HydrophobicContact CD1-CG 4.43Å; L455-L620 HydrophobicContact CD1-CD2 4.05Å; L455-T623 HydrophobicContact CD2-CG2 4.4Å
456	L	96.8	Very high	95.7	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-41.7	-177.3	-72.5	169.3	0	0	0	111.8	R452 E453 Y460 Q543 L546 A547 L550 L619 W626	R452-L456 WeakPolarHBondContact O-CB 3.29Å; R452-L456 WeakPolarHBondContact O-CD1 3.4Å; R452-L456 VanDerWaalsContact O-CG 3.25Å; R452-L456 WeakPolarHBondContact O-CG 3.34Å; R452-L456 PolarHBondContact O-N 3.44Å; E453-L456 PolarHBondContact O-N 2.82Å; L456-Y460 VanDerWaalsContact O-CB 3.27Å; L456-Y460 WeakPolarHBondContact O-CB 3.37Å; L456-Y460 PolarHBondContact O-N 3.28Å; L456-Q543 HydrophobicContact CD2-CG 4.11Å; L456-Q543 PolarHBondContact O-NE2 3.26Å; L456-L546 HydrophobicContact CD2-CB 3.81Å; L456-A547 HydrophobicContact CD1-CB 4.27Å; L456-L550 HydrophobicContact CD1-CB 4.37Å; L456-L550 HydrophobicContact CD1-CD2 3.8Å; L456-L619 HydrophobicContact CD2-CD1 3.69Å; L456-L619 HydrophobicContact CG-CD1 4.16Å; L456-L619 HydrophobicContact CG-CD2 4.21Å; L456-W626 HydrophobicContact CD2-CH2 4.11Å; L456-W626 HydrophobicContact CD2-CZ3 4.25Å
457	Q	95.8	Very high	95.6	Very high	99 Å²	99	33.1 Å²	33.1	46%	0.463	15%	0.153	S	C	.	.	H	α-helix	trans	-68.4	-41.4	176.7	-175.2	179.3	-5.1	0	0	112.1	E453 L455 Y460 S461	E453-Q457 WeakPolarHBondContact O-CB 3.36Å; E453-Q457 PolarHBondContact O-N 2.9Å; L455-Q457 VanDerWaalsContact C-N 3.34Å; L455-Q457 PolarHBondContact O-N 3.47Å; Q457-Y460 PolarHBondContact O-N 2.93Å; Q457-S461 WeakPolarHBondContact O-CB 3.37Å; Q457-S461 PolarHBondContact O-N 2.85Å; Q457-S461 PolarHBondContact O-OG 3.4Å
458	G	96.1	Very high	95.6	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-46.6	179	0	0	0	0	0	112.3	L454 L455 S461 Y462	L454-G458 WeakPolarHBondContact O-CA 3.33Å; L454-G458 PolarHBondContact O-N 3.36Å; L455-G458 PolarHBondContact O-N 2.93Å; G458-S461 WeakPolarHBondContact O-CB 3.1Å; G458-S461 PolarHBondContact O-N 3.15Å; G458-Y462 WeakPolarHBondContact O-CB 3.39Å; G458-Y462 PolarHBondContact O-N 3.27Å
459	Y	96.4	Very high	95.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-67.7	-36.6	175.6	-81.1	-74.7	0	0	0	112.6	L332 L455 S461 Y462 M463 T623 W626 S627 L630	L332-Y459 HydrophobicContact CD1-CD2 3.96Å; L332-Y459 HydrophobicContact CD1-CE2 3.91Å; L332-Y459 HydrophobicContact CD2-CD1 4.16Å; L332-Y459 HydrophobicContact CD2-CD2 4.21Å; L332-Y459 HydrophobicContact CD2-CE1 4.18Å; L332-Y459 HydrophobicContact CD2-CE2 4.18Å; L332-Y459 HydrophobicContact CD2-CG 4.17Å; L332-Y459 HydrophobicContact CG-CD2 4.1Å; L332-Y459 HydrophobicContact CG-CE1 4.46Å; L332-Y459 HydrophobicContact CG-CE2 3.74Å; L455-Y459 HydrophobicContact CD2-CE2 3.93Å; L455-Y459 WeakPolarHBondContact O-CD2 3.33Å; L455-Y459 PolarHBondContact O-N 3.45Å; Y459-S461 VanDerWaalsContact C-N 3.32Å; Y459-S461 PolarHBondContact O-N 3.29Å; Y459-Y462 PolarHBondContact O-N 2.91Å; Y459-M463 WeakPolarHBondContact O-CB 3.46Å; Y459-M463 WeakPolarHBondContact O-CG 3.5Å; Y459-M463 PolarHBondContact O-N 3.12Å; Y459-T623 HydrophobicContact CD2-CG2 3.63Å; Y459-T623 HydrophobicContact CE2-CG2 3.38Å; Y459-T623 PolarHBondContact OH-O 3.03Å; Y459-W626 HydrophobicContact CD1-CB 4.06Å; Y459-W626 HydrophobicContact CD1-CE3 4.15Å; Y459-W626 HydrophobicContact CD2-CE3 4.07Å; Y459-W626 HydrophobicContact CD2-CZ3 4.44Å; Y459-W626 HydrophobicContact CE1-CB 4.13Å; Y459-W626 AromaticContact CG-CE3 3.77Å; Y459-W626 HydrophobicContact CG-CE3 3.77Å; Y459-W626 HydrophobicContact CG-CZ3 4.35Å; Y459-S627 WeakPolarHBondContact CE1-OG 3.41Å; Y459-S627 PolarHBondContact OH-OG 2.95Å; Y459-L630 HydrophobicContact CD1-CD1 3.88Å; Y459-L630 HydrophobicContact CE1-CD1 4.41Å
460	Y	96.6	Very high	95.4	Very high	96 Å²	96	35.6 Å²	35.6	38%	0.376	16%	0.163	S	C	.	.	H	α-helix	trans	-57.8	-47.9	171	173.5	-97.1	0	0	0	111.1	L456 Q457 Y462 M463 M464	L456-Y460 VanDerWaalsContact O-CB 3.27Å; L456-Y460 WeakPolarHBondContact O-CB 3.37Å; L456-Y460 PolarHBondContact O-N 3.28Å; Q457-Y460 PolarHBondContact O-N 2.93Å; Y460-Y462 VanDerWaalsContact C-N 3.33Å; Y460-Y462 PolarHBondContact O-N 2.91Å; Y460-M463 PolarHBondContact O-N 3.22Å; Y460-M464 HydrophobicContact CD1-CG 4.25Å; Y460-M464 HydrophobicContact CD2-CG 4.44Å; Y460-M464 HydrophobicContact CE1-CG 3.8Å; Y460-M464 HydrophobicContact CE2-CG 4Å; Y460-M464 HydrophobicContact CE2-SD 4.23Å; Y460-M464 WeakPolarHBondContact O-CG 3.49Å; Y460-M464 PolarHBondContact O-N 3.01Å
461	S	95.4	Very high	95.3	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-42.2	178.3	-56.6	0	0	0	0	111.7	Q457 G458 Y459 M464 K465	Q457-S461 WeakPolarHBondContact O-CB 3.37Å; Q457-S461 PolarHBondContact O-N 2.85Å; Q457-S461 PolarHBondContact O-OG 3.4Å; G458-S461 WeakPolarHBondContact O-CB 3.1Å; G458-S461 PolarHBondContact O-N 3.15Å; Y459-S461 VanDerWaalsContact C-N 3.32Å; Y459-S461 PolarHBondContact O-N 3.29Å; S461-M464 PolarHBondContact O-N 3.42Å; S461-K465 WeakPolarHBondContact O-CB 3.36Å; S461-K465 PolarHBondContact O-N 3.35Å
462	Y	95.6	Very high	95.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-41.9	177.3	-171.7	-167.3	0	0	0	112	L332 L398 G458 Y459 Y460 M464 K465 L466 L630 L631 Q634	L332-Y462 HydrophobicContact CD2-CD1 4.48Å; L398-Y462 HydrophobicContact CD1-CD1 4.48Å; L398-Y462 HydrophobicContact CD1-CD2 4.15Å; L398-Y462 HydrophobicContact CD1-CE2 4.4Å; L398-Y462 HydrophobicContact CD1-CG 4.23Å; L398-Y462 HydrophobicContact CD2-CD1 3.96Å; L398-Y462 HydrophobicContact CD2-CE1 4.23Å; L398-Y462 HydrophobicContact CD2-CG 4.39Å; G458-Y462 WeakPolarHBondContact O-CB 3.39Å; G458-Y462 PolarHBondContact O-N 3.27Å; Y459-Y462 PolarHBondContact O-N 2.91Å; Y460-Y462 VanDerWaalsContact C-N 3.33Å; Y460-Y462 PolarHBondContact O-N 2.91Å; Y462-M464 PolarHBondContact O-N 3.17Å; Y462-K465 PolarHBondContact O-N 3.31Å; Y462-L466 HydrophobicContact CD2-CD1 4.01Å; Y462-L466 HydrophobicContact CD2-CG 4.03Å; Y462-L466 HydrophobicContact CE2-CD1 3.56Å; Y462-L466 HydrophobicContact CE2-CD2 4.16Å; Y462-L466 HydrophobicContact CE2-CG 3.76Å; Y462-L466 PolarHBondContact O-N 2.99Å; Y462-L630 HydrophobicContact CD1-CB 4.05Å; Y462-L630 HydrophobicContact CD1-CD1 3.61Å; Y462-L630 HydrophobicContact CD1-CG 4.46Å; Y462-L630 HydrophobicContact CE1-CB 3.53Å; Y462-L630 HydrophobicContact CE1-CD1 3.98Å; Y462-L630 HydrophobicContact CE1-CG 4.4Å; Y462-L630 HydrophobicContact CE2-CB 4.43Å; Y462-L630 HydrophobicContact CG-CD1 4.12Å; Y462-L630 PolarHBondContact OH-O 2.96Å; Y462-L631 PolarHBondContact OH-N 2.97Å; Y462-Q634 PolarHBondContact OH-OE1 2.78Å
463	M	96.1	Very high	95	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.02	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-42.6	173.7	-69.5	169.4	-169.7	0	0	111.8	Y459 Y460 L466 R467 L536 L539 Q543 W626 L630	Y459-M463 WeakPolarHBondContact O-CB 3.46Å; Y459-M463 WeakPolarHBondContact O-CG 3.5Å; Y459-M463 PolarHBondContact O-N 3.12Å; Y460-M463 PolarHBondContact O-N 3.22Å; M463-L466 PolarHBondContact O-N 3.38Å; M463-R467 WeakPolarHBondContact O-CB 3.44Å; M463-R467 PolarHBondContact O-N 3.33Å; M463-L536 HydrophobicContact CB-CD2 4.27Å; M463-L536 HydrophobicContact CG-CD2 4.33Å; M463-L539 HydrophobicContact CE-CB 3.71Å; M463-L539 HydrophobicContact CE-CD1 4.4Å; M463-L539 HydrophobicContact SD-CB 4.01Å; M463-Q543 HydrophobicContact CE-CB 4.43Å; M463-Q543 HydrophobicContact SD-CB 4.38Å; M463-W626 HydrophobicContact CE-CB 4.32Å; M463-W626 HydrophobicContact CE-CD2 3.93Å; M463-W626 HydrophobicContact CE-CE3 4.04Å; M463-W626 HydrophobicContact CE-CG 4.08Å; M463-L630 HydrophobicContact CE-CD1 4.31Å; M463-L630 HydrophobicContact CG-CD1 4.04Å; M463-L630 HydrophobicContact CG-CD2 3.92Å
464	M	94.6	Very high	94.8	Very high	68 Å²	68	37.7 Å²	37.7	34%	0.335	18%	0.176	S	C	.	.	H	α-helix	trans	-66	-38.9	178.4	-71.2	-56.4	-62.6	0	0	112.3	Y460 S461 Y462 R467 H468	Y460-M464 HydrophobicContact CD1-CG 4.25Å; Y460-M464 HydrophobicContact CD2-CG 4.44Å; Y460-M464 HydrophobicContact CE1-CG 3.8Å; Y460-M464 HydrophobicContact CE2-CG 4Å; Y460-M464 HydrophobicContact CE2-SD 4.23Å; Y460-M464 WeakPolarHBondContact O-CG 3.49Å; Y460-M464 PolarHBondContact O-N 3.01Å; S461-M464 PolarHBondContact O-N 3.42Å; Y462-M464 PolarHBondContact O-N 3.17Å; M464-R467 WeakPolarHBondContact O-CB 3.44Å; M464-R467 PolarHBondContact O-N 2.57Å; M464-H468 PolarHBondContact O-N 3.42Å
465	K	93.4	Very high	94.5	Very high	31 Å²	31	42.9 Å²	42.9	14%	0.135	20%	0.2	C	C	.	.	H	α-helix	trans	-57.8	-54.3	171.5	173.9	179.9	174.9	170.7	0	111.2	D374 S461 Y462 R467 H468 E469	D374-K465 WeakPolarHBondContact OD1-CD 3.34Å; D374-K465 WeakPolarHBondContact OD1-CE 3.35Å; D374-K465 IonicContact OD1-NZ 3.45Å; D374-K465 PolarHBondContact OD1-NZ 3.16Å; D374-K465 WeakPolarHBondContact OD2-CE 3.46Å; D374-K465 IonicContact OD2-NZ 2.84Å; D374-K465 PolarHBondContact OD2-NZ 3.35Å; S461-K465 WeakPolarHBondContact O-CB 3.36Å; S461-K465 PolarHBondContact O-N 3.35Å; Y462-K465 PolarHBondContact O-N 3.31Å; K465-R467 VanDerWaalsContact C-N 3.26Å; K465-R467 PolarHBondContact O-N 3.22Å; K465-H468 WeakPolarHBondContact O-CA 3.48Å; K465-H468 WeakPolarHBondContact O-CB 3.42Å; K465-H468 PolarHBondContact O-N 2.96Å; K465-E469 WeakPolarHBondContact CE-OE1 3.43Å; K465-E469 PolarHBondContact O-N 3.02Å
466	L	94.6	Very high	94.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-31.3	-179.4	-70.4	177.3	0	0	0	112.8	Y462 M463 H468 E469 C470 L536 L630 M633 Q634 L637	Y462-L466 HydrophobicContact CD2-CD1 4.01Å; Y462-L466 HydrophobicContact CD2-CG 4.03Å; Y462-L466 HydrophobicContact CE2-CD1 3.56Å; Y462-L466 HydrophobicContact CE2-CD2 4.16Å; Y462-L466 HydrophobicContact CE2-CG 3.76Å; Y462-L466 PolarHBondContact O-N 2.99Å; M463-L466 PolarHBondContact O-N 3.38Å; L466-H468 VanDerWaalsContact C-N 3.34Å; L466-E469 WeakPolarHBondContact CD2-OE2 3.44Å; L466-E469 PolarHBondContact O-N 3.17Å; L466-C470 WeakPolarHBondContact O-CB 3.39Å; L466-C470 PolarHBondContact O-N 2.89Å; L466-C470 PolarHBondContact O-SG 2.53Å; L466-L536 HydrophobicContact CB-CD1 4.18Å; L466-L536 HydrophobicContact CB-CD2 4.26Å; L466-L630 HydrophobicContact CD1-CB 3.71Å; L466-L630 HydrophobicContact CD1-CD2 3.6Å; L466-L630 HydrophobicContact CD1-CG 4.2Å; L466-L630 WeakPolarHBondContact CD1-O 3.44Å; L466-M633 HydrophobicContact CD1-CB 4.32Å; L466-Q634 HydrophobicContact CD2-CB 3.86Å; L466-Q634 HydrophobicContact CD2-CG 4.1Å; L466-L637 HydrophobicContact CD2-CD1 4.12Å
467	R	95.3	Very high	94	Very high	95 Å²	95	43.9 Å²	43.9	36%	0.358	21%	0.207	S	C	.	.	H	α-helix	trans	-62	-43.2	172.1	-174.4	178.1	-175.6	156.4	5.9	111.3	M463 M464 K465 C470 T471 L536	M463-R467 WeakPolarHBondContact O-CB 3.44Å; M463-R467 PolarHBondContact O-N 3.33Å; M464-R467 WeakPolarHBondContact O-CB 3.44Å; M464-R467 PolarHBondContact O-N 2.57Å; K465-R467 VanDerWaalsContact C-N 3.26Å; K465-R467 PolarHBondContact O-N 3.22Å; R467-C470 PolarHBondContact O-N 3.15Å; R467-T471 PolarHBondContact O-N 3.39Å; R467-T471 VanDerWaalsContact O-N 3.08Å; R467-T471 PolarHBondContact O-OG1 3.21Å; R467-L536 HydrophobicContact CB-CD1 4.28Å
468	H	93.4	Very high	93.6	Very high	114 Å²	114	41.2 Å²	41.2	53%	0.528	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-48.3	175.1	-172.9	65.9	0	0	0	111.4	M464 K465 L466 C470 T471 E472	M464-H468 PolarHBondContact O-N 3.42Å; K465-H468 WeakPolarHBondContact O-CA 3.48Å; K465-H468 WeakPolarHBondContact O-CB 3.42Å; K465-H468 PolarHBondContact O-N 2.96Å; L466-H468 VanDerWaalsContact C-N 3.34Å; H468-C470 VanDerWaalsContact C-N 3.32Å; H468-C470 PolarHBondContact O-N 2.75Å; H468-T471 WeakPolarHBondContact O-CA 3.33Å; H468-T471 WeakPolarHBondContact O-CB 3.41Å; H468-T471 PolarHBondContact O-N 3.05Å; H468-E472 IonicContact CD2-OE2 2.66Å; H468-E472 IonicContact NE2-OE1 2.83Å; H468-E472 IonicContact NE2-OE2 2.88Å; H468-E472 PolarHBondContact O-N 2.88Å
469	E	93.4	Very high	93.3	Very high	42 Å²	42	45.5 Å²	45.5	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-39.5	176.9	-68.3	178.4	-164.7	0	0	112.4	K465 L466 T471 E472 A473 L637	K465-E469 WeakPolarHBondContact CE-OE1 3.43Å; K465-E469 PolarHBondContact O-N 3.02Å; L466-E469 WeakPolarHBondContact CD2-OE2 3.44Å; L466-E469 PolarHBondContact O-N 3.17Å; E469-T471 VanDerWaalsContact C-N 3.33Å; E469-T471 PolarHBondContact O-N 2.85Å; E469-E472 PolarHBondContact O-N 3.42Å; E469-A473 VanDerWaalsContact O-CB 3.3Å; E469-A473 WeakPolarHBondContact O-CB 3.28Å; E469-A473 PolarHBondContact O-N 2.98Å; E469-L637 HydrophobicContact CB-CD1 4.08Å
470	C	94.8	Very high	93	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-42.6	173.5	-72	0	0	0	0	111.8	L466 R467 H468 A473 M474 I529 Q533	L466-C470 WeakPolarHBondContact O-CB 3.39Å; L466-C470 PolarHBondContact O-N 2.89Å; L466-C470 PolarHBondContact O-SG 2.53Å; R467-C470 PolarHBondContact O-N 3.15Å; H468-C470 VanDerWaalsContact C-N 3.32Å; H468-C470 PolarHBondContact O-N 2.75Å; C470-A473 PolarHBondContact O-N 3.25Å; C470-M474 WeakPolarHBondContact O-CG 3.46Å; C470-M474 PolarHBondContact O-N 3.12Å; C470-I529 HydrophobicContact CB-CG2 3.82Å; C470-I529 WeakPolarHBondContact O-CG2 3.49Å; C470-Q533 HydrophobicContact CB-CG 3.89Å
471	T	93.6	Very high	92.6	Very high	51 Å²	51	43 Å²	43	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-42.3	177.5	-67.9	0	0	0	0	111.2	R467 H468 E469 M474 H475	R467-T471 PolarHBondContact O-N 3.39Å; R467-T471 VanDerWaalsContact O-N 3.08Å; R467-T471 PolarHBondContact O-OG1 3.21Å; H468-T471 WeakPolarHBondContact O-CA 3.33Å; H468-T471 WeakPolarHBondContact O-CB 3.41Å; H468-T471 PolarHBondContact O-N 3.05Å; E469-T471 VanDerWaalsContact C-N 3.33Å; E469-T471 PolarHBondContact O-N 2.85Å; T471-M474 PolarHBondContact O-N 3.16Å; T471-H475 VanDerWaalsContact CG2-CE1 3.45Å; T471-H475 WeakPolarHBondContact CG2-CE1 3.44Å; T471-H475 PolarHBondContact O-N 3.05Å; T471-H475 PolarHBondContact O-ND1 3.45Å
472	E	93	Very high	92.2	Very high	109 Å²	109	46.8 Å²	46.8	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-43.1	174.3	-69.3	-169.1	118.5	0	0	112.1	H468 E469 M474 H475 S476	H468-E472 IonicContact CD2-OE2 2.66Å; H468-E472 IonicContact NE2-OE1 2.83Å; H468-E472 IonicContact NE2-OE2 2.88Å; H468-E472 PolarHBondContact O-N 2.88Å; E469-E472 PolarHBondContact O-N 3.42Å; E472-M474 VanDerWaalsContact C-N 3.33Å; E472-M474 PolarHBondContact O-N 3.41Å; E472-H475 PolarHBondContact O-N 3.12Å; E472-S476 PolarHBondContact O-N 3.42Å
473	A	92.3	Very high	91.7	Very high	5 Å²	5	49 Å²	49	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-41.7	176.1	0	0	0	0	0	111.7	E469 C470 S476 I477 I529 L637 F640	E469-A473 VanDerWaalsContact O-CB 3.3Å; E469-A473 WeakPolarHBondContact O-CB 3.28Å; E469-A473 PolarHBondContact O-N 2.98Å; C470-A473 PolarHBondContact O-N 3.25Å; A473-S476 WeakPolarHBondContact O-CB 3.42Å; A473-S476 PolarHBondContact O-N 3.31Å; A473-I477 WeakPolarHBondContact O-CG1 3.49Å; A473-I477 PolarHBondContact O-N 3.01Å; A473-I529 HydrophobicContact CB-CD1 3.64Å; A473-I529 HydrophobicContact CB-CG1 4.5Å; A473-L637 HydrophobicContact CB-CD2 4.11Å; A473-F640 HydrophobicContact CB-CD1 3.77Å; A473-F640 HydrophobicContact CB-CE1 3.82Å
474	M	91.3	Very high	91.3	Very high	42 Å²	42	49 Å²	49	21%	0.207	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-41.8	173.7	-79.3	-64.1	-61.6	0	0	112.7	C470 T471 E472 I477 A478 S526 I529	C470-M474 WeakPolarHBondContact O-CG 3.46Å; C470-M474 PolarHBondContact O-N 3.12Å; T471-M474 PolarHBondContact O-N 3.16Å; E472-M474 VanDerWaalsContact C-N 3.33Å; E472-M474 PolarHBondContact O-N 3.41Å; M474-I477 PolarHBondContact O-N 2.92Å; M474-A478 PolarHBondContact O-N 3.41Å; M474-S526 WeakPolarHBondContact CE-OG 3.33Å; M474-I529 HydrophobicContact CG-CB 4.26Å; M474-I529 HydrophobicContact CG-CG2 3.61Å; M474-I529 HydrophobicContact SD-CB 4.05Å; M474-I529 HydrophobicContact SD-CD1 4.47Å; M474-I529 HydrophobicContact SD-CG2 4.07Å
475	H	91.1	Very high	90.9	Very high	117 Å²	117	49.4 Å²	49.4	54%	0.542	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-42.3	173.8	-72.5	107.4	0	0	0	111.6	T471 E472 I477 A478 I479	T471-H475 VanDerWaalsContact CG2-CE1 3.45Å; T471-H475 WeakPolarHBondContact CG2-CE1 3.44Å; T471-H475 PolarHBondContact O-N 3.05Å; T471-H475 PolarHBondContact O-ND1 3.45Å; E472-H475 PolarHBondContact O-N 3.12Å; H475-I477 PolarHBondContact O-N 3.2Å; H475-A478 WeakPolarHBondContact O-CB 3.24Å; H475-A478 PolarHBondContact O-N 3Å; H475-I479 WeakPolarHBondContact O-CG1 3.49Å; H475-I479 PolarHBondContact O-N 3.26Å
476	S	91.4	Very high	90.5	Very high	20 Å²	20	51 Å²	51	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-43.5	175.9	-178	0	0	0	0	111.8	E472 A473 A478 I479 I480 S644	E472-S476 PolarHBondContact O-N 3.42Å; A473-S476 WeakPolarHBondContact O-CB 3.42Å; A473-S476 PolarHBondContact O-N 3.31Å; S476-A478 VanDerWaalsContact C-N 3.33Å; S476-A478 PolarHBondContact O-N 2.97Å; S476-I479 PolarHBondContact O-N 3.03Å; S476-I480 WeakPolarHBondContact O-CB 3.43Å; S476-I480 VanDerWaalsContact O-CG1 3.27Å; S476-I480 WeakPolarHBondContact O-CG1 3.16Å; S476-I480 PolarHBondContact O-N 2.88Å; S476-S644 WeakPolarHBondContact OG-CB 3.43Å
477	I	89.4	Confident	90	Very high	8 Å²	8	51 Å²	51	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-58.1	-45.5	173.2	-70.9	-179.9	0	0	0	111.2	A473 M474 H475 I479 I480 T481 L522 I529 F640	A473-I477 WeakPolarHBondContact O-CG1 3.49Å; A473-I477 PolarHBondContact O-N 3.01Å; M474-I477 PolarHBondContact O-N 2.92Å; H475-I477 PolarHBondContact O-N 3.2Å; I477-I479 PolarHBondContact O-N 3.45Å; I477-I480 PolarHBondContact O-N 3.01Å; I477-T481 WeakPolarHBondContact O-CB 3.44Å; I477-T481 PolarHBondContact O-N 2.74Å; I477-T481 PolarHBondContact O-OG1 2.95Å; I477-L522 HydrophobicContact CG2-CD2 3.79Å; I477-L522 HydrophobicContact CG2-CG 4.21Å; I477-I529 HydrophobicContact CD1-CD1 3.47Å; I477-I529 VanDerWaalsContact CD1-CD1 3.47Å; I477-I529 HydrophobicContact CG1-CD1 4.47Å; I477-F640 HydrophobicContact CD1-CE1 4.41Å; I477-F640 HydrophobicContact CD1-CE2 4.11Å; I477-F640 HydrophobicContact CD1-CZ 3.77Å; I477-F640 HydrophobicContact CG1-CE1 4Å; I477-F640 HydrophobicContact CG1-CE2 3.97Å; I477-F640 HydrophobicContact CG1-CZ 3.27Å
478	A	89.1	Confident	89.3	Confident	42 Å²	42	48.2 Å²	48.2	35%	0.347	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-45.9	179.6	0	0	0	0	0	111.3	M474 H475 S476 I480 T481 I482	M474-A478 PolarHBondContact O-N 3.41Å; H475-A478 WeakPolarHBondContact O-CB 3.24Å; H475-A478 PolarHBondContact O-N 3Å; S476-A478 VanDerWaalsContact C-N 3.33Å; S476-A478 PolarHBondContact O-N 2.97Å; A478-I480 PolarHBondContact O-N 2.75Å; A478-T481 PolarHBondContact O-N 3.49Å; A478-I482 WeakPolarHBondContact O-CG1 3.31Å; A478-I482 PolarHBondContact O-N 3.24Å
479	I	89.5	Confident	88.8	Confident	92 Å²	92	44.8 Å²	44.8	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-48.4	176.6	-67.2	167.6	0	0	0	110.7	H475 S476 I477 T481 I482 R483 L648	H475-I479 WeakPolarHBondContact O-CG1 3.49Å; H475-I479 PolarHBondContact O-N 3.26Å; S476-I479 PolarHBondContact O-N 3.03Å; I477-I479 PolarHBondContact O-N 3.45Å; I479-T481 VanDerWaalsContact C-N 3.31Å; I479-T481 PolarHBondContact O-N 3.48Å; I479-I482 PolarHBondContact O-N 2.86Å; I479-R483 HydrophobicContact CG2-CG 4.4Å; I479-R483 WeakPolarHBondContact O-CG 3.39Å; I479-R483 PolarHBondContact O-N 3.12Å; I479-L648 HydrophobicContact CG2-CD2 4.17Å
480	I	88.6	Confident	88.1	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-43.5	178.7	-71.5	164.5	0	0	0	110.6	S476 I477 A478 I482 R483 L484 L522 L647 L648 L651	S476-I480 WeakPolarHBondContact O-CB 3.43Å; S476-I480 VanDerWaalsContact O-CG1 3.27Å; S476-I480 WeakPolarHBondContact O-CG1 3.16Å; S476-I480 PolarHBondContact O-N 2.88Å; I477-I480 PolarHBondContact O-N 3.01Å; A478-I480 PolarHBondContact O-N 2.75Å; I480-I482 PolarHBondContact O-N 2.87Å; I480-R483 PolarHBondContact O-N 2.99Å; I480-L484 WeakPolarHBondContact O-CB 3.47Å; I480-L484 PolarHBondContact O-N 2.85Å; I480-L522 HydrophobicContact CB-CD2 4.28Å; I480-L522 HydrophobicContact CG2-CD1 3.83Å; I480-L522 HydrophobicContact CG2-CD2 3.86Å; I480-L647 HydrophobicContact CD1-CD2 4.24Å; I480-L647 HydrophobicContact CG2-CD2 3.5Å; I480-L647 HydrophobicContact CG2-CG 4.24Å; I480-L648 HydrophobicContact CD1-CG 4.19Å; I480-L648 HydrophobicContact CG1-CD1 4.43Å; I480-L648 HydrophobicContact CG1-CD2 3.68Å; I480-L648 HydrophobicContact CG1-CG 3.81Å; I480-L651 HydrophobicContact CG2-CD1 4.23Å
481	T	88.5	Confident	87.3	Confident	46 Å²	46	45.7 Å²	45.7	28%	0.282	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-49.4	178.8	-53.4	0	0	0	0	110.9	I477 A478 I479 L484 Q485 L522	I477-T481 WeakPolarHBondContact O-CB 3.44Å; I477-T481 PolarHBondContact O-N 2.74Å; I477-T481 PolarHBondContact O-OG1 2.95Å; A478-T481 PolarHBondContact O-N 3.49Å; I479-T481 VanDerWaalsContact C-N 3.31Å; I479-T481 PolarHBondContact O-N 3.48Å; T481-L484 PolarHBondContact O-N 2.84Å; T481-Q485 WeakPolarHBondContact O-CB 3.48Å; T481-Q485 PolarHBondContact O-N 3.41Å; T481-L522 WeakPolarHBondContact OG1-CD2 3.46Å
482	I	86.6	Confident	86.5	Confident	94 Å²	94	48.2 Å²	48.2	48%	0.482	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-49.1	-179.3	-68.1	165.1	0	0	0	110.7	A478 I479 I480 L484 Q485 S486	A478-I482 WeakPolarHBondContact O-CG1 3.31Å; A478-I482 PolarHBondContact O-N 3.24Å; I479-I482 PolarHBondContact O-N 2.86Å; I480-I482 PolarHBondContact O-N 2.87Å; I482-L484 PolarHBondContact O-N 2.87Å; I482-Q485 PolarHBondContact O-N 3.37Å; I482-S486 PolarHBondContact O-N 2.8Å
483	R	86.8	Confident	85.7	Confident	49 Å²	49	50.7 Å²	50.7	19%	0.185	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-42.5	-179.8	-71.7	-168.3	70.5	179.4	8.7	112.1	I479 I480 S486 C487 L651 D652 E655	I479-R483 HydrophobicContact CG2-CG 4.4Å; I479-R483 WeakPolarHBondContact O-CG 3.39Å; I479-R483 PolarHBondContact O-N 3.12Å; I480-R483 PolarHBondContact O-N 2.99Å; R483-S486 WeakPolarHBondContact O-CB 3.48Å; R483-S486 PolarHBondContact O-N 3.21Å; R483-C487 VanDerWaalsContact O-CB 3.3Å; R483-C487 WeakPolarHBondContact O-CB 3.42Å; R483-C487 PolarHBondContact O-N 2.76Å; R483-L651 HydrophobicContact CB-CD1 4.16Å; R483-D652 IonicContact CZ-OD1 2.75Å; R483-D652 IonicContact NH1-OD1 3.02Å; R483-D652 PolarHBondContact NH1-OD1 3.05Å; R483-D652 IonicContact NH2-OD1 3.05Å; R483-D652 PolarHBondContact NH2-OD1 3.39Å; R483-E655 IonicContact CZ-OE1 2.53Å; R483-E655 IonicContact CZ-OE2 3.84Å; R483-E655 IonicContact NE-OE1 3.41Å; R483-E655 PolarHBondContact NE-OE1 2.86Å; R483-E655 IonicContact NE-OE2 3.15Å; R483-E655 IonicContact NH2-OE1 3.78Å; R483-E655 PolarHBondContact NH2-OE1 3.34Å; R483-E655 VanDerWaalsContact NH2-OE1 3.15Å; R483-E655 IonicContact NH2-OE2 3.76Å; R483-E655 PolarHBondContact NH2-OE2 3.26Å
484	L	86.3	Confident	84.8	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-68.3	-38.2	-179	-162.6	146.1	0	0	0	111.1	I480 T481 I482 C487 L488 L515 V518 H519 L651	I480-L484 WeakPolarHBondContact O-CB 3.47Å; I480-L484 PolarHBondContact O-N 2.85Å; T481-L484 PolarHBondContact O-N 2.84Å; I482-L484 PolarHBondContact O-N 2.87Å; L484-C487 PolarHBondContact O-N 2.7Å; L484-L488 HydrophobicContact CD2-CD1 3.58Å; L484-L488 HydrophobicContact CD2-CG 4.13Å; L484-L488 WeakPolarHBondContact O-CB 3.41Å; L484-L488 VanDerWaalsContact O-CG 3.29Å; L484-L488 WeakPolarHBondContact O-CG 3.48Å; L484-L488 PolarHBondContact O-N 2.74Å; L484-L515 HydrophobicContact CD1-CD2 4.05Å; L484-L515 HydrophobicContact CG-CD2 4.43Å; L484-V518 HydrophobicContact CD1-CB 4.26Å; L484-V518 HydrophobicContact CD1-CG1 3.82Å; L484-H519 HydrophobicContact CD2-CB 3.53Å; L484-L651 HydrophobicContact CB-CD1 4.36Å; L484-L651 HydrophobicContact CB-CD2 4.15Å; L484-L651 HydrophobicContact CD1-CD2 4.23Å; L484-L651 HydrophobicContact CG-CD2 4.15Å
485	Q	85.9	Confident	83.9	Confident	78 Å²	78	54.6 Å²	54.6	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-63	-44.4	172.4	-170.8	171.1	-8.3	0	0	111.8	T481 I482 C487 L488 S489	T481-Q485 WeakPolarHBondContact O-CB 3.48Å; T481-Q485 PolarHBondContact O-N 3.41Å; I482-Q485 PolarHBondContact O-N 3.37Å; Q485-C487 PolarHBondContact O-N 2.92Å; Q485-L488 PolarHBondContact O-N 3.09Å; Q485-S489 WeakPolarHBondContact O-CB 3.29Å; Q485-S489 PolarHBondContact O-N 2.53Å; Q485-S489 PolarHBondContact O-OG 2.83Å
486	S	85.6	Confident	82.9	Confident	63 Å²	63	54 Å²	54	44%	0.441	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-46	173.8	-179.2	0	0	0	0	112.4	I482 R483 L488 S489 T490	I482-S486 PolarHBondContact O-N 2.8Å; R483-S486 WeakPolarHBondContact O-CB 3.48Å; R483-S486 PolarHBondContact O-N 3.21Å; S486-L488 PolarHBondContact O-N 2.77Å; S486-S489 PolarHBondContact O-N 3.35Å; S486-T490 WeakPolarHBondContact O-CB 3.48Å; S486-T490 PolarHBondContact O-N 2.94Å; S486-T490 PolarHBondContact O-OG1 3.46Å
487	C	83.6	Confident	81.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-41.9	178.6	-173.7	0	0	0	0	111.8	R483 L484 Q485 Q491 L651 S654 Q658	R483-C487 VanDerWaalsContact O-CB 3.3Å; R483-C487 WeakPolarHBondContact O-CB 3.42Å; R483-C487 PolarHBondContact O-N 2.76Å; L484-C487 PolarHBondContact O-N 2.7Å; Q485-C487 PolarHBondContact O-N 2.92Å; C487-Q491 WeakPolarHBondContact O-CB 3.37Å; C487-Q491 PolarHBondContact O-N 3.32Å; C487-L651 HydrophobicContact CB-CD2 4.4Å; C487-S654 PolarHBondContact SG-OG 2.9Å; C487-Q658 PolarHBondContact O-NE2 2.81Å; C487-Q658 PolarHBondContact O-OE1 3.33Å; C487-Q658 VanDerWaalsContact SG-CD 3.6Å; C487-Q658 PolarHBondContact SG-NE2 2.87Å; C487-Q658 PolarHBondContact SG-OE1 2.99Å
488	L	82	Confident	80.5	Confident	36 Å²	36	58.2 Å²	58.2	19%	0.188	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-42.8	175.6	-72.2	173.6	0	0	0	112.1	L484 Q485 S486 Q491 H492 L515 Q516	L484-L488 HydrophobicContact CD2-CD1 3.58Å; L484-L488 HydrophobicContact CD2-CG 4.13Å; L484-L488 WeakPolarHBondContact O-CB 3.41Å; L484-L488 VanDerWaalsContact O-CG 3.29Å; L484-L488 WeakPolarHBondContact O-CG 3.48Å; L484-L488 PolarHBondContact O-N 2.74Å; Q485-L488 PolarHBondContact O-N 3.09Å; S486-L488 PolarHBondContact O-N 2.77Å; L488-Q491 PolarHBondContact O-N 2.85Å; L488-H492 WeakPolarHBondContact O-CB 3.41Å; L488-H492 PolarHBondContact O-N 3.27Å; L488-L515 HydrophobicContact CD2-CB 4.47Å; L488-Q516 HydrophobicContact CD2-CG 4.01Å
489	S	82.4	Confident	79	Confident	42 Å²	42	61.8 Å²	61.8	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-44.8	175.6	-70.4	0	0	0	0	111.8	Q485 S486 H492 R493	Q485-S489 WeakPolarHBondContact O-CB 3.29Å; Q485-S489 PolarHBondContact O-N 2.53Å; Q485-S489 PolarHBondContact O-OG 2.83Å; S486-S489 PolarHBondContact O-N 3.35Å; S489-H492 PolarHBondContact O-N 3.45Å; S489-R493 WeakPolarHBondContact O-CG 3.28Å; S489-R493 PolarHBondContact O-N 3.03Å
490	T	79.1	Confident	77.2	Confident	26 Å²	26	67.1 Å²	67.1	16%	0.16	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-43.3	177.6	-57.5	0	0	0	0	110.9	S486 H492 R493 I494 Q658 M662	S486-T490 WeakPolarHBondContact O-CB 3.48Å; S486-T490 PolarHBondContact O-N 2.94Å; S486-T490 PolarHBondContact O-OG1 3.46Å; T490-H492 PolarHBondContact O-N 2.87Å; T490-R493 WeakPolarHBondContact O-CB 3.41Å; T490-R493 PolarHBondContact O-N 3.25Å; T490-I494 HydrophobicContact CG2-CD1 4.13Å; T490-I494 WeakPolarHBondContact O-CG1 3.33Å; T490-I494 PolarHBondContact O-N 3.47Å; T490-Q658 HydrophobicContact CG2-CB 4.21Å; T490-M662 HydrophobicContact CG2-CE 3.37Å
491	Q	76.4	Confident	75.3	Confident	35 Å²	35	69.2 Å²	69.2	16%	0.164	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-42.6	175.2	-158	179.7	-47.3	0	0	112.2	C487 L488 R493 I494 H495 S512	C487-Q491 WeakPolarHBondContact O-CB 3.37Å; C487-Q491 PolarHBondContact O-N 3.32Å; L488-Q491 PolarHBondContact O-N 2.85Å; Q491-R493 VanDerWaalsContact C-N 3.31Å; Q491-R493 PolarHBondContact O-N 2.87Å; Q491-I494 PolarHBondContact O-N 3.36Å; Q491-H495 WeakPolarHBondContact O-CB 3.31Å; Q491-H495 PolarHBondContact O-N 2.8Å; Q491-S512 PolarHBondContact NE2-OG 3.38Å
492	H	76.9	Confident	73.1	Confident	105 Å²	105	70.7 Å²	70.7	49%	0.486	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-39.3	176.7	-172.4	70.4	0	0	0	111.6	L488 S489 T490 H495 K496	L488-H492 WeakPolarHBondContact O-CB 3.41Å; L488-H492 PolarHBondContact O-N 3.27Å; S489-H492 PolarHBondContact O-N 3.45Å; T490-H492 PolarHBondContact O-N 2.87Å; H492-H495 PolarHBondContact O-N 3.48Å; H492-K496 WeakPolarHBondContact NE2-CE 3.44Å; H492-K496 PolarHBondContact NE2-NZ 3.43Å; H492-K496 PolarHBondContact O-N 2.9Å
493	R	76.5	Confident	71.1	Confident	160 Å²	160	75.3 Å²	75.3	60%	0.604	38%	0.382	S	S	*	.	H	α-helix	trans	-63.5	-47.3	173.2	-72.9	174.3	66	172.1	0.4	112.1	S489 T490 Q491 H495 K496 L497	S489-R493 WeakPolarHBondContact O-CG 3.28Å; S489-R493 PolarHBondContact O-N 3.03Å; T490-R493 WeakPolarHBondContact O-CB 3.41Å; T490-R493 PolarHBondContact O-N 3.25Å; Q491-R493 VanDerWaalsContact C-N 3.31Å; Q491-R493 PolarHBondContact O-N 2.87Å; R493-H495 VanDerWaalsContact C-N 3.32Å; R493-H495 PolarHBondContact O-N 3.06Å; R493-K496 PolarHBondContact O-N 3.09Å; R493-L497 WeakPolarHBondContact O-CB 3.42Å; R493-L497 VanDerWaalsContact O-CG 3.32Å; R493-L497 WeakPolarHBondContact O-CG 3.47Å; R493-L497 PolarHBondContact O-N 2.95Å
494	I	73.4	Confident	68.9	Low	24 Å²	24	80.3 Å²	80.3	12%	0.123	41%	0.412	C	S	.	.	H	α-helix	trans	-59.4	-44.2	176.5	-70.2	168.8	0	0	0	110.4	T490 Q491 L497 A498 Q658 A661 M662 I665	T490-I494 HydrophobicContact CG2-CD1 4.13Å; T490-I494 WeakPolarHBondContact O-CG1 3.33Å; T490-I494 PolarHBondContact O-N 3.47Å; Q491-I494 PolarHBondContact O-N 3.36Å; I494-L497 PolarHBondContact O-N 3.46Å; I494-A498 WeakPolarHBondContact O-CB 3.29Å; I494-A498 PolarHBondContact O-N 2.87Å; I494-Q658 HydrophobicContact CD1-CB 3.8Å; I494-Q658 HydrophobicContact CD1-CG 4.14Å; I494-Q658 WeakPolarHBondContact CD1-O 3.5Å; I494-A661 HydrophobicContact CD1-CB 4.43Å; I494-M662 HydrophobicContact CD1-CB 4.48Å; I494-M662 HydrophobicContact CD1-CE 3.97Å; I494-M662 HydrophobicContact CG1-CE 3.79Å; I494-I665 HydrophobicContact CG2-CD1 3.82Å
495	H	72.5	Confident	66.5	Low	106 Å²	106	89.5 Å²	89.5	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-64.9	-44.4	179.2	-168	68.4	0	0	0	112.1	Q491 H492 R493 L497 A498 L499	Q491-H495 WeakPolarHBondContact O-CB 3.31Å; Q491-H495 PolarHBondContact O-N 2.8Å; H492-H495 PolarHBondContact O-N 3.48Å; R493-H495 VanDerWaalsContact C-N 3.32Å; R493-H495 PolarHBondContact O-N 3.06Å; H495-L497 PolarHBondContact O-N 3.27Å; H495-A498 PolarHBondContact O-N 2.88Å; H495-L499 VanDerWaalsContact O-CG 3.3Å; H495-L499 WeakPolarHBondContact O-CG 3.35Å; H495-L499 PolarHBondContact O-N 2.9Å
496	K	70.3	Confident	64.4	Low	105 Å²	105	89.8 Å²	89.8	46%	0.457	48%	0.479	S	S	.	.	H	α-helix	trans	-58.4	-47.5	172.8	-86.5	-178.2	170.1	169.7	0	111.7	H492 R493 L499 Y500	H492-K496 WeakPolarHBondContact NE2-CE 3.44Å; H492-K496 PolarHBondContact NE2-NZ 3.43Å; H492-K496 PolarHBondContact O-N 2.9Å; R493-K496 PolarHBondContact O-N 3.09Å; K496-L499 PolarHBondContact O-N 3.41Å; K496-Y500 WeakPolarHBondContact O-CD2 3.41Å; K496-Y500 PolarHBondContact O-N 3.33Å
497	L	67.4	Low	62.3	Low	75 Å²	75	92.4 Å²	92.4	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-66.6	-37.1	179.9	-72	166.4	0	0	0	112.7	R493 I494 H495 Y500 A501 I665	R493-L497 WeakPolarHBondContact O-CB 3.42Å; R493-L497 VanDerWaalsContact O-CG 3.32Å; R493-L497 WeakPolarHBondContact O-CG 3.47Å; R493-L497 PolarHBondContact O-N 2.95Å; I494-L497 PolarHBondContact O-N 3.46Å; H495-L497 PolarHBondContact O-N 3.27Å; L497-Y500 PolarHBondContact O-N 3.29Å; L497-A501 PolarHBondContact O-N 2.89Å; L497-I665 HydrophobicContact CB-CG2 4.28Å
498	A	63.7	Low	60.6	Low	40 Å²	40	97.2 Å²	97.2	33%	0.331	53%	0.526	S	S	.	.	H	α-helix	trans	-69.9	-35.6	177.9	0	0	0	0	0	112.7	I494 H495 Y500 A501 A502 I665	I494-A498 WeakPolarHBondContact O-CB 3.29Å; I494-A498 PolarHBondContact O-N 2.87Å; H495-A498 PolarHBondContact O-N 2.88Å; A498-Y500 PolarHBondContact O-N 3.31Å; A498-A501 PolarHBondContact O-N 2.82Å; A498-A502 PolarHBondContact O-N 3.26Å; A498-I665 HydrophobicContact CB-CD1 4.46Å
499	L	56.8	Low	59.2	Low	118 Å²	118	100 Å²	100	62%	0.618	54%	0.541	S	S	*	.	H	α-helix	trans	-62.2	-26.5	172.8	-76	166.1	0	0	0	112.8	H495 K496	H495-L499 VanDerWaalsContact O-CG 3.3Å; H495-L499 WeakPolarHBondContact O-CG 3.35Å; H495-L499 PolarHBondContact O-N 2.9Å; K496-L499 PolarHBondContact O-N 3.41Å
500	Y	51.5	Low	57.7	Low	203 Å²	203	104.7 Å²	104.7	80%	0.796	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-15.1	171.9	-74	-71.6	0	0	0	113.6	K496 L497 A498	K496-Y500 WeakPolarHBondContact O-CD2 3.41Å; K496-Y500 PolarHBondContact O-N 3.33Å; L497-Y500 PolarHBondContact O-N 3.29Å; A498-Y500 PolarHBondContact O-N 3.31Å
501	A	49.1	Very low	56.6	Low	46 Å²	46	106.9 Å²	106.9	38%	0.38	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.6	-28.8	-168.3	0	0	0	0	0	115.3	L497 A498	L497-A501 PolarHBondContact O-N 2.89Å; A498-A501 PolarHBondContact O-N 2.82Å
502	A	42.8	Very low	55.8	Low	77 Å²	77	106 Å²	106	64%	0.636	58%	0.577	S	S	*	*			trans	-166.6	139.3	171.5	0	0	0	0	0	113.7	A498	A498-A502 PolarHBondContact O-N 3.26Å
503	E	43.1	Very low	55.2	Low	190 Å²	190	105.4 Å²	105.4	89%	0.888	57%	0.574	S	S	*	*	S	Bend	trans	-67.7	137.8	160.9	-71	180	156	0	0	110.6
504	N	40.9	Very low	54.9	Low	154 Å²	154	103.8 Å²	103.8	82%	0.824	57%	0.572	S	S	*	*			trans	66.3	106.5	172.6	-70.5	-28.1	0	0	0	118.6
505	Q	37.5	Very low	54.8	Low	196 Å²	196	103.4 Å²	103.4	92%	0.916	57%	0.57	S	S	*	*				-172.8	127	110.2	-100.3	174.7	26.8	0	0	111
506	G	41.4	Very low	54.7	Low	83 Å²	83	102.9 Å²	102.9	86%	0.856	57%	0.568	S	S	*	*			trans	-77.9	125.6	178.7	0	0	0	0	0	112.4
507	S	41.6	Very low	55	Low	118 Å²	118	102.3 Å²	102.3	83%	0.825	57%	0.569	S	S	*	*			trans	-176.2	46.6	153.4	175.9	0	0	0	0	110
508	V	47.7	Very low	55.4	Low	103 Å²	103	99.9 Å²	99.9	62%	0.624	56%	0.557	S	S	*	*			trans	-129	92.4	175.4	-174.6	0	0	0	0	107.3
509	D	51.6	Low	56	Low	95 Å²	95	101.6 Å²	101.6	51%	0.508	56%	0.558	S	S	.	*			trans	-155.2	-32.6	170	-132.5	-17.9	0	0	0	115.9	S511 Q513	D509-S511 PolarHBondContact O-N 3.49Å; D509-Q513 VanDerWaalsContact CG-NE2 3.25Å; D509-Q513 WeakPolarHBondContact O-CG 3.46Å; D509-Q513 PolarHBondContact O-N 2.96Å; D509-Q513 PolarHBondContact OD1-NE2 3.15Å; D509-Q513 PolarHBondContact OD2-NE2 3.33Å
510	N	52.3	Low	57.1	Low	140 Å²	140	102.3 Å²	102.3	75%	0.749	56%	0.559	S	S	*	*	H	α-helix	trans	-71.4	-36.6	-172.8	-80.5	-2.5	0	0	0	115.1	K514	N510-K514 PolarHBondContact O-N 3.24Å
511	S	54.5	Low	58.5	Low	72 Å²	72	96.9 Å²	96.9	50%	0.503	54%	0.541	S	S	.	.	H	α-helix	trans	-74.3	-35.6	179.4	53.3	0	0	0	0	112.5	D509 K514 L515	D509-S511 PolarHBondContact O-N 3.49Å; S511-K514 PolarHBondContact O-N 2.94Å; S511-L515 WeakPolarHBondContact O-CG 3.42Å; S511-L515 PolarHBondContact O-N 2.95Å; S511-L515 VanDerWaalsContact O-N 3.09Å
512	S	60.9	Low	60.1	Low	17 Å²	17	95.2 Å²	95.2	12%	0.119	53%	0.525	C	S	.	.	H	α-helix	trans	-64.8	-46	178.2	-167.7	0	0	0	0	112.1	Q491 L515 Q516	Q491-S512 PolarHBondContact NE2-OG 3.38Å; S512-L515 PolarHBondContact O-N 3.15Å; S512-Q516 WeakPolarHBondContact O-CG 3.36Å; S512-Q516 PolarHBondContact O-N 3.41Å
513	Q	64.3	Low	62.2	Low	91 Å²	91	95.4 Å²	95.4	43%	0.425	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-39.7	178.9	-70.1	176.6	8.2	0	0	111.3	D509 Q516 L517	D509-Q513 VanDerWaalsContact CG-NE2 3.25Å; D509-Q513 WeakPolarHBondContact O-CG 3.46Å; D509-Q513 PolarHBondContact O-N 2.96Å; D509-Q513 PolarHBondContact OD1-NE2 3.15Å; D509-Q513 PolarHBondContact OD2-NE2 3.33Å; Q513-Q516 PolarHBondContact O-N 3.47Å; Q513-L517 WeakPolarHBondContact O-CB 3.34Å; Q513-L517 WeakPolarHBondContact O-CD1 3.36Å; Q513-L517 WeakPolarHBondContact O-CG 3.35Å; Q513-L517 PolarHBondContact O-N 3.28Å
514	K	69.1	Low	64.3	Low	126 Å²	126	91.7 Å²	91.7	55%	0.548	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-44.3	176.7	-163.3	-175.2	178.6	-156.9	0	111.9	N510 S511 L517 V518 D650	N510-K514 PolarHBondContact O-N 3.24Å; S511-K514 PolarHBondContact O-N 2.94Å; K514-L517 PolarHBondContact O-N 3.02Å; K514-V518 VanDerWaalsContact O-CG2 3.3Å; K514-V518 WeakPolarHBondContact O-CG2 3.35Å; K514-V518 PolarHBondContact O-N 3.45Å; K514-D650 IonicContact NZ-OD2 3.54Å; K514-D650 PolarHBondContact NZ-OD2 3.36Å
515	L	71.2	Confident	66.4	Low	16 Å²	16	89.1 Å²	89.1	8%	0.084	48%	0.484	C	S	.	.	H	α-helix	trans	-67.3	-37.5	177.4	-71.8	170.1	0	0	0	112.6	L484 L488 S511 S512 V518 H519 L651	L484-L515 HydrophobicContact CD1-CD2 4.05Å; L484-L515 HydrophobicContact CG-CD2 4.43Å; L488-L515 HydrophobicContact CD2-CB 4.47Å; S511-L515 WeakPolarHBondContact O-CG 3.42Å; S511-L515 PolarHBondContact O-N 2.95Å; S511-L515 VanDerWaalsContact O-N 3.09Å; S512-L515 PolarHBondContact O-N 3.15Å; L515-V518 PolarHBondContact O-N 2.83Å; L515-H519 PolarHBondContact O-N 2.88Å; L515-L651 HydrophobicContact CD2-CD2 3.76Å
516	Q	71.8	Confident	68.8	Low	95 Å²	95	80.6 Å²	80.6	44%	0.444	45%	0.446	S	S	.	.	H	α-helix	trans	-67	-39.7	174.6	-77.8	175.9	-19.4	0	0	112.8	L488 S512 Q513 H519 Q520	L488-Q516 HydrophobicContact CD2-CG 4.01Å; S512-Q516 WeakPolarHBondContact O-CG 3.36Å; S512-Q516 PolarHBondContact O-N 3.41Å; Q513-Q516 PolarHBondContact O-N 3.47Å; Q516-H519 WeakPolarHBondContact O-CB 3.34Å; Q516-H519 PolarHBondContact O-N 2.87Å; Q516-Q520 WeakPolarHBondContact O-CG 3.4Å; Q516-Q520 PolarHBondContact O-N 3.48Å; Q516-Q520 VanDerWaalsContact O-N 3.11Å
517	L	75	Confident	71.2	Confident	93 Å²	93	79.4 Å²	79.4	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-45.1	173.2	-80.9	157.7	0	0	0	111	Q513 K514 H519 Q520 H521	Q513-L517 WeakPolarHBondContact O-CB 3.34Å; Q513-L517 WeakPolarHBondContact O-CD1 3.36Å; Q513-L517 WeakPolarHBondContact O-CG 3.35Å; Q513-L517 PolarHBondContact O-N 3.28Å; K514-L517 PolarHBondContact O-N 3.02Å; L517-H519 VanDerWaalsContact C-N 3.34Å; L517-H519 PolarHBondContact O-N 2.84Å; L517-Q520 PolarHBondContact O-N 2.95Å; L517-Q520 VanDerWaalsContact O-N 3.15Å; L517-H521 PolarHBondContact O-CD2 2.94Å; L517-H521 PolarHBondContact O-N 3.38Å; L517-H521 VanDerWaalsContact O-N 3.1Å
518	V	76	Confident	73.6	Confident	24 Å²	24	74.4 Å²	74.4	15%	0.145	40%	0.396	C	S	.	.	H	α-helix	trans	-61.6	-41.9	176.6	171.3	0	0	0	0	111.7	L484 K514 L515 Q520 H521 L522 L647	L484-V518 HydrophobicContact CD1-CB 4.26Å; L484-V518 HydrophobicContact CD1-CG1 3.82Å; K514-V518 VanDerWaalsContact O-CG2 3.3Å; K514-V518 WeakPolarHBondContact O-CG2 3.35Å; K514-V518 PolarHBondContact O-N 3.45Å; L515-V518 PolarHBondContact O-N 2.83Å; V518-Q520 VanDerWaalsContact C-N 3.28Å; V518-Q520 PolarHBondContact O-N 3.43Å; V518-H521 PolarHBondContact O-N 2.77Å; V518-L522 HydrophobicContact CG1-CD1 3.97Å; V518-L522 PolarHBondContact O-N 3.06Å; V518-L647 HydrophobicContact CG1-CD1 3.89Å; V518-L647 HydrophobicContact CG1-CD2 3.41Å; V518-L647 VanDerWaalsContact CG1-CD2 3.41Å; V518-L647 HydrophobicContact CG1-CG 4.31Å; V518-L647 HydrophobicContact CG2-CD1 4.38Å
519	H	77.3	Confident	75.7	Confident	76 Å²	76	69.9 Å²	69.9	35%	0.352	37%	0.368	S	S	.	.	H	α-helix	trans	-57	-40.6	174.1	-172.1	-93.8	0	0	0	112.5	L484 L515 Q516 L517 P523	L484-H519 HydrophobicContact CD2-CB 3.53Å; L515-H519 PolarHBondContact O-N 2.88Å; Q516-H519 WeakPolarHBondContact O-CB 3.34Å; Q516-H519 PolarHBondContact O-N 2.87Å; L517-H519 VanDerWaalsContact C-N 3.34Å; L517-H519 PolarHBondContact O-N 2.84Å; H519-P523 WeakPolarHBondContact O-CD 3.36Å
520	Q	78.9	Confident	77.7	Confident	133 Å²	133	72.5 Å²	72.5	62%	0.621	37%	0.371	S	S	*	.	H	α-helix	trans	-71.1	-31.5	179.8	-71	177.6	9.7	0	0	113	Q516 L517 V518	Q516-Q520 WeakPolarHBondContact O-CG 3.4Å; Q516-Q520 PolarHBondContact O-N 3.48Å; Q516-Q520 VanDerWaalsContact O-N 3.11Å; L517-Q520 PolarHBondContact O-N 2.95Å; L517-Q520 VanDerWaalsContact O-N 3.15Å; V518-Q520 VanDerWaalsContact C-N 3.28Å; V518-Q520 PolarHBondContact O-N 3.43Å
521	H	81.3	Confident	79.7	Confident	90 Å²	90	70.9 Å²	70.9	42%	0.417	36%	0.359	S	S	.	.	H	α-helix	trans	-88.7	-20	-178.2	-70.7	-65.1	0	0	0	114.1	L517 V518 P523 I524 Y525	L517-H521 PolarHBondContact O-CD2 2.94Å; L517-H521 PolarHBondContact O-N 3.38Å; L517-H521 VanDerWaalsContact O-N 3.1Å; V518-H521 PolarHBondContact O-N 2.77Å; H521-P523 VanDerWaalsContact C-CD 3.5Å; H521-I524 WeakPolarHBondContact O-CB 3.35Å; H521-I524 PolarHBondContact O-N 3.24Å; H521-Y525 HydrophobicContact CB-CE2 4.43Å; H521-Y525 WeakPolarHBondContact O-CD2 3.28Å
522	L	83.4	Confident	81.6	Confident	10 Å²	10	68 Å²	68	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-55.2	-41.2	-179.7	-131.2	85.1	0	0	0	114.9	I477 I480 T481 V518 I524 Y525 S526 L647	I477-L522 HydrophobicContact CG2-CD2 3.79Å; I477-L522 HydrophobicContact CG2-CG 4.21Å; I480-L522 HydrophobicContact CB-CD2 4.28Å; I480-L522 HydrophobicContact CG2-CD1 3.83Å; I480-L522 HydrophobicContact CG2-CD2 3.86Å; T481-L522 WeakPolarHBondContact OG1-CD2 3.46Å; V518-L522 HydrophobicContact CG1-CD1 3.97Å; V518-L522 PolarHBondContact O-N 3.06Å; L522-I524 PolarHBondContact O-N 3.13Å; L522-Y525 PolarHBondContact O-N 3.43Å; L522-Y525 VanDerWaalsContact O-N 3.17Å; L522-S526 PolarHBondContact O-N 3.49Å; L522-S526 VanDerWaalsContact O-N 3.09Å; L522-L647 HydrophobicContact CD1-CD2 4.26Å
523	P	86.8	Confident	83.3	Confident	81 Å²	81	69.6 Å²	69.6	53%	0.526	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-30.2	176	-26.4	36	0	0	0	114	H519 H521 S526 A527	H519-P523 WeakPolarHBondContact O-CD 3.36Å; H521-P523 VanDerWaalsContact C-CD 3.5Å; P523-S526 PolarHBondContact O-N 3.19Å; P523-A527 WeakPolarHBondContact O-CB 3.29Å; P523-A527 PolarHBondContact O-N 3.01Å
524	I	86.6	Confident	84.7	Confident	112 Å²	112	69.7 Å²	69.7	57%	0.574	35%	0.349	S	S	*	.	H	α-helix	trans	-66.4	-42.3	177.4	-57.8	172.6	0	0	0	109.8	H521 L522 A527 G528	H521-I524 WeakPolarHBondContact O-CB 3.35Å; H521-I524 PolarHBondContact O-N 3.24Å; L522-I524 PolarHBondContact O-N 3.13Å; I524-A527 PolarHBondContact O-N 3.49Å; I524-G528 PolarHBondContact O-N 3.49Å
525	Y	85.7	Confident	86	Confident	100 Å²	100	67.1 Å²	67.1	39%	0.392	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-42.3	174.6	-68.3	-76.9	0	0	0	111.7	H521 L522 A527 G528 I529 F640 F643	H521-Y525 HydrophobicContact CB-CE2 4.43Å; H521-Y525 WeakPolarHBondContact O-CD2 3.28Å; L522-Y525 PolarHBondContact O-N 3.43Å; L522-Y525 VanDerWaalsContact O-N 3.17Å; Y525-A527 PolarHBondContact O-N 2.93Å; Y525-G528 PolarHBondContact O-N 3.48Å; Y525-I529 WeakPolarHBondContact O-CG1 3.26Å; Y525-I529 PolarHBondContact O-N 3.23Å; Y525-F640 AromaticContact CD1-CD2 3.72Å; Y525-F640 HydrophobicContact CD1-CD2 3.72Å; Y525-F640 HydrophobicContact CD1-CE2 4.14Å; Y525-F640 HydrophobicContact CE1-CD2 4.28Å; Y525-F640 HydrophobicContact CG-CD2 4.12Å; Y525-F640 HydrophobicContact CG-CE2 4.06Å; Y525-F643 HydrophobicContact CE2-CE1 4.43Å
526	S	88.3	Confident	87.2	Confident	17 Å²	17	66.7 Å²	66.7	12%	0.119	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-43.3	176.3	-171.8	0	0	0	0	112.1	M474 L522 P523 I529 R530	M474-S526 WeakPolarHBondContact CE-OG 3.33Å; L522-S526 PolarHBondContact O-N 3.49Å; L522-S526 VanDerWaalsContact O-N 3.09Å; P523-S526 PolarHBondContact O-N 3.19Å; S526-I529 PolarHBondContact O-N 3.04Å; S526-R530 WeakPolarHBondContact O-CG 3.31Å; S526-R530 PolarHBondContact O-N 3.46Å
527	A	90.7	Very high	88.3	Confident	59 Å²	59	66.7 Å²	66.7	49%	0.488	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-43.1	175.4	0	0	0	0	0	111.7	P523 I524 Y525 I529 R530 E531	P523-A527 WeakPolarHBondContact O-CB 3.29Å; P523-A527 PolarHBondContact O-N 3.01Å; I524-A527 PolarHBondContact O-N 3.49Å; Y525-A527 PolarHBondContact O-N 2.93Å; A527-I529 PolarHBondContact O-N 3.2Å; A527-R530 PolarHBondContact O-N 3.27Å; A527-E531 PolarHBondContact O-N 2.82Å
528	G	91.9	Very high	89.3	Confident	13 Å²	13	67.5 Å²	67.5	13%	0.134	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-41.1	176.5	0	0	0	0	0	113.5	I524 Y525 E531 F532	I524-G528 PolarHBondContact O-N 3.49Å; Y525-G528 PolarHBondContact O-N 3.48Å; G528-E531 WeakPolarHBondContact O-CB 3.5Å; G528-E531 PolarHBondContact O-N 3.37Å; G528-F532 WeakPolarHBondContact O-CG 3.43Å; G528-F532 PolarHBondContact O-N 2.92Å; G528-F532 VanDerWaalsContact O-N 3.07Å
529	I	92.1	Very high	90.2	Very high	7 Å²	7	66.9 Å²	66.9	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-69.9	-36.6	177.2	-63.2	162	0	0	0	111.4	C470 A473 M474 I477 Y525 S526 A527 E531 F532 Q533 L637 F640	C470-I529 HydrophobicContact CB-CG2 3.82Å; C470-I529 WeakPolarHBondContact O-CG2 3.49Å; A473-I529 HydrophobicContact CB-CD1 3.64Å; A473-I529 HydrophobicContact CB-CG1 4.5Å; M474-I529 HydrophobicContact CG-CB 4.26Å; M474-I529 HydrophobicContact CG-CG2 3.61Å; M474-I529 HydrophobicContact SD-CB 4.05Å; M474-I529 HydrophobicContact SD-CD1 4.47Å; M474-I529 HydrophobicContact SD-CG2 4.07Å; I477-I529 HydrophobicContact CD1-CD1 3.47Å; I477-I529 VanDerWaalsContact CD1-CD1 3.47Å; I477-I529 HydrophobicContact CG1-CD1 4.47Å; Y525-I529 WeakPolarHBondContact O-CG1 3.26Å; Y525-I529 PolarHBondContact O-N 3.23Å; S526-I529 PolarHBondContact O-N 3.04Å; A527-I529 PolarHBondContact O-N 3.2Å; I529-E531 VanDerWaalsContact C-N 3.28Å; I529-E531 PolarHBondContact O-N 2.78Å; I529-F532 WeakPolarHBondContact O-CB 3.49Å; I529-F532 PolarHBondContact O-N 2.74Å; I529-F532 VanDerWaalsContact O-N 3.17Å; I529-Q533 WeakPolarHBondContact O-CG 3.33Å; I529-Q533 PolarHBondContact O-N 3.04Å; I529-L637 HydrophobicContact CG1-CD2 4.44Å; I529-F640 HydrophobicContact CD1-CD1 4.42Å; I529-F640 HydrophobicContact CD1-CE1 4.37Å
530	R	92.6	Very high	91.1	Very high	151 Å²	151	65.8 Å²	65.8	57%	0.57	33%	0.329	S	S	*	.	H	α-helix	trans	-63.1	-36.4	172.8	-70.8	180	-165.7	-153.4	1.7	112.1	S526 A527 F532 Q533 T534	S526-R530 WeakPolarHBondContact O-CG 3.31Å; S526-R530 PolarHBondContact O-N 3.46Å; A527-R530 PolarHBondContact O-N 3.27Å; R530-F532 VanDerWaalsContact C-N 3.35Å; R530-Q533 PolarHBondContact O-N 2.88Å; R530-T534 PolarHBondContact O-N 3.45Å; R530-T534 PolarHBondContact O-OG1 3.12Å
531	E	94.8	Very high	91.9	Very high	106 Å²	106	65.2 Å²	65.2	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-44.2	172.6	-171	-176.5	173.3	0	0	110.7	A527 G528 I529 Q533 T534 Q535	A527-E531 PolarHBondContact O-N 2.82Å; G528-E531 WeakPolarHBondContact O-CB 3.5Å; G528-E531 PolarHBondContact O-N 3.37Å; I529-E531 VanDerWaalsContact C-N 3.28Å; I529-E531 PolarHBondContact O-N 2.78Å; E531-Q533 PolarHBondContact O-N 3.35Å; E531-T534 PolarHBondContact O-N 2.94Å; E531-Q535 WeakPolarHBondContact O-CG 3.44Å; E531-Q535 PolarHBondContact O-N 3.32Å; E531-Q535 PolarHBondContact OE1-NE2 3.45Å
532	F	95.6	Very high	92.6	Very high	10 Å²	10	64.7 Å²	64.7	4%	0.044	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-43.9	174.5	-64.4	-20.1	0	0	0	112.7	G528 I529 R530 T534 Q535 L536 M633 R636 L637	G528-F532 WeakPolarHBondContact O-CG 3.43Å; G528-F532 PolarHBondContact O-N 2.92Å; G528-F532 VanDerWaalsContact O-N 3.07Å; I529-F532 WeakPolarHBondContact O-CB 3.49Å; I529-F532 PolarHBondContact O-N 2.74Å; I529-F532 VanDerWaalsContact O-N 3.17Å; R530-F532 VanDerWaalsContact C-N 3.35Å; F532-T534 VanDerWaalsContact C-N 3.33Å; F532-T534 PolarHBondContact O-N 3.33Å; F532-Q535 PolarHBondContact O-N 3.2Å; F532-L536 WeakPolarHBondContact O-CB 3.28Å; F532-L536 WeakPolarHBondContact O-CG 3.34Å; F532-L536 PolarHBondContact O-N 3.16Å; F532-M633 HydrophobicContact CB-CE 4.31Å; F532-M633 HydrophobicContact CB-CG 4.44Å; F532-M633 HydrophobicContact CB-SD 4.43Å; F532-M633 HydrophobicContact CD1-CE 4.12Å; F532-M633 HydrophobicContact CD1-CG 3.79Å; F532-M633 HydrophobicContact CD2-CG 4.39Å; F532-M633 HydrophobicContact CE1-CG 4.03Å; F532-M633 HydrophobicContact CG-CG 3.99Å; F532-M633 HydrophobicContact CZ-CG 4.44Å; F532-R636 HydrophobicContact CE2-CB 4.1Å; F532-R636 HydrophobicContact CZ-CB 3.95Å; F532-R636 HydrophobicContact CZ-CG 4.48Å; F532-L637 HydrophobicContact CD2-CD2 4.3Å; F532-L637 HydrophobicContact CD2-CG 4.35Å; F532-L637 HydrophobicContact CE2-CG 4.37Å
533	Q	94.9	Very high	93.2	Very high	52 Å²	52	64.9 Å²	64.9	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-58.8	-44.8	176.3	-71.4	176.3	-34	0	0	111.7	C470 I529 R530 E531 Q535 L536 E537	C470-Q533 HydrophobicContact CB-CG 3.89Å; I529-Q533 WeakPolarHBondContact O-CG 3.33Å; I529-Q533 PolarHBondContact O-N 3.04Å; R530-Q533 PolarHBondContact O-N 2.88Å; E531-Q533 PolarHBondContact O-N 3.35Å; Q533-Q535 PolarHBondContact O-N 2.95Å; Q533-L536 PolarHBondContact O-N 3.18Å; Q533-E537 WeakPolarHBondContact O-CG 3.31Å; Q533-E537 PolarHBondContact O-N 3.36Å
534	T	95.3	Very high	93.7	Very high	92 Å²	92	63.4 Å²	63.4	56%	0.564	32%	0.322	S	S	*	.	H	α-helix	trans	-62.7	-43.6	176.8	-52.6	0	0	0	0	111.8	R530 E531 F532 E537 H538	R530-T534 PolarHBondContact O-N 3.45Å; R530-T534 PolarHBondContact O-OG1 3.12Å; E531-T534 PolarHBondContact O-N 2.94Å; F532-T534 VanDerWaalsContact C-N 3.33Å; F532-T534 PolarHBondContact O-N 3.33Å; T534-E537 PolarHBondContact O-N 3.39Å; T534-H538 PolarHBondContact O-N 2.75Å
535	Q	95.8	Very high	94.1	Very high	73 Å²	73	65.1 Å²	65.1	34%	0.341	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-41.8	177.4	-73.3	179.7	-2.8	0	0	111.4	E531 F532 Q533 E537 H538 L539 M633	E531-Q535 WeakPolarHBondContact O-CG 3.44Å; E531-Q535 PolarHBondContact O-N 3.32Å; E531-Q535 PolarHBondContact OE1-NE2 3.45Å; F532-Q535 PolarHBondContact O-N 3.2Å; Q533-Q535 PolarHBondContact O-N 2.95Å; Q535-E537 PolarHBondContact O-N 3.35Å; Q535-H538 PolarHBondContact O-N 3.13Å; Q535-L539 WeakPolarHBondContact O-CG 3.38Å; Q535-L539 PolarHBondContact O-N 3.33Å; Q535-M633 HydrophobicContact CB-CE 3.42Å; Q535-M633 VanDerWaalsContact CB-CE 3.42Å; Q535-M633 HydrophobicContact CG-CE 4.29Å
536	L	96.1	Very high	94.6	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-41.7	176.3	-76.4	169.1	0	0	0	112.2	M463 L466 R467 F532 Q533 H538 L539 Q540 L630 M633	M463-L536 HydrophobicContact CB-CD2 4.27Å; M463-L536 HydrophobicContact CG-CD2 4.33Å; L466-L536 HydrophobicContact CB-CD1 4.18Å; L466-L536 HydrophobicContact CB-CD2 4.26Å; R467-L536 HydrophobicContact CB-CD1 4.28Å; F532-L536 WeakPolarHBondContact O-CB 3.28Å; F532-L536 WeakPolarHBondContact O-CG 3.34Å; F532-L536 PolarHBondContact O-N 3.16Å; Q533-L536 PolarHBondContact O-N 3.18Å; L536-H538 PolarHBondContact O-N 3.12Å; L536-L539 PolarHBondContact O-N 3.24Å; L536-Q540 WeakPolarHBondContact O-CB 3.47Å; L536-Q540 PolarHBondContact O-N 2.98Å; L536-L630 HydrophobicContact CD2-CD2 3.5Å; L536-L630 VanDerWaalsContact CD2-CD2 3.5Å; L536-M633 HydrophobicContact CD2-SD 4.01Å; L536-M633 HydrophobicContact CG-CE 4.44Å; L536-M633 HydrophobicContact CG-SD 3.99Å
537	E	95.3	Very high	94.9	Very high	95 Å²	95	63.6 Å²	63.6	44%	0.444	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-44.3	175.6	-74.2	176.3	179.4	0	0	111.8	Q533 T534 Q535 L539 Q540 I541	Q533-E537 WeakPolarHBondContact O-CG 3.31Å; Q533-E537 PolarHBondContact O-N 3.36Å; T534-E537 PolarHBondContact O-N 3.39Å; Q535-E537 PolarHBondContact O-N 3.35Å; E537-L539 PolarHBondContact O-N 3.37Å; E537-Q540 PolarHBondContact O-N 2.77Å; E537-I541 WeakPolarHBondContact O-CG1 3.47Å; E537-I541 PolarHBondContact O-N 3.4Å
538	H	95.8	Very high	95.1	Very high	110 Å²	110	66.5 Å²	66.5	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-43.8	176.1	176.6	-97.9	0	0	0	112.1	T534 Q535 L536 Q540 I541 Q542	T534-H538 PolarHBondContact O-N 2.75Å; Q535-H538 PolarHBondContact O-N 3.13Å; L536-H538 PolarHBondContact O-N 3.12Å; H538-Q540 VanDerWaalsContact C-N 3.33Å; H538-Q540 PolarHBondContact O-N 2.79Å; H538-I541 PolarHBondContact O-N 2.97Å; H538-Q542 PolarHBondContact CE1-NE2 2.92Å; H538-Q542 WeakPolarHBondContact O-CG 3.31Å; H538-Q542 PolarHBondContact O-N 3.43Å; H538-Q542 VanDerWaalsContact O-N 3.15Å
539	L	96.1	Very high	95.2	Very high	12 Å²	12	69.3 Å²	69.3	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-39.6	175.9	-67.4	-174.1	0	0	0	112.1	M463 Q535 L536 E537 I541 Q542 Q543 W626 V629 L630	M463-L539 HydrophobicContact CE-CB 3.71Å; M463-L539 HydrophobicContact CE-CD1 4.4Å; M463-L539 HydrophobicContact SD-CB 4.01Å; Q535-L539 WeakPolarHBondContact O-CG 3.38Å; Q535-L539 PolarHBondContact O-N 3.33Å; L536-L539 PolarHBondContact O-N 3.24Å; E537-L539 PolarHBondContact O-N 3.37Å; L539-I541 PolarHBondContact O-N 3.44Å; L539-Q542 PolarHBondContact O-N 2.92Å; L539-Q543 WeakPolarHBondContact O-CB 3.31Å; L539-Q543 PolarHBondContact O-N 3.4Å; L539-W626 HydrophobicContact CD2-CG 4.44Å; L539-V629 HydrophobicContact CD1-CB 4.4Å; L539-V629 HydrophobicContact CD1-CG1 3.98Å; L539-L630 HydrophobicContact CD1-CD2 4.04Å; L539-L630 HydrophobicContact CD1-CG 4.38Å
540	Q	95.6	Very high	95.3	Very high	52 Å²	52	69.5 Å²	69.5	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-41.2	177.5	-173.2	178.4	5.4	0	0	111.8	L536 E537 H538 Q543 A544	L536-Q540 WeakPolarHBondContact O-CB 3.47Å; L536-Q540 PolarHBondContact O-N 2.98Å; E537-Q540 PolarHBondContact O-N 2.77Å; H538-Q540 VanDerWaalsContact C-N 3.33Å; H538-Q540 PolarHBondContact O-N 2.79Å; Q540-Q543 PolarHBondContact O-N 3.43Å; Q540-A544 WeakPolarHBondContact O-CB 3.43Å; Q540-A544 PolarHBondContact O-N 2.66Å
541	I	96.3	Very high	95.3	Very high	122 Å²	122	67.5 Å²	67.5	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-62.8	-43.7	175.5	-67	164.7	0	0	0	110.8	E537 H538 L539 A544 K545	E537-I541 WeakPolarHBondContact O-CG1 3.47Å; E537-I541 PolarHBondContact O-N 3.4Å; H538-I541 PolarHBondContact O-N 2.97Å; L539-I541 PolarHBondContact O-N 3.44Å; I541-A544 PolarHBondContact O-N 2.9Å; I541-K545 PolarHBondContact O-N 3.41Å; I541-K545 VanDerWaalsContact O-N 3.14Å
542	Q	95.4	Very high	95.2	Very high	78 Å²	78	68.9 Å²	68.9	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.2	-69.8	-173.2	-19.1	0	0	111.8	H538 L539 K545 L546 W626	H538-Q542 PolarHBondContact CE1-NE2 2.92Å; H538-Q542 WeakPolarHBondContact O-CG 3.31Å; H538-Q542 PolarHBondContact O-N 3.43Å; H538-Q542 VanDerWaalsContact O-N 3.15Å; L539-Q542 PolarHBondContact O-N 2.92Å; Q542-K545 PolarHBondContact O-N 2.78Å; Q542-L546 PolarHBondContact O-N 2.98Å; Q542-W626 HydrophobicContact CB-CZ2 4.17Å
543	Q	96.3	Very high	95.1	Very high	15 Å²	15	69.5 Å²	69.5	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-45.6	177.8	-175.8	-77.3	-22.9	0	0	111.3	L456 M463 L539 Q540 K545 L546 A547 W626	L456-Q543 HydrophobicContact CD2-CG 4.11Å; L456-Q543 PolarHBondContact O-NE2 3.26Å; M463-Q543 HydrophobicContact CE-CB 4.43Å; M463-Q543 HydrophobicContact SD-CB 4.38Å; L539-Q543 WeakPolarHBondContact O-CB 3.31Å; L539-Q543 PolarHBondContact O-N 3.4Å; Q540-Q543 PolarHBondContact O-N 3.43Å; Q543-K545 PolarHBondContact O-N 3.42Å; Q543-L546 PolarHBondContact O-N 2.97Å; Q543-A547 PolarHBondContact O-N 3.11Å; Q543-W626 HydrophobicContact CB-CH2 3.88Å; Q543-W626 HydrophobicContact CB-CZ2 4.28Å; Q543-W626 HydrophobicContact CB-CZ3 4.33Å; Q543-W626 HydrophobicContact CG-CH2 4.15Å; Q543-W626 HydrophobicContact CG-CZ3 4.23Å
544	A	95.9	Very high	95.1	Very high	50 Å²	50	73.2 Å²	73.2	41%	0.413	38%	0.376	S	S	.	.	H	α-helix	trans	-60.9	-42.4	-179.6	0	0	0	0	0	112.2	Q540 I541 L546 A547 E548	Q540-A544 WeakPolarHBondContact O-CB 3.43Å; Q540-A544 PolarHBondContact O-N 2.66Å; I541-A544 PolarHBondContact O-N 2.9Å; A544-L546 VanDerWaalsContact C-N 3.33Å; A544-L546 PolarHBondContact O-N 3.03Å; A544-A547 WeakPolarHBondContact O-CB 3.43Å; A544-A547 PolarHBondContact O-N 2.86Å; A544-E548 PolarHBondContact O-N 3.39Å
545	K	95.8	Very high	95.2	Very high	147 Å²	147	69 Å²	69	64%	0.639	35%	0.35	S	S	*	.	H	α-helix	trans	-61.1	-40.6	176.2	-175	179.6	-179.3	179.7	0	112.5	I541 Q542 Q543 T549	I541-K545 PolarHBondContact O-N 3.41Å; I541-K545 VanDerWaalsContact O-N 3.14Å; Q542-K545 PolarHBondContact O-N 2.78Å; Q543-K545 PolarHBondContact O-N 3.42Å; K545-T549 PolarHBondContact O-N 3.43Å; K545-T549 VanDerWaalsContact O-N 3.11Å; K545-T549 PolarHBondContact O-OG1 2.81Å
546	L	95.6	Very high	95.2	Very high	54 Å²	54	66.9 Å²	66.9	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-70.7	-34.3	177.6	-70.7	171.7	0	0	0	111.9	L456 Q542 Q543 A544 T549 L550 L619 W626	L456-L546 HydrophobicContact CD2-CB 3.81Å; Q542-L546 PolarHBondContact O-N 2.98Å; Q543-L546 PolarHBondContact O-N 2.97Å; A544-L546 VanDerWaalsContact C-N 3.33Å; A544-L546 PolarHBondContact O-N 3.03Å; L546-T549 PolarHBondContact O-N 3.24Å; L546-L550 PolarHBondContact O-N 2.95Å; L546-L550 VanDerWaalsContact O-N 3.08Å; L546-L619 HydrophobicContact CD1-CD1 3.95Å; L546-W626 HydrophobicContact CD1-CH2 3.69Å; L546-W626 HydrophobicContact CD1-CZ2 3.84Å
547	A	95.6	Very high	95.3	Very high	31 Å²	31	72.3 Å²	72.3	26%	0.256	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-45.7	173.6	0	0	0	0	0	112.5	L456 Q543 A544 T549 L550 T551	L456-A547 HydrophobicContact CD1-CB 4.27Å; Q543-A547 PolarHBondContact O-N 3.11Å; A544-A547 WeakPolarHBondContact O-CB 3.43Å; A544-A547 PolarHBondContact O-N 2.86Å; A547-T549 VanDerWaalsContact C-N 3.31Å; A547-T549 PolarHBondContact O-N 2.8Å; A547-L550 WeakPolarHBondContact O-CB 3.43Å; A547-L550 PolarHBondContact O-N 3.14Å; A547-L550 VanDerWaalsContact O-N 3.1Å; A547-T551 PolarHBondContact O-N 3.43Å; A547-T551 VanDerWaalsContact O-N 3.13Å
548	E	95.5	Very high	95.4	Very high	121 Å²	121	72 Å²	72	57%	0.565	37%	0.365	S	S	*	.	H	α-helix	trans	-58.7	-44.7	174.2	-174.3	-179.9	-166.5	0	0	111.1	A544 L550 T551 H552	A544-E548 PolarHBondContact O-N 3.39Å; E548-L550 PolarHBondContact O-N 3.06Å; E548-T551 PolarHBondContact O-N 3.28Å; E548-T551 VanDerWaalsContact O-N 3.14Å; E548-T551 PolarHBondContact O-OG1 2.74Å; E548-H552 PolarHBondContact O-CD2 2.99Å; E548-H552 PolarHBondContact O-N 2.86Å
549	T	93.7	Very high	95.5	Very high	72 Å²	72	66.8 Å²	66.8	44%	0.442	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-36.3	176.5	-55.4	0	0	0	0	112.3	K545 L546 A547	K545-T549 PolarHBondContact O-N 3.43Å; K545-T549 VanDerWaalsContact O-N 3.11Å; K545-T549 PolarHBondContact O-OG1 2.81Å; L546-T549 PolarHBondContact O-N 3.24Å; A547-T549 VanDerWaalsContact C-N 3.31Å; A547-T549 PolarHBondContact O-N 2.8Å
550	L	94.2	Very high	95.6	Very high	10 Å²	10	68.9 Å²	68.9	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-39.4	177.5	-178.9	62	0	0	0	112.4	R452 E453 L456 L546 A547 E548 H552 D553	R452-L550 HydrophobicContact CB-CD1 4.08Å; R452-L550 HydrophobicContact CB-CD2 3.91Å; E453-L550 HydrophobicContact CB-CD2 4.29Å; E453-L550 HydrophobicContact CG-CD2 3.55Å; E453-L550 HydrophobicContact CG-CG 4.42Å; L456-L550 HydrophobicContact CD1-CB 4.37Å; L456-L550 HydrophobicContact CD1-CD2 3.8Å; L546-L550 PolarHBondContact O-N 2.95Å; L546-L550 VanDerWaalsContact O-N 3.08Å; A547-L550 WeakPolarHBondContact O-CB 3.43Å; A547-L550 PolarHBondContact O-N 3.14Å; A547-L550 VanDerWaalsContact O-N 3.1Å; E548-L550 PolarHBondContact O-N 3.06Å; L550-H552 PolarHBondContact O-N 3.02Å; L550-D553 VanDerWaalsContact O-CB 3.24Å; L550-D553 WeakPolarHBondContact O-CB 3.23Å; L550-D553 PolarHBondContact O-N 3.29Å
551	T	92.1	Very high	95.7	Very high	110 Å²	110	70.4 Å²	70.4	68%	0.675	36%	0.36	S	S	*	.	H	α-helix	trans	-63.6	-25	178.8	62.6	0	0	0	0	113.8	A547 E548	A547-T551 PolarHBondContact O-N 3.43Å; A547-T551 VanDerWaalsContact O-N 3.13Å; E548-T551 PolarHBondContact O-N 3.28Å; E548-T551 VanDerWaalsContact O-N 3.14Å; E548-T551 PolarHBondContact O-OG1 2.74Å
552	H	93.1	Very high	95.8	Very high	135 Å²	135	65.1 Å²	65.1	63%	0.625	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.1	175.7	-64.5	-56.6	0	0	0	113.6	E548 L550 K554	E548-H552 PolarHBondContact O-CD2 2.99Å; E548-H552 PolarHBondContact O-N 2.86Å; L550-H552 PolarHBondContact O-N 3.02Å; H552-K554 PolarHBondContact O-N 3.24Å
553	D	93.4	Very high	96	Very high	23 Å²	23	61.6 Å²	61.6	12%	0.123	32%	0.316	C	S	.	.			trans	-74.6	117.1	-177.1	-162.8	-19.6	0	0	0	112	R452 L550 S555 R615	R452-D553 IonicContact CZ-OD2 3.66Å; R452-D553 IonicContact NH1-OD2 3.9Å; R452-D553 PolarHBondContact NH1-OD2 2.95Å; R452-D553 IonicContact NH2-OD2 2.72Å; L550-D553 VanDerWaalsContact O-CB 3.24Å; L550-D553 WeakPolarHBondContact O-CB 3.23Å; L550-D553 PolarHBondContact O-N 3.29Å; D553-S555 WeakPolarHBondContact OD1-CB 3.5Å; D553-S555 PolarHBondContact OD1-N 3.22Å; D553-S555 PolarHBondContact OD1-OG 2.91Å; D553-R615 IonicContact OD1-NH1 3.23Å; D553-R615 PolarHBondContact OD1-NH1 3.19Å; D553-R615 IonicContact OD2-NH1 2.94Å; D553-R615 PolarHBondContact OD2-NH1 2.89Å
554	K	95.5	Very high	96	Very high	129 Å²	129	65.8 Å²	65.8	56%	0.561	34%	0.336	S	S	*	.			trans	-101.2	13.8	178.5	-60.3	-173.5	-178.8	-178.9	0	113.5	H552 C556 Q557 K558	H552-K554 PolarHBondContact O-N 3.24Å; K554-C556 VanDerWaalsContact C-N 3.33Å; K554-C556 PolarHBondContact O-N 3.36Å; K554-Q557 PolarHBondContact O-N 2.87Å; K554-K558 WeakPolarHBondContact O-CG 3.22Å; K554-K558 PolarHBondContact O-N 3.38Å
555	S	96.2	Very high	96.2	Very high	4 Å²	4	67.9 Å²	67.9	3%	0.028	34%	0.336	C	S	.	.	H	α-helix	trans	-55.1	-44.3	-177	-64.5	0	0	0	0	113.1	D553 Q557 K558 M559 C612 R615	D553-S555 WeakPolarHBondContact OD1-CB 3.5Å; D553-S555 PolarHBondContact OD1-N 3.22Å; D553-S555 PolarHBondContact OD1-OG 2.91Å; S555-Q557 PolarHBondContact O-N 3.21Å; S555-K558 PolarHBondContact O-N 3.45Å; S555-M559 WeakPolarHBondContact O-CB 3.36Å; S555-M559 PolarHBondContact O-N 3.31Å; S555-C612 VanDerWaalsContact CB-SG 3.59Å; S555-R615 PolarHBondContact OG-NH1 2.95Å
556	C	96	Very high	96.3	Very high	28 Å²	28	60.9 Å²	60.9	19%	0.189	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-44.3	177.8	-60.9	0	0	0	0	112	L446 K554 M559 Q560	L446-C556 HydrophobicContact CD2-CB 4.08Å; K554-C556 VanDerWaalsContact C-N 3.33Å; K554-C556 PolarHBondContact O-N 3.36Å; C556-M559 PolarHBondContact O-N 3.16Å; C556-Q560 PolarHBondContact O-N 2.85Å
557	Q	97.3	Very high	96.4	Very high	121 Å²	121	59.9 Å²	59.9	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-66.5	-43.9	177.9	-64.5	171.9	-7.5	0	0	111.6	K554 S555 M559 Q560 I561	K554-Q557 PolarHBondContact O-N 2.87Å; S555-Q557 PolarHBondContact O-N 3.21Å; Q557-M559 VanDerWaalsContact C-N 3.31Å; Q557-M559 PolarHBondContact O-N 3.42Å; Q557-Q560 WeakPolarHBondContact O-CB 3.49Å; Q557-Q560 PolarHBondContact O-N 3.07Å; Q557-I561 WeakPolarHBondContact O-CG1 3.1Å; Q557-I561 PolarHBondContact O-N 3.45Å
558	K	97.9	Very high	96.5	Very high	88 Å²	88	60.9 Å²	60.9	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-59	-42.4	175.2	-70.9	175.8	-178.9	178.5	0	111.4	K554 S555 I561 L562 L607 E611	K554-K558 WeakPolarHBondContact O-CG 3.22Å; K554-K558 PolarHBondContact O-N 3.38Å; S555-K558 PolarHBondContact O-N 3.45Å; K558-I561 PolarHBondContact O-N 3.15Å; K558-L562 WeakPolarHBondContact O-CG 3.37Å; K558-L562 PolarHBondContact O-N 2.88Å; K558-L562 VanDerWaalsContact O-N 3.15Å; K558-L607 HydrophobicContact CB-CD1 4.34Å; K558-L607 HydrophobicContact CB-CD2 3.65Å; K558-L607 HydrophobicContact CD-CD1 3.82Å; K558-E611 VanDerWaalsContact NZ-CD 3.29Å; K558-E611 IonicContact NZ-OE1 2.79Å; K558-E611 PolarHBondContact NZ-OE1 3.27Å; K558-E611 IonicContact NZ-OE2 3.41Å; K558-E611 PolarHBondContact NZ-OE2 2.95Å
559	M	98.1	Very high	96.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-42.3	177.6	-174.1	60.1	76.3	0	0	111.5	V438 K442 V445 S555 C556 Q557 I561 L562 L563 V604 L607 F608	V438-M559 HydrophobicContact CG1-SD 4.44Å; K442-M559 HydrophobicContact CB-CG 3.97Å; K442-M559 HydrophobicContact CG-CG 4.43Å; V445-M559 HydrophobicContact CG2-CE 3.83Å; S555-M559 WeakPolarHBondContact O-CB 3.36Å; S555-M559 PolarHBondContact O-N 3.31Å; C556-M559 PolarHBondContact O-N 3.16Å; Q557-M559 VanDerWaalsContact C-N 3.31Å; Q557-M559 PolarHBondContact O-N 3.42Å; M559-I561 PolarHBondContact O-N 3.43Å; M559-L562 PolarHBondContact O-N 2.92Å; M559-L563 PolarHBondContact O-N 3.32Å; M559-V604 HydrophobicContact CE-CG1 4.02Å; M559-V604 HydrophobicContact SD-CB 4.42Å; M559-V604 HydrophobicContact SD-CG1 3.87Å; M559-V604 HydrophobicContact SD-CG2 4.13Å; M559-L607 HydrophobicContact CB-CD2 4.15Å; M559-L607 HydrophobicContact CE-CD2 4.09Å; M559-L607 HydrophobicContact CE-CG 4.43Å; M559-F608 HydrophobicContact CE-CB 4.38Å
560	Q	98.1	Very high	96.8	Very high	56 Å²	56	53.2 Å²	53.2	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-58.8	-46.7	175.2	177.5	59.3	26.7	0	0	112.1	C556 Q557 L562 L563 E564	C556-Q560 PolarHBondContact O-N 2.85Å; Q557-Q560 WeakPolarHBondContact O-CB 3.49Å; Q557-Q560 PolarHBondContact O-N 3.07Å; Q560-L562 VanDerWaalsContact C-N 3.3Å; Q560-L562 PolarHBondContact O-N 3.5Å; Q560-L563 WeakPolarHBondContact O-CB 2.92Å; Q560-L563 PolarHBondContact O-N 3.42Å; Q560-E564 WeakPolarHBondContact CG-OE1 2.8Å; Q560-E564 PolarHBondContact NE2-OE1 3.03Å; Q560-E564 WeakPolarHBondContact O-CG 3.16Å; Q560-E564 PolarHBondContact O-N 3.26Å
561	I	98.3	Very high	96.9	Very high	85 Å²	85	58 Å²	58	44%	0.436	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-38.3	177.8	-66.9	165.3	0	0	0	111.5	Q557 K558 M559 K565	Q557-I561 WeakPolarHBondContact O-CG1 3.1Å; Q557-I561 PolarHBondContact O-N 3.45Å; K558-I561 PolarHBondContact O-N 3.15Å; M559-I561 PolarHBondContact O-N 3.43Å; I561-K565 HydrophobicContact CG2-CD 4.45Å; I561-K565 WeakPolarHBondContact O-CG 3.37Å; I561-K565 PolarHBondContact O-N 2.92Å
562	L	98.4	Very high	97.1	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-41.2	176.3	-72.6	169.5	0	0	0	111.6	K558 M559 Q560 K565 I566 R603 V604 L607	K558-L562 WeakPolarHBondContact O-CG 3.37Å; K558-L562 PolarHBondContact O-N 2.88Å; K558-L562 VanDerWaalsContact O-N 3.15Å; M559-L562 PolarHBondContact O-N 2.92Å; Q560-L562 VanDerWaalsContact C-N 3.3Å; Q560-L562 PolarHBondContact O-N 3.5Å; L562-K565 PolarHBondContact O-N 2.85Å; L562-I566 VanDerWaalsContact O-CG1 3.31Å; L562-I566 WeakPolarHBondContact O-CG1 3.41Å; L562-I566 PolarHBondContact O-N 3.26Å; L562-R603 HydrophobicContact CD1-CB 4.17Å; L562-R603 HydrophobicContact CD2-CB 4.05Å; L562-V604 HydrophobicContact CB-CG2 3.81Å; L562-V604 HydrophobicContact CD1-CG2 3.86Å; L562-V604 HydrophobicContact CG-CG2 4.38Å; L562-L607 HydrophobicContact CD1-CD2 4.04Å
563	L	98.3	Very high	97.2	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-45.1	175.2	175	61	0	0	0	111.6	V435 V438 K442 M559 Q560 K565 I566 T567	V435-L563 HydrophobicContact CG1-CD1 4.29Å; V438-L563 HydrophobicContact CB-CD1 3.94Å; V438-L563 HydrophobicContact CG1-CB 3.9Å; V438-L563 HydrophobicContact CG1-CD1 3.75Å; V438-L563 HydrophobicContact CG1-CG 4.38Å; K442-L563 HydrophobicContact CD-CD2 3.67Å; M559-L563 PolarHBondContact O-N 3.32Å; Q560-L563 WeakPolarHBondContact O-CB 2.92Å; Q560-L563 PolarHBondContact O-N 3.42Å; L563-K565 VanDerWaalsContact C-N 3.35Å; L563-K565 PolarHBondContact O-N 2.69Å; L563-I566 PolarHBondContact O-N 2.8Å; L563-T567 VanDerWaalsContact O-CB 3.31Å; L563-T567 WeakPolarHBondContact O-CB 3.48Å; L563-T567 PolarHBondContact O-N 2.98Å; L563-T567 PolarHBondContact O-OG1 3.14Å
564	E	98.3	Very high	97.2	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-59.1	-44.6	177.1	-74	166.2	-168.6	0	0	111.9	Q560 T567 A568	Q560-E564 WeakPolarHBondContact CG-OE1 2.8Å; Q560-E564 PolarHBondContact NE2-OE1 3.03Å; Q560-E564 WeakPolarHBondContact O-CG 3.16Å; Q560-E564 PolarHBondContact O-N 3.26Å; E564-T567 PolarHBondContact O-N 3.34Å; E564-A568 WeakPolarHBondContact O-CB 3.47Å; E564-A568 PolarHBondContact O-N 2.84Å
565	K	98.3	Very high	97.2	Very high	93 Å²	93	54.8 Å²	54.8	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-44.4	177.1	-71.6	177.9	-179.7	-174.1	0	112.6	I561 L562 L563 T567 A568 I569	I561-K565 HydrophobicContact CG2-CD 4.45Å; I561-K565 WeakPolarHBondContact O-CG 3.37Å; I561-K565 PolarHBondContact O-N 2.92Å; L562-K565 PolarHBondContact O-N 2.85Å; L563-K565 VanDerWaalsContact C-N 3.35Å; L563-K565 PolarHBondContact O-N 2.69Å; K565-T567 VanDerWaalsContact C-N 3.32Å; K565-A568 PolarHBondContact O-N 3.28Å; K565-I569 WeakPolarHBondContact O-CG1 3.34Å; K565-I569 PolarHBondContact O-N 2.86Å
566	I	98.4	Very high	97.1	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-38.9	178.2	-69.1	171	0	0	0	110.6	I434 V435 V438 L562 L563 I569 H570 L597 H600 V604	I434-I566 HydrophobicContact CG2-CG2 4.01Å; V435-I566 HydrophobicContact CG2-CG2 3.89Å; V438-I566 HydrophobicContact CG1-CD1 4.38Å; V438-I566 HydrophobicContact CG2-CD1 3.74Å; L562-I566 VanDerWaalsContact O-CG1 3.31Å; L562-I566 WeakPolarHBondContact O-CG1 3.41Å; L562-I566 PolarHBondContact O-N 3.26Å; L563-I566 PolarHBondContact O-N 2.8Å; I566-I569 PolarHBondContact O-N 2.93Å; I566-H570 PolarHBondContact O-N 3.32Å; I566-L597 HydrophobicContact CB-CD1 4.42Å; I566-L597 HydrophobicContact CG1-CD1 4.21Å; I566-L597 HydrophobicContact CG2-CD1 3.8Å; I566-H600 HydrophobicContact CD1-CB 3.9Å; I566-H600 HydrophobicContact CG1-CB 3.65Å; I566-V604 HydrophobicContact CD1-CG2 3.98Å
567	T	98	Very high	97	Very high	33 Å²	33	58.4 Å²	58.4	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-39.8	177.7	-56.9	0	0	0	0	111.5	L563 E564 K565 I569 H570 Q571	L563-T567 VanDerWaalsContact O-CB 3.31Å; L563-T567 WeakPolarHBondContact O-CB 3.48Å; L563-T567 PolarHBondContact O-N 2.98Å; L563-T567 PolarHBondContact O-OG1 3.14Å; E564-T567 PolarHBondContact O-N 3.34Å; K565-T567 VanDerWaalsContact C-N 3.32Å; T567-I569 VanDerWaalsContact C-N 3.35Å; T567-I569 PolarHBondContact O-N 2.97Å; T567-H570 WeakPolarHBondContact O-CB 3.44Å; T567-H570 PolarHBondContact O-N 2.93Å; T567-Q571 WeakPolarHBondContact O-CG 3.48Å; T567-Q571 PolarHBondContact O-N 3.44Å
568	A	97.9	Very high	96.7	Very high	52 Å²	52	58.8 Å²	58.8	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-44.2	174.9	0	0	0	0	0	111.9	E564 K565 Q571 Q572	E564-A568 WeakPolarHBondContact O-CB 3.47Å; E564-A568 PolarHBondContact O-N 2.84Å; K565-A568 PolarHBondContact O-N 3.28Å; A568-Q571 PolarHBondContact O-N 3.18Å; A568-Q572 PolarHBondContact O-N 2.9Å
569	I	97.8	Very high	96.3	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.072	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-44.7	174.8	-63.8	168.5	0	0	0	110.7	K565 I566 T567 Q571 Q572 Y573 E593 H596 L597	K565-I569 WeakPolarHBondContact O-CG1 3.34Å; K565-I569 PolarHBondContact O-N 2.86Å; I566-I569 PolarHBondContact O-N 2.93Å; T567-I569 VanDerWaalsContact C-N 3.35Å; T567-I569 PolarHBondContact O-N 2.97Å; I569-Q571 VanDerWaalsContact C-N 3.31Å; I569-Q571 PolarHBondContact O-N 3.3Å; I569-Q572 WeakPolarHBondContact O-CB 3.46Å; I569-Q572 PolarHBondContact O-N 2.9Å; I569-Q572 VanDerWaalsContact O-N 3.12Å; I569-Y573 HydrophobicContact CG2-CD1 4.1Å; I569-Y573 HydrophobicContact CG2-CE1 3.75Å; I569-Y573 HydrophobicContact CG2-CE2 4.3Å; I569-Y573 WeakPolarHBondContact O-CD1 3.49Å; I569-Y573 PolarHBondContact O-N 3.42Å; I569-E593 HydrophobicContact CG2-CB 4.16Å; I569-H596 HydrophobicContact CD1-CB 4.2Å; I569-L597 HydrophobicContact CD1-CB 4.11Å; I569-L597 HydrophobicContact CG2-CB 4.38Å
570	H	97	Very high	95.5	Very high	17 Å²	17	61.3 Å²	61.3	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-41	176.7	174.4	61.8	0	0	0	112.7	Y428 S431 V435 I566 T567 Q572 Y573 R574	Y428-H570 AromaticContact CD2-CE1 3.94Å; Y428-H570 AromaticContact CE2-CE1 3.39Å; Y428-H570 WeakPolarHBondContact CE2-CE1 3.48Å; Y428-H570 AromaticContact CZ-CE1 3.93Å; S431-H570 PolarHBondContact OG-ND1 3.31Å; V435-H570 HydrophobicContact CG2-CB 3.64Å; I566-H570 PolarHBondContact O-N 3.32Å; T567-H570 WeakPolarHBondContact O-CB 3.44Å; T567-H570 PolarHBondContact O-N 2.93Å; H570-Q572 VanDerWaalsContact C-N 3.31Å; H570-Q572 PolarHBondContact O-N 2.73Å; H570-Y573 PolarHBondContact O-N 2.85Å; H570-R574 PolarHBondContact O-N 2.91Å
571	Q	96.3	Very high	95.1	Very high	111 Å²	111	68.1 Å²	68.1	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-37.6	176	-71.4	174.5	2.3	0	0	111.8	T567 A568 I569 R574 K575	T567-Q571 WeakPolarHBondContact O-CG 3.48Å; T567-Q571 PolarHBondContact O-N 3.44Å; A568-Q571 PolarHBondContact O-N 3.18Å; I569-Q571 VanDerWaalsContact C-N 3.31Å; I569-Q571 PolarHBondContact O-N 3.3Å; Q571-R574 WeakPolarHBondContact O-CB 3.31Å; Q571-R574 PolarHBondContact O-N 2.82Å; Q571-K575 PolarHBondContact O-N 3.36Å
572	Q	95.8	Very high	94.8	Very high	60 Å²	60	65 Å²	65	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-66.1	-46.3	174	-171	54.2	42.3	0	0	111.3	A568 I569 H570 R574 K575 D576 E593	A568-Q572 PolarHBondContact O-N 2.9Å; I569-Q572 WeakPolarHBondContact O-CB 3.46Å; I569-Q572 PolarHBondContact O-N 2.9Å; I569-Q572 VanDerWaalsContact O-N 3.12Å; H570-Q572 VanDerWaalsContact C-N 3.31Å; H570-Q572 PolarHBondContact O-N 2.73Å; Q572-R574 PolarHBondContact O-N 2.97Å; Q572-K575 WeakPolarHBondContact O-CA 3.37Å; Q572-K575 WeakPolarHBondContact O-CB 3.25Å; Q572-K575 PolarHBondContact O-N 3.17Å; Q572-D576 PolarHBondContact NE2-OD1 3.02Å; Q572-D576 PolarHBondContact O-N 3.26Å; Q572-E593 WeakPolarHBondContact CG-OE2 3.14Å
573	Y	95.8	Very high	94.5	Very high	1 Å²	1	70.6 Å²	70.6	0%	0.004	35%	0.35	C	S	.	.	H	α-helix	trans	-59.9	-33.3	176	-75.2	13	0	0	0	112.8	D427 I569 H570 K575 D576 R577 H590 E593 K594 L597	D427-Y573 HydrophobicContact CB-CD2 4.15Å; D427-Y573 HydrophobicContact CB-CE2 3.78Å; D427-Y573 WeakPolarHBondContact O-CD2 3.37Å; I569-Y573 HydrophobicContact CG2-CD1 4.1Å; I569-Y573 HydrophobicContact CG2-CE1 3.75Å; I569-Y573 HydrophobicContact CG2-CE2 4.3Å; I569-Y573 WeakPolarHBondContact O-CD1 3.49Å; I569-Y573 PolarHBondContact O-N 3.42Å; H570-Y573 PolarHBondContact O-N 2.85Å; Y573-K575 VanDerWaalsContact C-N 3.34Å; Y573-D576 PolarHBondContact O-N 2.96Å; Y573-R577 WeakPolarHBondContact O-CB 3.4Å; Y573-R577 PolarHBondContact O-N 2.93Å; Y573-H590 AromaticContact CD1-CE1 3.29Å; Y573-H590 WeakPolarHBondContact CD1-CE1 3.21Å; Y573-H590 AromaticContact CD1-ND1 3.55Å; Y573-H590 AromaticContact CE1-CD2 3.98Å; Y573-H590 AromaticContact CE1-CE1 3.3Å; Y573-H590 WeakPolarHBondContact CE1-CE1 3.21Å; Y573-H590 AromaticContact CE1-CG 3.93Å; Y573-H590 AromaticContact CE1-ND1 3.51Å; Y573-H590 AromaticContact CE1-NE2 3.63Å; Y573-H590 AromaticContact CE2-NE2 3.96Å; Y573-H590 AromaticContact CG-CE1 3.67Å; Y573-H590 AromaticContact CZ-CE1 3.67Å; Y573-H590 AromaticContact CZ-NE2 3.55Å; Y573-E593 HydrophobicContact CE1-CB 4.03Å; Y573-K594 WeakPolarHBondContact OH-CA 3.46Å; Y573-K594 VanDerWaalsContact OH-CB 3.23Å; Y573-K594 WeakPolarHBondContact OH-CB 3.16Å; Y573-K594 PolarHBondContact OH-N 2.73Å; Y573-K594 VanDerWaalsContact OH-N 3.11Å; Y573-L597 HydrophobicContact CE2-CD2 4.27Å
574	R	94.5	Very high	94.3	Very high	147 Å²	147	78.2 Å²	78.2	56%	0.555	38%	0.38	S	S	*	.	H	α-helix	trans	-61.7	-43.1	172.8	-172.6	-178.9	171.4	178.7	-1.3	111.3	Y428 H570 Q571 Q572 L578	Y428-R574 HydrophobicContact CD2-CB 4.18Å; Y428-R574 HydrophobicContact CE2-CB 3.71Å; Y428-R574 HydrophobicContact CE2-CG 3.96Å; H570-R574 PolarHBondContact O-N 2.91Å; Q571-R574 WeakPolarHBondContact O-CB 3.31Å; Q571-R574 PolarHBondContact O-N 2.82Å; Q572-R574 PolarHBondContact O-N 2.97Å; R574-L578 WeakPolarHBondContact O-CG 3.47Å; R574-L578 PolarHBondContact O-N 2.63Å
575	K	94.3	Very high	94.1	Very high	122 Å²	122	78.7 Å²	78.7	53%	0.53	39%	0.386	S	S	.	.	H	α-helix	trans	-65.4	-47.4	176.6	-65.6	173.6	-173.9	170.2	0	110.5	Q571 Q572 Y573 R577 L578 T579	Q571-K575 PolarHBondContact O-N 3.36Å; Q572-K575 WeakPolarHBondContact O-CA 3.37Å; Q572-K575 WeakPolarHBondContact O-CB 3.25Å; Q572-K575 PolarHBondContact O-N 3.17Å; Y573-K575 VanDerWaalsContact C-N 3.34Å; K575-R577 VanDerWaalsContact C-N 3.29Å; K575-R577 PolarHBondContact O-N 3.14Å; K575-L578 WeakPolarHBondContact O-CA 3.23Å; K575-L578 WeakPolarHBondContact O-CB 3.44Å; K575-L578 PolarHBondContact O-N 2.95Å; K575-T579 PolarHBondContact O-N 2.81Å; K575-T579 PolarHBondContact O-OG1 3.39Å; K575-T579 VanDerWaalsContact O-OG1 3.12Å
576	D	94.6	Very high	93.9	Very high	11 Å²	11	77.4 Å²	77.4	6%	0.059	38%	0.384	C	S	.	.	H	α-helix	trans	-57.7	-43.2	179.9	-63.9	-8.5	0	0	0	111.8	V424 Q572 Y573 L578 T579 G580 L582 H590	V424-D576 HydrophobicContact CG1-CB 4.02Å; Q572-D576 PolarHBondContact NE2-OD1 3.02Å; Q572-D576 PolarHBondContact O-N 3.26Å; Y573-D576 PolarHBondContact O-N 2.96Å; D576-L578 VanDerWaalsContact C-N 3.29Å; D576-L578 PolarHBondContact O-N 2.84Å; D576-T579 PolarHBondContact O-N 2.97Å; D576-G580 PolarHBondContact O-N 2.91Å; D576-L582 HydrophobicContact CB-CD1 4.22Å; D576-L582 HydrophobicContact CB-CD2 3.9Å; D576-H590 IonicContact OD2-CE1 3.24Å; D576-H590 IonicContact OD2-CG 2.73Å; D576-H590 IonicContact OD2-ND1 2.69Å; D576-H590 PolarHBondContact OD2-ND1 2.69Å
577	R	93.9	Very high	93.7	Very high	97 Å²	97	80 Å²	80	37%	0.366	40%	0.396	S	S	.	.	H	α-helix	trans	-60.3	-36.9	175	-170.9	-171.1	72.5	162.8	2.5	112.7	V424 Y428 Y573 K575	V424-R577 HydrophobicContact CG1-CB 4.21Å; Y428-R577 VanDerWaalsContact CE1-CZ 3.49Å; Y573-R577 WeakPolarHBondContact O-CB 3.4Å; Y573-R577 PolarHBondContact O-N 2.93Å; K575-R577 VanDerWaalsContact C-N 3.29Å; K575-R577 PolarHBondContact O-N 3.14Å
578	L	90.9	Very high	93.6	Very high	129 Å²	129	82 Å²	82	68%	0.675	40%	0.402	S	S	*	.	H	α-helix	trans	-73.5	-33.6	178.1	-68.4	170.1	0	0	0	111.9	R574 K575 D576 G580	R574-L578 WeakPolarHBondContact O-CG 3.47Å; R574-L578 PolarHBondContact O-N 2.63Å; K575-L578 WeakPolarHBondContact O-CA 3.23Å; K575-L578 WeakPolarHBondContact O-CB 3.44Å; K575-L578 PolarHBondContact O-N 2.95Å; D576-L578 VanDerWaalsContact C-N 3.29Å; D576-L578 PolarHBondContact O-N 2.84Å; L578-G580 VanDerWaalsContact C-N 3.34Å
579	T	89.1	Confident	93.5	Very high	98 Å²	98	83.8 Å²	83.8	60%	0.601	40%	0.404	S	S	*	.	H	α-helix	trans	-69.5	-32	175.5	-52.2	0	0	0	0	112.1	K575 D576 K581	K575-T579 PolarHBondContact O-N 2.81Å; K575-T579 PolarHBondContact O-OG1 3.39Å; K575-T579 VanDerWaalsContact O-OG1 3.12Å; D576-T579 PolarHBondContact O-N 2.97Å; T579-K581 PolarHBondContact O-N 3.06Å
580	G	82.6	Confident	93.4	Very high	42 Å²	42	83.1 Å²	83.1	43%	0.433	40%	0.4	S	S	.	.			trans	83.5	-103.1	-179.7	0	0	0	0	0	111.9	D576 L578 L582	D576-G580 PolarHBondContact O-N 2.91Å; L578-G580 VanDerWaalsContact C-N 3.34Å; G580-L582 PolarHBondContact O-N 3.23Å
581	K	88.1	Confident	93.3	Very high	199 Å²	199	85.6 Å²	85.6	87%	0.865	41%	0.411	S	S	*	.	S	Bend	trans	-83	111.1	-178	-169.5	177.8	-177.8	-179.4	0	110.5	T579	T579-K581 PolarHBondContact O-N 3.06Å
582	L	92	Very high	93.2	Very high	19 Å²	19	86.4 Å²	86.4	10%	0.099	41%	0.413	C	S	.	.			trans	-71.8	148.2	179.5	-60.1	-179.8	0	0	0	112.1	F422 V424 D576 G580 D586 E587 H590	F422-L582 HydrophobicContact CZ-CD1 4.4Å; V424-L582 HydrophobicContact CG2-CD1 3.9Å; V424-L582 HydrophobicContact CG2-CG 4.38Å; D576-L582 HydrophobicContact CB-CD1 4.22Å; D576-L582 HydrophobicContact CB-CD2 3.9Å; G580-L582 PolarHBondContact O-N 3.23Å; L582-D586 HydrophobicContact CB-CB 4.16Å; L582-D586 HydrophobicContact CD2-CB 4.35Å; L582-E587 HydrophobicContact CB-CB 4.36Å; L582-H590 HydrophobicContact CD1-CB 4.14Å
583	L	93.6	Very high	93.3	Very high	128 Å²	128	85.4 Å²	85.4	67%	0.67	41%	0.408	S	S	*	.			trans	-71.9	161.4	167.9	-65.7	167.3	0	0	0	109.8	N585 D586 E587	L583-N585 VanDerWaalsContact C-N 3.29Å; L583-N585 PolarHBondContact O-N 3.32Å; L583-D586 PolarHBondContact O-N 3.43Å; L583-D586 VanDerWaalsContact O-N 3.12Å; L583-E587 WeakPolarHBondContact O-CB 3.31Å; L583-E587 PolarHBondContact O-N 3.15Å
584	Y	93.2	Very high	93.3	Very high	165 Å²	165	86.1 Å²	86.1	65%	0.647	41%	0.412	S	S	*	.	H	α-helix	trans	-52.3	-45.6	-177.4	176.6	-97.6	0	0	0	113.1	E587 Q588	Y584-E587 PolarHBondContact O-N 3.33Å; Y584-Q588 HydrophobicContact CD1-CG 4.48Å; Y584-Q588 HydrophobicContact CE1-CG 4.06Å; Y584-Q588 WeakPolarHBondContact O-CG 3.4Å; Y584-Q588 PolarHBondContact O-N 2.98Å
585	N	94.2	Very high	93.3	Very high	114 Å²	114	84.6 Å²	84.6	61%	0.61	41%	0.413	S	S	*	.	H	α-helix	trans	-67.1	-43.6	179.9	-68.9	-22.1	0	0	0	112.1	L583 E587 Q588 I589	L583-N585 VanDerWaalsContact C-N 3.29Å; L583-N585 PolarHBondContact O-N 3.32Å; N585-E587 VanDerWaalsContact C-N 3.29Å; N585-E587 PolarHBondContact O-N 3.42Å; N585-Q588 PolarHBondContact O-N 3.15Å; N585-Q588 VanDerWaalsContact O-N 3.17Å; N585-I589 WeakPolarHBondContact O-CG1 3.21Å; N585-I589 PolarHBondContact O-N 3.11Å
586	D	94.2	Very high	93.4	Very high	66 Å²	66	82.1 Å²	82.1	35%	0.353	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-36.1	177.7	-58.8	-34.4	0	0	0	111.2	L582 L583 I589 H590	L582-D586 HydrophobicContact CB-CB 4.16Å; L582-D586 HydrophobicContact CD2-CB 4.35Å; L583-D586 PolarHBondContact O-N 3.43Å; L583-D586 VanDerWaalsContact O-N 3.12Å; D586-I589 PolarHBondContact O-N 2.8Å; D586-H590 WeakPolarHBondContact O-CB 3.33Å; D586-H590 PolarHBondContact O-N 2.89Å
587	E	94.7	Very high	93.6	Very high	56 Å²	56	81.7 Å²	81.7	26%	0.262	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-42	173.2	-169.8	-173.1	138.4	0	0	111.8	F422 L582 L583 Y584 N585 H590 K591	F422-E587 HydrophobicContact CE1-CG 3.96Å; F422-E587 HydrophobicContact CE2-CG 4.06Å; F422-E587 HydrophobicContact CZ-CG 3.58Å; L582-E587 HydrophobicContact CB-CB 4.36Å; L583-E587 WeakPolarHBondContact O-CB 3.31Å; L583-E587 PolarHBondContact O-N 3.15Å; Y584-E587 PolarHBondContact O-N 3.33Å; N585-E587 VanDerWaalsContact C-N 3.29Å; N585-E587 PolarHBondContact O-N 3.42Å; E587-H590 PolarHBondContact O-N 3.27Å; E587-K591 WeakPolarHBondContact O-CG 3.48Å; E587-K591 PolarHBondContact O-N 3.33Å; E587-K591 VanDerWaalsContact OE1-CE 3.25Å; E587-K591 WeakPolarHBondContact OE1-CE 3.41Å; E587-K591 IonicContact OE1-NZ 2.85Å; E587-K591 PolarHBondContact OE1-NZ 2.92Å
588	Q	95.6	Very high	93.7	Very high	73 Å²	73	79.8 Å²	79.8	34%	0.341	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-40.6	175.3	-62.5	-42.6	-59	0	0	111.8	Y584 N585 K591 F592	Y584-Q588 HydrophobicContact CD1-CG 4.48Å; Y584-Q588 HydrophobicContact CE1-CG 4.06Å; Y584-Q588 WeakPolarHBondContact O-CG 3.4Å; Y584-Q588 PolarHBondContact O-N 2.98Å; N585-Q588 PolarHBondContact O-N 3.15Å; N585-Q588 VanDerWaalsContact O-N 3.17Å; Q588-K591 PolarHBondContact O-N 2.73Å; Q588-F592 WeakPolarHBondContact O-CB 3.32Å; Q588-F592 PolarHBondContact O-N 3.33Å
589	I	94.8	Very high	94	Very high	90 Å²	90	76.2 Å²	76.2	46%	0.462	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-48.6	176.1	-67.7	165.7	0	0	0	109.9	N585 D586 K591 F592 E593	N585-I589 WeakPolarHBondContact O-CG1 3.21Å; N585-I589 PolarHBondContact O-N 3.11Å; D586-I589 PolarHBondContact O-N 2.8Å; I589-K591 VanDerWaalsContact C-N 3.33Å; I589-K591 PolarHBondContact O-N 3.07Å; I589-F592 WeakPolarHBondContact O-CB 3.44Å; I589-F592 PolarHBondContact O-N 2.88Å; I589-E593 HydrophobicContact CG2-CG 4.36Å; I589-E593 WeakPolarHBondContact O-CG 3.2Å; I589-E593 PolarHBondContact O-N 3.31Å
590	H	95.8	Very high	94.5	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-43.2	177.5	-170.6	104.1	0	0	0	112.1	F422 D427 Y573 D576 L582 D586 E587 F592 E593 K594	F422-H590 AromaticContact CD2-CD2 3.96Å; F422-H590 HydrophobicContact CE2-CB 4.14Å; F422-H590 AromaticContact CE2-CD2 3.41Å; F422-H590 VanDerWaalsContact CE2-CD2 3.41Å; F422-H590 WeakPolarHBondContact CE2-CD2 3.32Å; F422-H590 AromaticContact CE2-CG 3.91Å; D427-H590 IonicContact OD2-NE2 2.98Å; Y573-H590 AromaticContact CD1-CE1 3.29Å; Y573-H590 WeakPolarHBondContact CD1-CE1 3.21Å; Y573-H590 AromaticContact CD1-ND1 3.55Å; Y573-H590 AromaticContact CE1-CD2 3.98Å; Y573-H590 AromaticContact CE1-CE1 3.3Å; Y573-H590 WeakPolarHBondContact CE1-CE1 3.21Å; Y573-H590 AromaticContact CE1-CG 3.93Å; Y573-H590 AromaticContact CE1-ND1 3.51Å; Y573-H590 AromaticContact CE1-NE2 3.63Å; Y573-H590 AromaticContact CE2-NE2 3.96Å; Y573-H590 AromaticContact CG-CE1 3.67Å; Y573-H590 AromaticContact CZ-CE1 3.67Å; Y573-H590 AromaticContact CZ-NE2 3.55Å; D576-H590 IonicContact OD2-CE1 3.24Å; D576-H590 IonicContact OD2-CG 2.73Å; D576-H590 IonicContact OD2-ND1 2.69Å; D576-H590 PolarHBondContact OD2-ND1 2.69Å; L582-H590 HydrophobicContact CD1-CB 4.14Å; D586-H590 WeakPolarHBondContact O-CB 3.33Å; D586-H590 PolarHBondContact O-N 2.89Å; E587-H590 PolarHBondContact O-N 3.27Å; H590-F592 VanDerWaalsContact C-N 3.3Å; H590-F592 PolarHBondContact O-N 2.94Å; H590-E593 PolarHBondContact O-N 2.68Å; H590-K594 WeakPolarHBondContact O-CB 3.19Å; H590-K594 PolarHBondContact O-N 3.31Å
591	K	94.6	Very high	95.2	Very high	70 Å²	70	71.2 Å²	71.2	30%	0.304	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-37.5	175.5	-74.5	173.8	-174.7	170.8	0	112.4	F422 E587 Q588 I589 K594 I595	F422-K591 HydrophobicContact CD2-CD 4.41Å; F422-K591 HydrophobicContact CD2-CG 3.62Å; F422-K591 HydrophobicContact CE2-CG 4.01Å; F422-K591 HydrophobicContact CG-CG 4.4Å; E587-K591 WeakPolarHBondContact O-CG 3.48Å; E587-K591 PolarHBondContact O-N 3.33Å; E587-K591 VanDerWaalsContact OE1-CE 3.25Å; E587-K591 WeakPolarHBondContact OE1-CE 3.41Å; E587-K591 IonicContact OE1-NZ 2.85Å; E587-K591 PolarHBondContact OE1-NZ 2.92Å; Q588-K591 PolarHBondContact O-N 2.73Å; I589-K591 VanDerWaalsContact C-N 3.33Å; I589-K591 PolarHBondContact O-N 3.07Å; K591-K594 WeakPolarHBondContact O-CB 3.35Å; K591-K594 PolarHBondContact O-N 2.88Å; K591-I595 PolarHBondContact O-N 2.72Å
592	F	95.9	Very high	95.6	Very high	127 Å²	127	68.2 Å²	68.2	56%	0.557	33%	0.33	S	S	*	.	H	α-helix	trans	-69.8	-44.3	176.9	-172.1	-110.1	0	0	0	111.7	Q588 I589 H590 K594 I595 H596	Q588-F592 WeakPolarHBondContact O-CB 3.32Å; Q588-F592 PolarHBondContact O-N 3.33Å; I589-F592 WeakPolarHBondContact O-CB 3.44Å; I589-F592 PolarHBondContact O-N 2.88Å; H590-F592 VanDerWaalsContact C-N 3.3Å; H590-F592 PolarHBondContact O-N 2.94Å; F592-K594 VanDerWaalsContact C-N 3.25Å; F592-K594 PolarHBondContact O-N 2.84Å; F592-I595 WeakPolarHBondContact O-CB 3.48Å; F592-I595 PolarHBondContact O-N 2.77Å; F592-I595 VanDerWaalsContact O-N 3.09Å; F592-H596 AromaticContact CD1-CD2 3.47Å; F592-H596 VanDerWaalsContact CD1-CD2 3.47Å; F592-H596 WeakPolarHBondContact CD1-CD2 3.49Å; F592-H596 AromaticContact CD1-NE2 3.53Å; F592-H596 AromaticContact CE1-CD2 3.35Å; F592-H596 WeakPolarHBondContact CE1-CD2 3.39Å; F592-H596 AromaticContact CE1-NE2 2.86Å; F592-H596 WeakPolarHBondContact CE1-NE2 3.43Å; F592-H596 AromaticContact CE2-NE2 3.77Å; F592-H596 AromaticContact CZ-CD2 3.82Å; F592-H596 AromaticContact CZ-NE2 2.99Å; F592-H596 WeakPolarHBondContact CZ-NE2 3.41Å; F592-H596 PolarHBondContact O-CD2 3.29Å; F592-H596 VanDerWaalsContact O-CD2 3.32Å; F592-H596 PolarHBondContact O-N 3.4Å
593	E	96.3	Very high	95.9	Very high	39 Å²	39	74 Å²	74	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-58.7	-37	173	-72	-176.3	156.1	0	0	112	I569 Q572 Y573 I589 H590 I595 H596 L597	I569-E593 HydrophobicContact CG2-CB 4.16Å; Q572-E593 WeakPolarHBondContact CG-OE2 3.14Å; Y573-E593 HydrophobicContact CE1-CB 4.03Å; I589-E593 HydrophobicContact CG2-CG 4.36Å; I589-E593 WeakPolarHBondContact O-CG 3.2Å; I589-E593 PolarHBondContact O-N 3.31Å; H590-E593 PolarHBondContact O-N 2.68Å; E593-I595 VanDerWaalsContact C-N 3.32Å; E593-I595 PolarHBondContact O-N 3Å; E593-H596 CarbonylContact O-C 3.42Å; E593-H596 WeakPolarHBondContact O-CB 3.39Å; E593-H596 PolarHBondContact O-N 2.82Å; E593-H596 VanDerWaalsContact O-N 3.16Å; E593-L597 WeakPolarHBondContact O-CB 2.96Å; E593-L597 PolarHBondContact O-N 2.8Å
594	K	95.8	Very high	96.1	Very high	17 Å²	17	68 Å²	68	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-40.6	174	-171.4	168	177.7	160.2	0	112.7	F418 P419 K421 D427 Y573 H590 K591 F592 L598	F418-K594 HydrophobicContact CE1-CD 4.46Å; F418-K594 HydrophobicContact CE1-CG 4Å; F418-K594 HydrophobicContact CZ-CD 4.49Å; F418-K594 HydrophobicContact CZ-CG 3.65Å; P419-K594 WeakPolarHBondContact O-CE 3.34Å; P419-K594 PolarHBondContact O-NZ 2.69Å; P419-K594 VanDerWaalsContact O-NZ 3.14Å; K421-K594 PolarHBondContact O-NZ 3.24Å; D427-K594 VanDerWaalsContact OD1-CE 3.31Å; D427-K594 WeakPolarHBondContact OD1-CE 3.32Å; D427-K594 IonicContact OD1-NZ 3.35Å; D427-K594 PolarHBondContact OD1-NZ 2.82Å; D427-K594 IonicContact OD2-NZ 2.63Å; D427-K594 PolarHBondContact OD2-NZ 3.48Å; Y573-K594 WeakPolarHBondContact OH-CA 3.46Å; Y573-K594 VanDerWaalsContact OH-CB 3.23Å; Y573-K594 WeakPolarHBondContact OH-CB 3.16Å; Y573-K594 PolarHBondContact OH-N 2.73Å; Y573-K594 VanDerWaalsContact OH-N 3.11Å; H590-K594 WeakPolarHBondContact O-CB 3.19Å; H590-K594 PolarHBondContact O-N 3.31Å; K591-K594 WeakPolarHBondContact O-CB 3.35Å; K591-K594 PolarHBondContact O-N 2.88Å; F592-K594 VanDerWaalsContact C-N 3.25Å; F592-K594 PolarHBondContact O-N 2.84Å; K594-L598 PolarHBondContact O-N 3.23Å
595	I	95.7	Very high	96.3	Very high	114 Å²	114	62.8 Å²	62.8	59%	0.585	30%	0.299	S	S	*	.	H	α-helix	trans	-67.7	-42.8	175.5	-63.3	167.4	0	0	0	110.2	K591 F592 E593 L598 S599	K591-I595 PolarHBondContact O-N 2.72Å; F592-I595 WeakPolarHBondContact O-CB 3.48Å; F592-I595 PolarHBondContact O-N 2.77Å; F592-I595 VanDerWaalsContact O-N 3.09Å; E593-I595 VanDerWaalsContact C-N 3.32Å; E593-I595 PolarHBondContact O-N 3Å; I595-L598 PolarHBondContact O-N 2.89Å; I595-S599 PolarHBondContact O-N 3Å
596	H	96.6	Very high	96.5	Very high	71 Å²	71	60.1 Å²	60.1	33%	0.329	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-42.7	176	-80.3	-63.6	0	0	0	112.7	I569 F592 E593 L598 S599 H600	I569-H596 HydrophobicContact CD1-CB 4.2Å; F592-H596 AromaticContact CD1-CD2 3.47Å; F592-H596 VanDerWaalsContact CD1-CD2 3.47Å; F592-H596 WeakPolarHBondContact CD1-CD2 3.49Å; F592-H596 AromaticContact CD1-NE2 3.53Å; F592-H596 AromaticContact CE1-CD2 3.35Å; F592-H596 WeakPolarHBondContact CE1-CD2 3.39Å; F592-H596 AromaticContact CE1-NE2 2.86Å; F592-H596 WeakPolarHBondContact CE1-NE2 3.43Å; F592-H596 AromaticContact CE2-NE2 3.77Å; F592-H596 AromaticContact CZ-CD2 3.82Å; F592-H596 AromaticContact CZ-NE2 2.99Å; F592-H596 WeakPolarHBondContact CZ-NE2 3.41Å; F592-H596 PolarHBondContact O-CD2 3.29Å; F592-H596 VanDerWaalsContact O-CD2 3.32Å; F592-H596 PolarHBondContact O-N 3.4Å; E593-H596 CarbonylContact O-C 3.42Å; E593-H596 WeakPolarHBondContact O-CB 3.39Å; E593-H596 PolarHBondContact O-N 2.82Å; E593-H596 VanDerWaalsContact O-N 3.16Å; H596-L598 VanDerWaalsContact C-N 3.34Å; H596-L598 PolarHBondContact O-N 2.97Å; H596-S599 WeakPolarHBondContact O-CB 3.31Å; H596-S599 PolarHBondContact O-N 3.5Å; H596-S599 VanDerWaalsContact O-N 3.14Å; H596-H600 PolarHBondContact O-CD2 3.31Å; H596-H600 VanDerWaalsContact O-CG 3.32Å; H596-H600 PolarHBondContact O-N 2.85Å
597	L	97.4	Very high	96.7	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-48.9	175.7	179.2	59.6	0	0	0	110.7	F430 I434 I566 I569 Y573 E593 S599 H600 I601	F430-L597 HydrophobicContact CD1-CD2 4.33Å; F430-L597 HydrophobicContact CE1-CD2 4.34Å; I434-L597 HydrophobicContact CG2-CD1 4.42Å; I566-L597 HydrophobicContact CB-CD1 4.42Å; I566-L597 HydrophobicContact CG1-CD1 4.21Å; I566-L597 HydrophobicContact CG2-CD1 3.8Å; I569-L597 HydrophobicContact CD1-CB 4.11Å; I569-L597 HydrophobicContact CG2-CB 4.38Å; Y573-L597 HydrophobicContact CE2-CD2 4.27Å; E593-L597 WeakPolarHBondContact O-CB 2.96Å; E593-L597 PolarHBondContact O-N 2.8Å; L597-S599 VanDerWaalsContact C-N 3.32Å; L597-S599 PolarHBondContact O-N 3.18Å; L597-H600 PolarHBondContact O-N 2.89Å; L597-I601 HydrophobicContact CD1-CD1 4.15Å; L597-I601 HydrophobicContact CD1-CG1 4.36Å; L597-I601 HydrophobicContact CG-CD1 3.97Å; L597-I601 VanDerWaalsContact O-CG1 3.25Å; L597-I601 WeakPolarHBondContact O-CG1 3.18Å; L597-I601 PolarHBondContact O-N 3.45Å
598	L	96.7	Very high	96.8	Very high	56 Å²	56	54.9 Å²	54.9	29%	0.293	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-42.8	176.4	-179.7	59.9	0	0	0	112.2	F418 K594 I595 H596 I601 K602	F418-L598 HydrophobicContact CD2-CB 4.34Å; F418-L598 HydrophobicContact CD2-CD1 3.78Å; F418-L598 HydrophobicContact CE2-CB 3.76Å; F418-L598 HydrophobicContact CE2-CD1 4.09Å; F418-L598 HydrophobicContact CE2-CG 4.42Å; F418-L598 HydrophobicContact CG-CD1 4.09Å; F418-L598 HydrophobicContact CZ-CB 3.88Å; K594-L598 PolarHBondContact O-N 3.23Å; I595-L598 PolarHBondContact O-N 2.89Å; H596-L598 VanDerWaalsContact C-N 3.34Å; H596-L598 PolarHBondContact O-N 2.97Å; L598-I601 PolarHBondContact O-N 3.1Å; L598-K602 WeakPolarHBondContact O-CG 3.28Å; L598-K602 PolarHBondContact O-N 2.79Å; L598-K602 VanDerWaalsContact O-N 3.08Å
599	S	97.9	Very high	96.9	Very high	54 Å²	54	57.2 Å²	57.2	38%	0.378	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-44.5	176.6	-176.9	0	0	0	0	111.9	I595 H596 L597 K602 R603	I595-S599 PolarHBondContact O-N 3Å; H596-S599 WeakPolarHBondContact O-CB 3.31Å; H596-S599 PolarHBondContact O-N 3.5Å; H596-S599 VanDerWaalsContact O-N 3.14Å; L597-S599 VanDerWaalsContact C-N 3.32Å; L597-S599 PolarHBondContact O-N 3.18Å; S599-K602 PolarHBondContact O-N 3.45Å; S599-R603 WeakPolarHBondContact O-CG 3.49Å; S599-R603 PolarHBondContact O-N 3Å
600	H	98.2	Very high	96.9	Very high	21 Å²	21	57.9 Å²	57.9	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-42.5	177.1	-66.6	-42.9	0	0	0	112.3	I566 H596 L597 K602 R603 V604	I566-H600 HydrophobicContact CD1-CB 3.9Å; I566-H600 HydrophobicContact CG1-CB 3.65Å; H596-H600 PolarHBondContact O-CD2 3.31Å; H596-H600 VanDerWaalsContact O-CG 3.32Å; H596-H600 PolarHBondContact O-N 2.85Å; L597-H600 PolarHBondContact O-N 2.89Å; H600-K602 VanDerWaalsContact C-N 3.33Å; H600-K602 PolarHBondContact O-N 3.14Å; H600-R603 PolarHBondContact O-N 2.79Å; H600-R603 VanDerWaalsContact O-N 3.16Å; H600-V604 WeakPolarHBondContact O-CG2 3.41Å; H600-V604 PolarHBondContact O-N 3.43Å
601	I	97.6	Very high	96.9	Very high	15 Å²	15	60.2 Å²	60.2	8%	0.077	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-44.4	174.9	-66.2	163	0	0	0	111	F430 I434 L597 L598 R603 V604 K605	F430-I601 HydrophobicContact CE1-CD1 4.01Å; F430-I601 HydrophobicContact CZ-CD1 4.22Å; I434-I601 HydrophobicContact CB-CD1 4.5Å; I434-I601 HydrophobicContact CD1-CD1 4.08Å; I434-I601 HydrophobicContact CG1-CD1 3.99Å; I434-I601 HydrophobicContact CG2-CD1 3.75Å; I434-I601 HydrophobicContact CG2-CG1 3.69Å; L597-I601 HydrophobicContact CD1-CD1 4.15Å; L597-I601 HydrophobicContact CD1-CG1 4.36Å; L597-I601 HydrophobicContact CG-CD1 3.97Å; L597-I601 VanDerWaalsContact O-CG1 3.25Å; L597-I601 WeakPolarHBondContact O-CG1 3.18Å; L597-I601 PolarHBondContact O-N 3.45Å; L598-I601 PolarHBondContact O-N 3.1Å; I601-R603 VanDerWaalsContact C-N 3.33Å; I601-R603 PolarHBondContact O-N 2.8Å; I601-V604 PolarHBondContact O-N 2.94Å; I601-K605 PolarHBondContact O-N 3.31Å; I601-K605 VanDerWaalsContact O-N 3.12Å
602	K	97.5	Very high	96.9	Very high	136 Å²	136	57.1 Å²	57.1	59%	0.591	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-42	176.4	-73.4	177.5	179.4	-178.6	0	111.8	L598 S599 H600 K605 S606	L598-K602 WeakPolarHBondContact O-CG 3.28Å; L598-K602 PolarHBondContact O-N 2.79Å; L598-K602 VanDerWaalsContact O-N 3.08Å; S599-K602 PolarHBondContact O-N 3.45Å; H600-K602 VanDerWaalsContact C-N 3.33Å; H600-K602 PolarHBondContact O-N 3.14Å; K602-K605 PolarHBondContact O-N 3.23Å; K602-S606 PolarHBondContact O-N 2.79Å
603	R	98.1	Very high	97	Very high	139 Å²	139	51.6 Å²	51.6	53%	0.525	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-38.5	176.7	-71.2	175.1	67.7	166.5	4.7	112.7	L562 S599 H600 I601 L607	L562-R603 HydrophobicContact CD1-CB 4.17Å; L562-R603 HydrophobicContact CD2-CB 4.05Å; S599-R603 WeakPolarHBondContact O-CG 3.49Å; S599-R603 PolarHBondContact O-N 3Å; H600-R603 PolarHBondContact O-N 2.79Å; H600-R603 VanDerWaalsContact O-N 3.16Å; I601-R603 VanDerWaalsContact C-N 3.33Å; I601-R603 PolarHBondContact O-N 2.8Å; R603-L607 VanDerWaalsContact O-CB 3.23Å; R603-L607 WeakPolarHBondContact O-CB 2.98Å; R603-L607 PolarHBondContact O-N 3.05Å
604	V	98.3	Very high	96.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-50.1	173.2	165.4	0	0	0	0	110.2	V438 Y441 M559 L562 I566 H600 I601 F608	V438-V604 HydrophobicContact CG1-CG1 4.42Å; V438-V604 HydrophobicContact CG1-CG2 4.09Å; V438-V604 HydrophobicContact CG2-CG1 4.47Å; V438-V604 HydrophobicContact CG2-CG2 4.43Å; Y441-V604 HydrophobicContact CD2-CG1 3.84Å; Y441-V604 HydrophobicContact CE2-CG1 4.36Å; Y441-V604 HydrophobicContact CG-CG1 3.98Å; M559-V604 HydrophobicContact CE-CG1 4.02Å; M559-V604 HydrophobicContact SD-CB 4.42Å; M559-V604 HydrophobicContact SD-CG1 3.87Å; M559-V604 HydrophobicContact SD-CG2 4.13Å; L562-V604 HydrophobicContact CB-CG2 3.81Å; L562-V604 HydrophobicContact CD1-CG2 3.86Å; L562-V604 HydrophobicContact CG-CG2 4.38Å; I566-V604 HydrophobicContact CD1-CG2 3.98Å; H600-V604 WeakPolarHBondContact O-CG2 3.41Å; H600-V604 PolarHBondContact O-N 3.43Å; I601-V604 PolarHBondContact O-N 2.94Å; V604-F608 VanDerWaalsContact O-CB 3.31Å; V604-F608 WeakPolarHBondContact O-CB 3.36Å; V604-F608 PolarHBondContact O-N 3.15Å
605	K	97.2	Very high	96.8	Very high	56 Å²	56	56.6 Å²	56.6	24%	0.243	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-42.9	-179.2	-69.2	-173.8	175.3	-168.4	0	113.2	T415 I601 K602 F608 R609	T415-K605 VanDerWaalsContact CB-NZ 3.34Å; T415-K605 WeakPolarHBondContact OG1-CE 3.43Å; T415-K605 PolarHBondContact OG1-NZ 2.93Å; I601-K605 PolarHBondContact O-N 3.31Å; I601-K605 VanDerWaalsContact O-N 3.12Å; K602-K605 PolarHBondContact O-N 3.23Å; K605-F608 PolarHBondContact O-N 3.2Å; K605-R609 WeakPolarHBondContact O-CB 3.38Å; K605-R609 WeakPolarHBondContact O-CG 3.35Å; K605-R609 PolarHBondContact O-N 3.37Å
606	S	97.4	Very high	96.8	Very high	58 Å²	58	51.2 Å²	51.2	41%	0.406	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-47.7	177.3	173.6	0	0	0	0	111.5	K602 F608 R609 D610	K602-S606 PolarHBondContact O-N 2.79Å; S606-F608 PolarHBondContact O-N 2.99Å; S606-R609 PolarHBondContact O-N 3.49Å; S606-D610 WeakPolarHBondContact CA-OD2 3.14Å; S606-D610 WeakPolarHBondContact CB-OD2 3.47Å; S606-D610 WeakPolarHBondContact O-CA 3.32Å; S606-D610 VanDerWaalsContact O-CB 3.22Å; S606-D610 WeakPolarHBondContact O-CB 3.48Å; S606-D610 VanDerWaalsContact O-CG 3.31Å; S606-D610 PolarHBondContact O-N 2.84Å; S606-D610 PolarHBondContact OG-OD2 2.94Å
607	L	97.9	Very high	96.7	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.052	25%	0.246	C	C	.	.	I	π-helix	trans	-55.6	-42.7	174.5	175.8	63.8	0	0	0	111.7	K558 M559 L562 R603 E611 C612	K558-L607 HydrophobicContact CB-CD1 4.34Å; K558-L607 HydrophobicContact CB-CD2 3.65Å; K558-L607 HydrophobicContact CD-CD1 3.82Å; M559-L607 HydrophobicContact CB-CD2 4.15Å; M559-L607 HydrophobicContact CE-CD2 4.09Å; M559-L607 HydrophobicContact CE-CG 4.43Å; L562-L607 HydrophobicContact CD1-CD2 4.04Å; R603-L607 VanDerWaalsContact O-CB 3.23Å; R603-L607 WeakPolarHBondContact O-CB 2.98Å; R603-L607 PolarHBondContact O-N 3.05Å; L607-E611 HydrophobicContact CD1-CB 4.12Å; L607-E611 HydrophobicContact CD1-CG 4.09Å; L607-E611 WeakPolarHBondContact CD1-OE1 3.41Å; L607-E611 WeakPolarHBondContact O-CB 3.11Å; L607-E611 PolarHBondContact O-N 2.84Å; L607-C612 PolarHBondContact O-N 2.82Å; L607-C612 VanDerWaalsContact O-N 3.15Å; L607-C612 PolarHBondContact O-SG 3.1Å
608	F	97.8	Very high	96.6	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	27%	0.268	C	S	.	.	I	π-helix	trans	-64.3	-55.1	178.1	178.1	-106.5	0	0	0	112.4	F410 E412 Y441 I444 V445 L448 M559 V604 K605 S606 C612 V613	F410-F608 AromaticContact CD2-CZ 3.88Å; F410-F608 HydrophobicContact CD2-CZ 3.88Å; F410-F608 AromaticContact CE2-CE1 3.92Å; F410-F608 HydrophobicContact CE2-CE1 3.92Å; F410-F608 HydrophobicContact CE2-CE2 4.47Å; F410-F608 AromaticContact CE2-CZ 3.39Å; F410-F608 HydrophobicContact CE2-CZ 3.39Å; F410-F608 HydrophobicContact CZ-CE1 4.44Å; F410-F608 AromaticContact CZ-CZ 3.86Å; F410-F608 HydrophobicContact CZ-CZ 3.86Å; E412-F608 HydrophobicContact CB-CE1 4.5Å; E412-F608 HydrophobicContact CG-CE1 3.96Å; Y441-F608 HydrophobicContact CD1-CB 3.99Å; Y441-F608 AromaticContact CD1-CD1 3.86Å; Y441-F608 HydrophobicContact CD1-CD1 3.86Å; Y441-F608 AromaticContact CD1-CD2 3.72Å; Y441-F608 HydrophobicContact CD1-CD2 3.72Å; Y441-F608 HydrophobicContact CD1-CE1 4.21Å; Y441-F608 HydrophobicContact CD1-CE2 4.09Å; Y441-F608 AromaticContact CD1-CG 3.57Å; Y441-F608 HydrophobicContact CD1-CG 3.57Å; Y441-F608 HydrophobicContact CD1-CZ 4.3Å; Y441-F608 HydrophobicContact CE1-CB 4.13Å; Y441-F608 AromaticContact CE1-CD1 3.47Å; Y441-F608 HydrophobicContact CE1-CD1 3.47Å; Y441-F608 VanDerWaalsContact CE1-CD1 3.47Å; Y441-F608 HydrophobicContact CE1-CD2 4.23Å; Y441-F608 AromaticContact CE1-CE1 3.83Å; Y441-F608 HydrophobicContact CE1-CE1 3.83Å; Y441-F608 AromaticContact CE1-CG 3.67Å; Y441-F608 HydrophobicContact CE1-CG 3.67Å; Y441-F608 HydrophobicContact CE1-CZ 4.32Å; I444-F608 HydrophobicContact CB-CE2 4.13Å; I444-F608 HydrophobicContact CG2-CE2 3.62Å; I444-F608 HydrophobicContact CG2-CZ 3.95Å; V445-F608 HydrophobicContact CG2-CD2 3.8Å; V445-F608 HydrophobicContact CG2-CE2 4.39Å; L448-F608 HydrophobicContact CD1-CE2 4.38Å; M559-F608 HydrophobicContact CE-CB 4.38Å; V604-F608 VanDerWaalsContact O-CB 3.31Å; V604-F608 WeakPolarHBondContact O-CB 3.36Å; V604-F608 PolarHBondContact O-N 3.15Å; K605-F608 PolarHBondContact O-N 3.2Å; S606-F608 PolarHBondContact O-N 2.99Å; F608-C612 WeakPolarHBondContact O-CB 3.43Å; F608-C612 PolarHBondContact O-N 3.29Å; F608-V613 HydrophobicContact CD1-CG2 4.05Å; F608-V613 HydrophobicContact CD2-CG2 4.26Å; F608-V613 HydrophobicContact CE1-CG2 3.68Å; F608-V613 HydrophobicContact CE2-CG2 3.91Å; F608-V613 HydrophobicContact CG-CG2 4.35Å; F608-V613 HydrophobicContact CZ-CG2 3.62Å; F608-V613 WeakPolarHBondContact O-CG2 3.36Å; F608-V613 PolarHBondContact O-N 3.36Å
609	R	96.8	Very high	96.5	Very high	123 Å²	123	55 Å²	55	46%	0.464	26%	0.255	S	S	.	.	I	π-helix	trans	-73.1	-48.2	-173.7	-67.3	179	-177.7	-170.3	-4.5	112.3	E412 K605 S606 Q614	E412-R609 IonicContact OE1-CZ 3.17Å; E412-R609 VanDerWaalsContact OE1-CZ 3.23Å; E412-R609 IonicContact OE1-NE 3.94Å; E412-R609 PolarHBondContact OE1-NE 2.69Å; E412-R609 IonicContact OE1-NH2 2.82Å; E412-R609 PolarHBondContact OE1-NH2 2.73Å; E412-R609 IonicContact OE2-CZ 3.68Å; E412-R609 IonicContact OE2-NE 2.78Å; E412-R609 PolarHBondContact OE2-NE 3.36Å; E412-R609 IonicContact OE2-NH2 2.82Å; E412-R609 PolarHBondContact OE2-NH2 3.37Å; K605-R609 WeakPolarHBondContact O-CB 3.38Å; K605-R609 WeakPolarHBondContact O-CG 3.35Å; K605-R609 PolarHBondContact O-N 3.37Å; S606-R609 PolarHBondContact O-N 3.49Å; R609-Q614 PolarHBondContact O-N 3.2Å
610	D	95.6	Very high	96.3	Very high	103 Å²	103	52.8 Å²	52.8	55%	0.551	24%	0.24	S	C	*	.	I	π-helix	trans	-87.3	-30	-165.4	-48.9	-31.7	0	0	0	112	S606 Q614	S606-D610 WeakPolarHBondContact CA-OD2 3.14Å; S606-D610 WeakPolarHBondContact CB-OD2 3.47Å; S606-D610 WeakPolarHBondContact O-CA 3.32Å; S606-D610 VanDerWaalsContact O-CB 3.22Å; S606-D610 WeakPolarHBondContact O-CB 3.48Å; S606-D610 VanDerWaalsContact O-CG 3.31Å; S606-D610 PolarHBondContact O-N 2.84Å; S606-D610 PolarHBondContact OG-OD2 2.94Å; D610-Q614 WeakPolarHBondContact O-CB 3.39Å
611	E	94.8	Very high	96	Very high	50 Å²	50	54.3 Å²	54.3	23%	0.234	26%	0.256	C	S	.	.	I	π-helix	trans	-101.2	-57.8	175.1	-58.5	-167.1	-133.2	0	0	111.7	K558 L607 R615	K558-E611 VanDerWaalsContact NZ-CD 3.29Å; K558-E611 IonicContact NZ-OE1 2.79Å; K558-E611 PolarHBondContact NZ-OE1 3.27Å; K558-E611 IonicContact NZ-OE2 3.41Å; K558-E611 PolarHBondContact NZ-OE2 2.95Å; L607-E611 HydrophobicContact CD1-CB 4.12Å; L607-E611 HydrophobicContact CD1-CG 4.09Å; L607-E611 WeakPolarHBondContact CD1-OE1 3.41Å; L607-E611 WeakPolarHBondContact O-CB 3.11Å; L607-E611 PolarHBondContact O-N 2.84Å; E611-R615 VanDerWaalsContact O-CB 3.32Å; E611-R615 WeakPolarHBondContact O-CB 3.28Å; E611-R615 WeakPolarHBondContact O-CD 3.5Å; E611-R615 WeakPolarHBondContact O-CG 3.25Å; E611-R615 PolarHBondContact O-N 2.9Å; E611-R615 IonicContact OE2-CZ 3.8Å; E611-R615 IonicContact OE2-NH1 3.89Å; E611-R615 IonicContact OE2-NH2 3.78Å; E611-R615 PolarHBondContact OE2-NH2 3.36Å; E611-R615 VanDerWaalsContact OE2-NH2 3.15Å
612	C	96.3	Very high	95.8	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.034	27%	0.265	C	S	.	.	I	π-helix	trans	-74	-55.2	-167	-53.4	0	0	0	0	112.5	V445 S555 L607 F608 Y616	V445-C612 HydrophobicContact CG2-CB 4.28Å; S555-C612 VanDerWaalsContact CB-SG 3.59Å; L607-C612 PolarHBondContact O-N 2.82Å; L607-C612 VanDerWaalsContact O-N 3.15Å; L607-C612 PolarHBondContact O-SG 3.1Å; F608-C612 WeakPolarHBondContact O-CB 3.43Å; F608-C612 PolarHBondContact O-N 3.29Å; C612-Y616 WeakPolarHBondContact O-CB 2.97Å; C612-Y616 PolarHBondContact O-N 3.28Å; C612-Y616 VanDerWaalsContact O-N 3.12Å
613	V	96.2	Very high	95.6	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	24%	0.238	C	C	.	.	I	π-helix	trans	-68.4	-39.4	-176.8	173.4	0	0	0	0	111	F410 L448 F608 Y616 K617	F410-V613 HydrophobicContact CE1-CG2 4.24Å; F410-V613 HydrophobicContact CE2-CG2 4.25Å; F410-V613 HydrophobicContact CZ-CB 4.47Å; F410-V613 HydrophobicContact CZ-CG1 4.13Å; F410-V613 HydrophobicContact CZ-CG2 3.51Å; L448-V613 HydrophobicContact CD1-CG2 4.1Å; F608-V613 HydrophobicContact CD1-CG2 4.05Å; F608-V613 HydrophobicContact CD2-CG2 4.26Å; F608-V613 HydrophobicContact CE1-CG2 3.68Å; F608-V613 HydrophobicContact CE2-CG2 3.91Å; F608-V613 HydrophobicContact CG-CG2 4.35Å; F608-V613 HydrophobicContact CZ-CG2 3.62Å; F608-V613 WeakPolarHBondContact O-CG2 3.36Å; F608-V613 PolarHBondContact O-N 3.36Å; V613-Y616 PolarHBondContact O-N 3.21Å; V613-K617 HydrophobicContact CG1-CD 4.12Å; V613-K617 HydrophobicContact CG1-CG 4.41Å; V613-K617 WeakPolarHBondContact O-CG 3.42Å; V613-K617 PolarHBondContact O-N 3.35Å
614	Q	95	Very high	95.3	Very high	85 Å²	85	48.4 Å²	48.4	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-49.8	179	-176	55.6	28.6	0	0	112	R609 D610 Y616 K617 E618	R609-Q614 PolarHBondContact O-N 3.2Å; D610-Q614 WeakPolarHBondContact O-CB 3.39Å; Q614-Y616 VanDerWaalsContact C-N 3.27Å; Q614-Y616 PolarHBondContact O-N 3.01Å; Q614-K617 PolarHBondContact O-N 3.42Å; Q614-K617 VanDerWaalsContact O-N 3.15Å; Q614-E618 WeakPolarHBondContact CG-OE1 3.47Å; Q614-E618 PolarHBondContact NE2-OE1 3.36Å; Q614-E618 WeakPolarHBondContact O-CG 3.38Å; Q614-E618 PolarHBondContact O-N 3.08Å
615	R	94.4	Very high	95	Very high	76 Å²	76	52.4 Å²	52.4	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-36.7	175.2	-72.4	177.1	-172.4	148.2	14.2	112.7	D553 S555 E611 L619	D553-R615 IonicContact OD1-NH1 3.23Å; D553-R615 PolarHBondContact OD1-NH1 3.19Å; D553-R615 IonicContact OD2-NH1 2.94Å; D553-R615 PolarHBondContact OD2-NH1 2.89Å; S555-R615 PolarHBondContact OG-NH1 2.95Å; E611-R615 VanDerWaalsContact O-CB 3.32Å; E611-R615 WeakPolarHBondContact O-CB 3.28Å; E611-R615 WeakPolarHBondContact O-CD 3.5Å; E611-R615 WeakPolarHBondContact O-CG 3.25Å; E611-R615 PolarHBondContact O-N 2.9Å; E611-R615 IonicContact OE2-CZ 3.8Å; E611-R615 IonicContact OE2-NH1 3.89Å; E611-R615 IonicContact OE2-NH2 3.78Å; E611-R615 PolarHBondContact OE2-NH2 3.36Å; E611-R615 VanDerWaalsContact OE2-NH2 3.15Å; R615-L619 PolarHBondContact O-N 3.45Å; R615-L619 VanDerWaalsContact O-N 3.09Å
616	Y	95.7	Very high	94.8	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-45.4	175.3	-175.7	-112.7	0	0	0	111.8	A335 L408 P409 L448 R452 L455 C612 V613 Q614 E618 L619 L620	A335-Y616 PolarHBondContact O-OH 3.39Å; L408-Y616 HydrophobicContact CD2-CD1 3.97Å; L408-Y616 HydrophobicContact CD2-CE1 4.04Å; P409-Y616 HydrophobicContact CG-CE1 4.15Å; L448-Y616 HydrophobicContact CD2-CD1 3.63Å; L448-Y616 HydrophobicContact CD2-CD2 4.05Å; L448-Y616 HydrophobicContact CD2-CE1 3.83Å; L448-Y616 HydrophobicContact CD2-CE2 4.25Å; L448-Y616 HydrophobicContact CD2-CG 3.74Å; R452-Y616 HydrophobicContact CG-CD2 3.7Å; R452-Y616 HydrophobicContact CG-CE2 4.35Å; L455-Y616 HydrophobicContact CD1-CE2 3.93Å; C612-Y616 WeakPolarHBondContact O-CB 2.97Å; C612-Y616 PolarHBondContact O-N 3.28Å; C612-Y616 VanDerWaalsContact O-N 3.12Å; V613-Y616 PolarHBondContact O-N 3.21Å; Q614-Y616 VanDerWaalsContact C-N 3.27Å; Q614-Y616 PolarHBondContact O-N 3.01Å; Y616-E618 VanDerWaalsContact C-N 3.33Å; Y616-E618 PolarHBondContact O-N 3.46Å; Y616-L619 PolarHBondContact O-N 3.32Å; Y616-L620 HydrophobicContact CD1-CD1 3.83Å; Y616-L620 HydrophobicContact CD1-CG 4.2Å; Y616-L620 HydrophobicContact CE1-CD1 3.42Å; Y616-L620 VanDerWaalsContact CE1-CD1 3.42Å; Y616-L620 HydrophobicContact CE1-CD2 4.29Å; Y616-L620 HydrophobicContact CE1-CG 3.89Å; Y616-L620 HydrophobicContact CE2-CD2 4.45Å; Y616-L620 HydrophobicContact CE2-CG 4.47Å; Y616-L620 WeakPolarHBondContact O-CG 3.3Å; Y616-L620 PolarHBondContact O-N 2.93Å
617	K	94.6	Very high	94.7	Very high	101 Å²	101	47.8 Å²	47.8	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-39	176.7	-75.2	175.6	177	178.9	0	112.6	L408 V613 Q614 L620 A621	L408-K617 HydrophobicContact CD2-CG 4.41Å; V613-K617 HydrophobicContact CG1-CD 4.12Å; V613-K617 HydrophobicContact CG1-CG 4.41Å; V613-K617 WeakPolarHBondContact O-CG 3.42Å; V613-K617 PolarHBondContact O-N 3.35Å; Q614-K617 PolarHBondContact O-N 3.42Å; Q614-K617 VanDerWaalsContact O-N 3.15Å; K617-L620 PolarHBondContact O-N 3.16Å; K617-A621 PolarHBondContact O-N 3.29Å
618	E	93.8	Very high	94.4	Very high	100 Å²	100	51.3 Å²	51.3	47%	0.467	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-46.9	175	-73.6	165.1	-171.2	0	0	111.2	Q614 Y616 L620 A621 S622	Q614-E618 WeakPolarHBondContact CG-OE1 3.47Å; Q614-E618 PolarHBondContact NE2-OE1 3.36Å; Q614-E618 WeakPolarHBondContact O-CG 3.38Å; Q614-E618 PolarHBondContact O-N 3.08Å; Y616-E618 VanDerWaalsContact C-N 3.33Å; Y616-E618 PolarHBondContact O-N 3.46Å; E618-L620 PolarHBondContact O-N 3.34Å; E618-A621 WeakPolarHBondContact O-CB 3.37Å; E618-A621 PolarHBondContact O-N 3.04Å; E618-S622 PolarHBondContact O-N 3.25Å; E618-S622 VanDerWaalsContact O-N 3.07Å; E618-S622 PolarHBondContact O-OG 3.33Å
619	L	95.1	Very high	94.2	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-45.5	173.7	179.8	63.4	0	0	0	111.2	R452 L455 L456 L546 R615 Y616 A621 S622 T623 W626	R452-L619 HydrophobicContact CB-CD2 3.81Å; R452-L619 HydrophobicContact CG-CD2 3.69Å; L455-L619 HydrophobicContact CB-CD2 4.07Å; L455-L619 HydrophobicContact CD1-CD2 3.93Å; L455-L619 HydrophobicContact CD1-CG 4.43Å; L456-L619 HydrophobicContact CD2-CD1 3.69Å; L456-L619 HydrophobicContact CG-CD1 4.16Å; L456-L619 HydrophobicContact CG-CD2 4.21Å; L546-L619 HydrophobicContact CD1-CD1 3.95Å; R615-L619 PolarHBondContact O-N 3.45Å; R615-L619 VanDerWaalsContact O-N 3.09Å; Y616-L619 PolarHBondContact O-N 3.32Å; L619-A621 VanDerWaalsContact C-N 3.26Å; L619-A621 PolarHBondContact O-N 3.12Å; L619-S622 WeakPolarHBondContact O-CB 3.39Å; L619-S622 PolarHBondContact O-N 3.46Å; L619-S622 VanDerWaalsContact O-N 3.1Å; L619-T623 HydrophobicContact CD1-CG2 3.99Å; L619-T623 HydrophobicContact CG-CG2 4.06Å; L619-T623 VanDerWaalsContact O-CG2 3.27Å; L619-T623 WeakPolarHBondContact O-CG2 3.44Å; L619-T623 PolarHBondContact O-N 3.42Å; L619-T623 PolarHBondContact O-OG1 2.88Å; L619-W626 HydrophobicContact CD1-CH2 4.3Å; L619-W626 HydrophobicContact CD1-CZ3 4.35Å
620	L	93.6	Very high	94.2	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-56.9	-41.6	176.9	-74	-176.9	0	0	0	111.8	A335 L408 L455 Y616 K617 E618 T623 R624	A335-L620 HydrophobicContact CB-CD2 3.43Å; A335-L620 VanDerWaalsContact CB-CD2 3.43Å; L408-L620 HydrophobicContact CD2-CD1 4.31Å; L455-L620 HydrophobicContact CD1-CD2 4.05Å; Y616-L620 HydrophobicContact CD1-CD1 3.83Å; Y616-L620 HydrophobicContact CD1-CG 4.2Å; Y616-L620 HydrophobicContact CE1-CD1 3.42Å; Y616-L620 VanDerWaalsContact CE1-CD1 3.42Å; Y616-L620 HydrophobicContact CE1-CD2 4.29Å; Y616-L620 HydrophobicContact CE1-CG 3.89Å; Y616-L620 HydrophobicContact CE2-CD2 4.45Å; Y616-L620 HydrophobicContact CE2-CG 4.47Å; Y616-L620 WeakPolarHBondContact O-CG 3.3Å; Y616-L620 PolarHBondContact O-N 2.93Å; K617-L620 PolarHBondContact O-N 3.16Å; E618-L620 PolarHBondContact O-N 3.34Å; L620-T623 VanDerWaalsContact CA-OG1 3.29Å; L620-T623 WeakPolarHBondContact CA-OG1 3.35Å; L620-T623 PolarHBondContact O-N 3.11Å; L620-T623 PolarHBondContact O-OG1 2.65Å; L620-R624 VanDerWaalsContact O-CG 3.31Å; L620-R624 WeakPolarHBondContact O-CG 3.42Å; L620-R624 PolarHBondContact O-N 3.42Å
621	A	92.6	Very high	94.1	Very high	53 Å²	53	43.4 Å²	43.4	44%	0.438	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-45.1	175.5	0	0	0	0	0	112	K617 E618 L619 R624 T625	K617-A621 PolarHBondContact O-N 3.29Å; E618-A621 WeakPolarHBondContact O-CB 3.37Å; E618-A621 PolarHBondContact O-N 3.04Å; L619-A621 VanDerWaalsContact C-N 3.26Å; L619-A621 PolarHBondContact O-N 3.12Å; A621-R624 PolarHBondContact O-N 3.45Å; A621-T625 PolarHBondContact O-N 2.83Å; A621-T625 PolarHBondContact O-OG1 2.91Å
622	S	93.7	Very high	94	Very high	38 Å²	38	45.4 Å²	45.4	27%	0.266	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-46.7	174.6	-61	0	0	0	0	112.1	E618 L619 R624 T625 W626	E618-S622 PolarHBondContact O-N 3.25Å; E618-S622 VanDerWaalsContact O-N 3.07Å; E618-S622 PolarHBondContact O-OG 3.33Å; L619-S622 WeakPolarHBondContact O-CB 3.39Å; L619-S622 PolarHBondContact O-N 3.46Å; L619-S622 VanDerWaalsContact O-N 3.1Å; S622-R624 VanDerWaalsContact C-N 3.27Å; S622-R624 PolarHBondContact O-N 2.87Å; S622-T625 WeakPolarHBondContact O-CB 3.47Å; S622-T625 PolarHBondContact O-N 3.15Å; S622-T625 VanDerWaalsContact O-N 3.11Å; S622-W626 VanDerWaalsContact O-CD1 3.26Å; S622-W626 PolarHBondContact O-N 3.34Å
623	T	93	Very high	93.9	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-29.7	-178.6	60.9	0	0	0	0	113.4	L455 Y459 L619 L620 W626 S627	L455-T623 HydrophobicContact CD2-CG2 4.4Å; Y459-T623 HydrophobicContact CD2-CG2 3.63Å; Y459-T623 HydrophobicContact CE2-CG2 3.38Å; Y459-T623 PolarHBondContact OH-O 3.03Å; L619-T623 HydrophobicContact CD1-CG2 3.99Å; L619-T623 HydrophobicContact CG-CG2 4.06Å; L619-T623 VanDerWaalsContact O-CG2 3.27Å; L619-T623 WeakPolarHBondContact O-CG2 3.44Å; L619-T623 PolarHBondContact O-N 3.42Å; L619-T623 PolarHBondContact O-OG1 2.88Å; L620-T623 VanDerWaalsContact CA-OG1 3.29Å; L620-T623 WeakPolarHBondContact CA-OG1 3.35Å; L620-T623 PolarHBondContact O-N 3.11Å; L620-T623 PolarHBondContact O-OG1 2.65Å; T623-W626 HydrophobicContact CG2-CE3 3.91Å; T623-W626 HydrophobicContact CG2-CZ3 3.99Å; T623-W626 PolarHBondContact O-N 3.24Å; T623-S627 VanDerWaalsContact O-CB 3.29Å; T623-S627 WeakPolarHBondContact O-CB 3.25Å; T623-S627 PolarHBondContact O-N 2.84Å; T623-S627 PolarHBondContact O-OG 2.99Å
624	R	90.9	Very high	93.8	Very high	122 Å²	122	44.9 Å²	44.9	46%	0.46	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-45.1	172.7	-73.3	169.6	-174.6	-169.8	-1.7	111.6	L620 A621 S622 S627 S628	L620-R624 VanDerWaalsContact O-CG 3.31Å; L620-R624 WeakPolarHBondContact O-CG 3.42Å; L620-R624 PolarHBondContact O-N 3.42Å; A621-R624 PolarHBondContact O-N 3.45Å; S622-R624 VanDerWaalsContact C-N 3.27Å; S622-R624 PolarHBondContact O-N 2.87Å; R624-S627 PolarHBondContact O-N 3.36Å; R624-S628 PolarHBondContact O-N 3.12Å; R624-S628 VanDerWaalsContact O-N 3.11Å
625	T	91.8	Very high	93.7	Very high	87 Å²	87	43.8 Å²	43.8	53%	0.534	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-46.3	175.4	-53	0	0	0	0	110.3	A621 S622 S628 V629	A621-T625 PolarHBondContact O-N 2.83Å; A621-T625 PolarHBondContact O-OG1 2.91Å; S622-T625 WeakPolarHBondContact O-CB 3.47Å; S622-T625 PolarHBondContact O-N 3.15Å; S622-T625 VanDerWaalsContact O-N 3.11Å; T625-S628 PolarHBondContact O-N 3.49Å; T625-V629 WeakPolarHBondContact O-CG2 3.35Å; T625-V629 PolarHBondContact O-N 3.19Å; T625-V629 VanDerWaalsContact O-N 3.16Å
626	W	94.8	Very high	93.6	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-48.6	177.3	-57.2	-14.9	0	0	0	111.5	L456 Y459 M463 L539 Q542 Q543 L546 L619 S622 T623 S628 V629 L630	L456-W626 HydrophobicContact CD2-CH2 4.11Å; L456-W626 HydrophobicContact CD2-CZ3 4.25Å; Y459-W626 HydrophobicContact CD1-CB 4.06Å; Y459-W626 HydrophobicContact CD1-CE3 4.15Å; Y459-W626 HydrophobicContact CD2-CE3 4.07Å; Y459-W626 HydrophobicContact CD2-CZ3 4.44Å; Y459-W626 HydrophobicContact CE1-CB 4.13Å; Y459-W626 AromaticContact CG-CE3 3.77Å; Y459-W626 HydrophobicContact CG-CE3 3.77Å; Y459-W626 HydrophobicContact CG-CZ3 4.35Å; M463-W626 HydrophobicContact CE-CB 4.32Å; M463-W626 HydrophobicContact CE-CD2 3.93Å; M463-W626 HydrophobicContact CE-CE3 4.04Å; M463-W626 HydrophobicContact CE-CG 4.08Å; L539-W626 HydrophobicContact CD2-CG 4.44Å; Q542-W626 HydrophobicContact CB-CZ2 4.17Å; Q543-W626 HydrophobicContact CB-CH2 3.88Å; Q543-W626 HydrophobicContact CB-CZ2 4.28Å; Q543-W626 HydrophobicContact CB-CZ3 4.33Å; Q543-W626 HydrophobicContact CG-CH2 4.15Å; Q543-W626 HydrophobicContact CG-CZ3 4.23Å; L546-W626 HydrophobicContact CD1-CH2 3.69Å; L546-W626 HydrophobicContact CD1-CZ2 3.84Å; L619-W626 HydrophobicContact CD1-CH2 4.3Å; L619-W626 HydrophobicContact CD1-CZ3 4.35Å; S622-W626 VanDerWaalsContact O-CD1 3.26Å; S622-W626 PolarHBondContact O-N 3.34Å; T623-W626 HydrophobicContact CG2-CE3 3.91Å; T623-W626 HydrophobicContact CG2-CZ3 3.99Å; T623-W626 PolarHBondContact O-N 3.24Å; W626-S628 VanDerWaalsContact C-N 3.34Å; W626-S628 PolarHBondContact O-N 3.13Å; W626-V629 PolarHBondContact O-N 3.23Å; W626-L630 HydrophobicContact CB-CD1 4.38Å; W626-L630 WeakPolarHBondContact O-CB 3.34Å; W626-L630 WeakPolarHBondContact O-CG 3.48Å; W626-L630 PolarHBondContact O-N 3.04Å
627	S	93.4	Very high	93.4	Very high	15 Å²	15	46 Å²	46	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-53.3	-47.6	177.2	-92.8	0	0	0	0	113.1	Q333 Y459 T623 R624 L631	Q333-S627 WeakPolarHBondContact CG-OG 3.49Å; Y459-S627 WeakPolarHBondContact CE1-OG 3.41Å; Y459-S627 PolarHBondContact OH-OG 2.95Å; T623-S627 VanDerWaalsContact O-CB 3.29Å; T623-S627 WeakPolarHBondContact O-CB 3.25Å; T623-S627 PolarHBondContact O-N 2.84Å; T623-S627 PolarHBondContact O-OG 2.99Å; R624-S627 PolarHBondContact O-N 3.36Å; S627-L631 WeakPolarHBondContact O-CB 3.29Å; S627-L631 PolarHBondContact O-N 2.84Å
628	S	92.4	Very high	93.2	Very high	84 Å²	84	45.4 Å²	45.4	59%	0.587	24%	0.243	S	C	*	.	H	α-helix	trans	-62.8	-46	-179.4	-175.9	0	0	0	0	111.8	R624 T625 W626 N632	R624-S628 PolarHBondContact O-N 3.12Å; R624-S628 VanDerWaalsContact O-N 3.11Å; T625-S628 PolarHBondContact O-N 3.49Å; W626-S628 VanDerWaalsContact C-N 3.34Å; W626-S628 PolarHBondContact O-N 3.13Å; S628-N632 WeakPolarHBondContact O-CB 3.06Å; S628-N632 PolarHBondContact O-N 2.97Å; S628-N632 VanDerWaalsContact O-N 3.08Å
629	V	94.4	Very high	93	Very high	44 Å²	44	45.6 Å²	45.6	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-49	179.5	174.2	0	0	0	0	111	L539 T625 W626 N632 M633	L539-V629 HydrophobicContact CD1-CB 4.4Å; L539-V629 HydrophobicContact CD1-CG1 3.98Å; T625-V629 WeakPolarHBondContact O-CG2 3.35Å; T625-V629 PolarHBondContact O-N 3.19Å; T625-V629 VanDerWaalsContact O-N 3.16Å; W626-V629 PolarHBondContact O-N 3.23Å; V629-N632 PolarHBondContact O-N 2.85Å; V629-M633 HydrophobicContact CG1-CE 3.47Å; V629-M633 VanDerWaalsContact CG1-CE 3.47Å; V629-M633 HydrophobicContact CG1-SD 4.13Å; V629-M633 WeakPolarHBondContact O-CG 3.5Å; V629-M633 PolarHBondContact O-N 3.02Å
630	L	95.4	Very high	92.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-41.4	-178.2	-63.9	172.6	0	0	0	111.6	Y459 Y462 M463 L466 L536 L539 W626 N632 M633 Q634	Y459-L630 HydrophobicContact CD1-CD1 3.88Å; Y459-L630 HydrophobicContact CE1-CD1 4.41Å; Y462-L630 HydrophobicContact CD1-CB 4.05Å; Y462-L630 HydrophobicContact CD1-CD1 3.61Å; Y462-L630 HydrophobicContact CD1-CG 4.46Å; Y462-L630 HydrophobicContact CE1-CB 3.53Å; Y462-L630 HydrophobicContact CE1-CD1 3.98Å; Y462-L630 HydrophobicContact CE1-CG 4.4Å; Y462-L630 HydrophobicContact CE2-CB 4.43Å; Y462-L630 HydrophobicContact CG-CD1 4.12Å; Y462-L630 PolarHBondContact OH-O 2.96Å; M463-L630 HydrophobicContact CE-CD1 4.31Å; M463-L630 HydrophobicContact CG-CD1 4.04Å; M463-L630 HydrophobicContact CG-CD2 3.92Å; L466-L630 HydrophobicContact CD1-CB 3.71Å; L466-L630 HydrophobicContact CD1-CD2 3.6Å; L466-L630 HydrophobicContact CD1-CG 4.2Å; L466-L630 WeakPolarHBondContact CD1-O 3.44Å; L536-L630 HydrophobicContact CD2-CD2 3.5Å; L536-L630 VanDerWaalsContact CD2-CD2 3.5Å; L539-L630 HydrophobicContact CD1-CD2 4.04Å; L539-L630 HydrophobicContact CD1-CG 4.38Å; W626-L630 HydrophobicContact CB-CD1 4.38Å; W626-L630 WeakPolarHBondContact O-CB 3.34Å; W626-L630 WeakPolarHBondContact O-CG 3.48Å; W626-L630 PolarHBondContact O-N 3.04Å; L630-N632 PolarHBondContact O-N 2.73Å; L630-M633 HydrophobicContact CD2-SD 4.36Å; L630-M633 WeakPolarHBondContact O-CB 3.38Å; L630-M633 PolarHBondContact O-N 2.96Å; L630-Q634 WeakPolarHBondContact O-CB 3.4Å; L630-Q634 PolarHBondContact O-N 3.09Å
631	L	93.4	Very high	92.6	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-42.7	175.9	-176	64.8	0	0	0	111.4	P402 Y462 S627 M633 Q634 T635	P402-L631 HydrophobicContact CB-CD2 4.21Å; Y462-L631 PolarHBondContact OH-N 2.97Å; S627-L631 WeakPolarHBondContact O-CB 3.29Å; S627-L631 PolarHBondContact O-N 2.84Å; L631-M633 PolarHBondContact O-N 2.96Å; L631-Q634 PolarHBondContact O-N 2.91Å; L631-T635 PolarHBondContact O-N 3.12Å; L631-T635 PolarHBondContact O-OG1 2.89Å; L631-T635 VanDerWaalsContact O-OG1 3.07Å
632	N	93.8	Very high	92.4	Very high	91 Å²	91	51 Å²	51	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-43.7	175.8	-174.5	-92.4	0	0	0	112.2	S628 V629 L630 R636	S628-N632 WeakPolarHBondContact O-CB 3.06Å; S628-N632 PolarHBondContact O-N 2.97Å; S628-N632 VanDerWaalsContact O-N 3.08Å; V629-N632 PolarHBondContact O-N 2.85Å; L630-N632 PolarHBondContact O-N 2.73Å; N632-R636 WeakPolarHBondContact O-CG 3.41Å; N632-R636 PolarHBondContact O-N 3.31Å; N632-R636 VanDerWaalsContact O-N 3.12Å
633	M	94.7	Very high	92.1	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-48	174.5	-70.6	172.5	177.7	0	0	111.1	L466 F532 Q535 L536 V629 L630 L631 T635 R636 L637	L466-M633 HydrophobicContact CD1-CB 4.32Å; F532-M633 HydrophobicContact CB-CE 4.31Å; F532-M633 HydrophobicContact CB-CG 4.44Å; F532-M633 HydrophobicContact CB-SD 4.43Å; F532-M633 HydrophobicContact CD1-CE 4.12Å; F532-M633 HydrophobicContact CD1-CG 3.79Å; F532-M633 HydrophobicContact CD2-CG 4.39Å; F532-M633 HydrophobicContact CE1-CG 4.03Å; F532-M633 HydrophobicContact CG-CG 3.99Å; F532-M633 HydrophobicContact CZ-CG 4.44Å; Q535-M633 HydrophobicContact CB-CE 3.42Å; Q535-M633 VanDerWaalsContact CB-CE 3.42Å; Q535-M633 HydrophobicContact CG-CE 4.29Å; L536-M633 HydrophobicContact CD2-SD 4.01Å; L536-M633 HydrophobicContact CG-CE 4.44Å; L536-M633 HydrophobicContact CG-SD 3.99Å; V629-M633 HydrophobicContact CG1-CE 3.47Å; V629-M633 VanDerWaalsContact CG1-CE 3.47Å; V629-M633 HydrophobicContact CG1-SD 4.13Å; V629-M633 WeakPolarHBondContact O-CG 3.5Å; V629-M633 PolarHBondContact O-N 3.02Å; L630-M633 HydrophobicContact CD2-SD 4.36Å; L630-M633 WeakPolarHBondContact O-CB 3.38Å; L630-M633 PolarHBondContact O-N 2.96Å; L631-M633 PolarHBondContact O-N 2.96Å; M633-T635 PolarHBondContact O-N 3.44Å; M633-R636 PolarHBondContact O-N 3.41Å; M633-L637 WeakPolarHBondContact O-CB 3.48Å; M633-L637 VanDerWaalsContact O-CG 3.3Å; M633-L637 WeakPolarHBondContact O-CG 3.44Å; M633-L637 PolarHBondContact O-N 2.82Å
634	Q	94	Very high	91.9	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.019	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-48.2	-179.5	-168.5	-177.5	13.1	0	0	111.6	Y462 L466 L630 L631 R636 L637 Q638	Y462-Q634 PolarHBondContact OH-OE1 2.78Å; L466-Q634 HydrophobicContact CD2-CB 3.86Å; L466-Q634 HydrophobicContact CD2-CG 4.1Å; L630-Q634 WeakPolarHBondContact O-CB 3.4Å; L630-Q634 PolarHBondContact O-N 3.09Å; L631-Q634 PolarHBondContact O-N 2.91Å; Q634-R636 PolarHBondContact O-N 2.82Å; Q634-L637 PolarHBondContact O-N 2.71Å; Q634-Q638 WeakPolarHBondContact O-CB 2.99Å; Q634-Q638 WeakPolarHBondContact O-CG 2.86Å; Q634-Q638 PolarHBondContact O-N 3.11Å
635	T	91.8	Very high	91.8	Very high	62 Å²	62	50.3 Å²	50.3	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-59	-47	177.6	-53.8	0	0	0	0	111.2	L631 M633 L637 Q638 D639	L631-T635 PolarHBondContact O-N 3.12Å; L631-T635 PolarHBondContact O-OG1 2.89Å; L631-T635 VanDerWaalsContact O-OG1 3.07Å; M633-T635 PolarHBondContact O-N 3.44Å; T635-L637 PolarHBondContact O-N 2.64Å; T635-Q638 PolarHBondContact O-N 3.47Å; T635-D639 PolarHBondContact O-N 3.41Å
636	R	92.2	Very high	91.5	Very high	123 Å²	123	48.1 Å²	48.1	46%	0.464	28%	0.282	S	S	.	.	H	α-helix	trans	-67.1	-34.4	-179.5	-70	-176	66.1	-162.3	1.8	113	F532 N632 M633 Q634 F640	F532-R636 HydrophobicContact CE2-CB 4.1Å; F532-R636 HydrophobicContact CZ-CB 3.95Å; F532-R636 HydrophobicContact CZ-CG 4.48Å; N632-R636 WeakPolarHBondContact O-CG 3.41Å; N632-R636 PolarHBondContact O-N 3.31Å; N632-R636 VanDerWaalsContact O-N 3.12Å; M633-R636 PolarHBondContact O-N 3.41Å; Q634-R636 PolarHBondContact O-N 2.82Å; R636-F640 WeakPolarHBondContact O-CB 3.35Å; R636-F640 PolarHBondContact O-N 2.73Å
637	L	92.4	Very high	91.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-70.2	-37.8	174.7	-72.8	169.1	0	0	0	111.8	L466 E469 A473 I529 F532 M633 Q634 T635 F640 T641	L466-L637 HydrophobicContact CD2-CD1 4.12Å; E469-L637 HydrophobicContact CB-CD1 4.08Å; A473-L637 HydrophobicContact CB-CD2 4.11Å; I529-L637 HydrophobicContact CG1-CD2 4.44Å; F532-L637 HydrophobicContact CD2-CD2 4.3Å; F532-L637 HydrophobicContact CD2-CG 4.35Å; F532-L637 HydrophobicContact CE2-CG 4.37Å; M633-L637 WeakPolarHBondContact O-CB 3.48Å; M633-L637 VanDerWaalsContact O-CG 3.3Å; M633-L637 WeakPolarHBondContact O-CG 3.44Å; M633-L637 PolarHBondContact O-N 2.82Å; Q634-L637 PolarHBondContact O-N 2.71Å; T635-L637 PolarHBondContact O-N 2.64Å; L637-F640 PolarHBondContact O-N 2.97Å; L637-T641 WeakPolarHBondContact O-CB 3.47Å; L637-T641 PolarHBondContact O-N 3.23Å; L637-T641 PolarHBondContact O-OG1 3.27Å
638	Q	90.4	Very high	90.8	Very high	88 Å²	88	49.8 Å²	49.8	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-43.2	174.2	-74.4	177.1	-10.7	0	0	112.1	Q634 T635 F640 T641 S642	Q634-Q638 WeakPolarHBondContact O-CB 2.99Å; Q634-Q638 WeakPolarHBondContact O-CG 2.86Å; Q634-Q638 PolarHBondContact O-N 3.11Å; T635-Q638 PolarHBondContact O-N 3.47Å; Q638-F640 VanDerWaalsContact C-N 3.32Å; Q638-F640 PolarHBondContact O-N 2.86Å; Q638-T641 PolarHBondContact O-N 3.47Å; Q638-S642 PolarHBondContact O-N 3.32Å; Q638-S642 PolarHBondContact O-OG 3.3Å
639	D	89.4	Confident	90.5	Very high	104 Å²	104	47.2 Å²	47.2	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-60	-44.9	173.6	-69.7	-22.4	0	0	0	110.8	T635 S642 F643	T635-D639 PolarHBondContact O-N 3.41Å; D639-S642 PolarHBondContact O-N 3.41Å; D639-F643 WeakPolarHBondContact O-CB 3.29Å; D639-F643 PolarHBondContact O-N 3.2Å
640	F	89.9	Confident	90	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-41.9	177.1	178.5	-98.2	0	0	0	112.3	A473 I477 Y525 I529 R636 L637 Q638 S642 F643 S644	A473-F640 HydrophobicContact CB-CD1 3.77Å; A473-F640 HydrophobicContact CB-CE1 3.82Å; I477-F640 HydrophobicContact CD1-CE1 4.41Å; I477-F640 HydrophobicContact CD1-CE2 4.11Å; I477-F640 HydrophobicContact CD1-CZ 3.77Å; I477-F640 HydrophobicContact CG1-CE1 4Å; I477-F640 HydrophobicContact CG1-CE2 3.97Å; I477-F640 HydrophobicContact CG1-CZ 3.27Å; Y525-F640 AromaticContact CD1-CD2 3.72Å; Y525-F640 HydrophobicContact CD1-CD2 3.72Å; Y525-F640 HydrophobicContact CD1-CE2 4.14Å; Y525-F640 HydrophobicContact CE1-CD2 4.28Å; Y525-F640 HydrophobicContact CG-CD2 4.12Å; Y525-F640 HydrophobicContact CG-CE2 4.06Å; I529-F640 HydrophobicContact CD1-CD1 4.42Å; I529-F640 HydrophobicContact CD1-CE1 4.37Å; R636-F640 WeakPolarHBondContact O-CB 3.35Å; R636-F640 PolarHBondContact O-N 2.73Å; L637-F640 PolarHBondContact O-N 2.97Å; Q638-F640 VanDerWaalsContact C-N 3.32Å; Q638-F640 PolarHBondContact O-N 2.86Å; F640-S642 VanDerWaalsContact C-N 3.33Å; F640-S642 PolarHBondContact O-N 2.88Å; F640-F643 HydrophobicContact CD2-CD1 4.42Å; F640-F643 HydrophobicContact CE2-CD1 4.35Å; F640-F643 PolarHBondContact O-N 3.42Å; F640-S644 WeakPolarHBondContact O-CB 3.49Å; F640-S644 PolarHBondContact O-N 2.92Å; F640-S644 PolarHBondContact O-OG 2.89Å
641	T	89.3	Confident	89.5	Confident	80 Å²	80	49.2 Å²	49.2	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-40	178.8	-57.6	0	0	0	0	111.2	L637 Q638 S644 A645	L637-T641 WeakPolarHBondContact O-CB 3.47Å; L637-T641 PolarHBondContact O-N 3.23Å; L637-T641 PolarHBondContact O-OG1 3.27Å; Q638-T641 PolarHBondContact O-N 3.47Å; T641-S644 PolarHBondContact O-N 3.17Å; T641-S644 PolarHBondContact O-OG 3.33Å; T641-A645 WeakPolarHBondContact O-CB 3.32Å; T641-A645 PolarHBondContact O-N 3.48Å
642	S	89.4	Confident	89.1	Confident	89 Å²	89	51.8 Å²	51.8	62%	0.622	30%	0.299	S	S	*	.	H	α-helix	trans	-65.3	-42.8	174.7	-56.9	0	0	0	0	111.4	Q638 D639 F640 G646	Q638-S642 PolarHBondContact O-N 3.32Å; Q638-S642 PolarHBondContact O-OG 3.3Å; D639-S642 PolarHBondContact O-N 3.41Å; F640-S642 VanDerWaalsContact C-N 3.33Å; F640-S642 PolarHBondContact O-N 2.88Å; S642-G646 PolarHBondContact O-N 3.02Å
643	F	88.1	Confident	88.7	Confident	79 Å²	79	51 Å²	51	35%	0.346	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-45.5	175.2	171.9	-100.2	0	0	0	112.5	Y525 D639 F640 G646 L647	Y525-F643 HydrophobicContact CE2-CE1 4.43Å; D639-F643 WeakPolarHBondContact O-CB 3.29Å; D639-F643 PolarHBondContact O-N 3.2Å; F640-F643 HydrophobicContact CD2-CD1 4.42Å; F640-F643 HydrophobicContact CE2-CD1 4.35Å; F640-F643 PolarHBondContact O-N 3.42Å; F643-G646 PolarHBondContact O-N 3.11Å; F643-L647 HydrophobicContact CE1-CD2 4.04Å; F643-L647 HydrophobicContact CZ-CD2 4.14Å; F643-L647 WeakPolarHBondContact O-CB 3.12Å; F643-L647 PolarHBondContact O-N 2.82Å
644	S	87.4	Confident	88	Confident	8 Å²	8	51.8 Å²	51.8	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-39.5	-177.3	71.6	0	0	0	0	111.7	S476 F640 T641 L647 L648	S476-S644 WeakPolarHBondContact OG-CB 3.43Å; F640-S644 WeakPolarHBondContact O-CB 3.49Å; F640-S644 PolarHBondContact O-N 2.92Å; F640-S644 PolarHBondContact O-OG 2.89Å; T641-S644 PolarHBondContact O-N 3.17Å; T641-S644 PolarHBondContact O-OG 3.33Å; S644-L647 PolarHBondContact O-N 2.92Å; S644-L648 WeakPolarHBondContact O-CB 3.48Å; S644-L648 WeakPolarHBondContact O-CG 2.83Å; S644-L648 PolarHBondContact O-N 2.93Å
645	A	88.8	Confident	87.4	Confident	63 Å²	63	53.9 Å²	53.9	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-45	173.8	0	0	0	0	0	112	T641 L648 G649	T641-A645 WeakPolarHBondContact O-CB 3.32Å; T641-A645 PolarHBondContact O-N 3.48Å; A645-L648 PolarHBondContact O-N 3.31Å; A645-G649 PolarHBondContact O-N 3.12Å; A645-G649 VanDerWaalsContact O-N 3.12Å
646	G	86.1	Confident	87	Confident	42 Å²	42	56.5 Å²	56.5	43%	0.433	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-44.2	175.2	0	0	0	0	0	112.6	S642 F643 G649 D650	S642-G646 PolarHBondContact O-N 3.02Å; F643-G646 PolarHBondContact O-N 3.11Å; G646-G649 PolarHBondContact O-N 3.43Å; G646-D650 PolarHBondContact O-N 3.4Å
647	L	85.7	Confident	86.4	Confident	10 Å²	10	56.5 Å²	56.5	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-38.8	179.4	-179.9	60.8	0	0	0	112.8	I480 V518 L522 F643 S644 G649 D650 L651	I480-L647 HydrophobicContact CD1-CD2 4.24Å; I480-L647 HydrophobicContact CG2-CD2 3.5Å; I480-L647 HydrophobicContact CG2-CG 4.24Å; V518-L647 HydrophobicContact CG1-CD1 3.89Å; V518-L647 HydrophobicContact CG1-CD2 3.41Å; V518-L647 VanDerWaalsContact CG1-CD2 3.41Å; V518-L647 HydrophobicContact CG1-CG 4.31Å; V518-L647 HydrophobicContact CG2-CD1 4.38Å; L522-L647 HydrophobicContact CD1-CD2 4.26Å; F643-L647 HydrophobicContact CE1-CD2 4.04Å; F643-L647 HydrophobicContact CZ-CD2 4.14Å; F643-L647 WeakPolarHBondContact O-CB 3.12Å; F643-L647 PolarHBondContact O-N 2.82Å; S644-L647 PolarHBondContact O-N 2.92Å; L647-G649 VanDerWaalsContact C-N 3.3Å; L647-G649 PolarHBondContact O-N 3.21Å; L647-D650 PolarHBondContact O-N 2.78Å; L647-L651 HydrophobicContact CG-CD1 4.36Å; L647-L651 WeakPolarHBondContact O-CB 3.48Å; L647-L651 WeakPolarHBondContact O-CG 3.47Å; L647-L651 PolarHBondContact O-N 3.26Å
648	L	86.9	Confident	85.8	Confident	40 Å²	40	57.1 Å²	57.1	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-39.8	173.7	-77.7	167.6	0	0	0	111.3	I479 I480 S644 A645 L651 D652	I479-L648 HydrophobicContact CG2-CD2 4.17Å; I480-L648 HydrophobicContact CD1-CG 4.19Å; I480-L648 HydrophobicContact CG1-CD1 4.43Å; I480-L648 HydrophobicContact CG1-CD2 3.68Å; I480-L648 HydrophobicContact CG1-CG 3.81Å; S644-L648 WeakPolarHBondContact O-CB 3.48Å; S644-L648 WeakPolarHBondContact O-CG 2.83Å; S644-L648 PolarHBondContact O-N 2.93Å; A645-L648 PolarHBondContact O-N 3.31Å; L648-L651 PolarHBondContact O-N 2.9Å; L648-D652 PolarHBondContact O-N 3.14Å
649	G	86.4	Confident	85.3	Confident	31 Å²	31	57.3 Å²	57.3	32%	0.32	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-43.4	172.4	0	0	0	0	0	113.2	A645 G646 L647 L651 D652 V653	A645-G649 PolarHBondContact O-N 3.12Å; A645-G649 VanDerWaalsContact O-N 3.12Å; G646-G649 PolarHBondContact O-N 3.43Å; L647-G649 VanDerWaalsContact C-N 3.3Å; L647-G649 PolarHBondContact O-N 3.21Å; G649-L651 VanDerWaalsContact C-N 3.31Å; G649-L651 PolarHBondContact O-N 3.34Å; G649-D652 PolarHBondContact O-N 3.16Å; G649-V653 WeakPolarHBondContact O-CG2 3.44Å; G649-V653 PolarHBondContact O-N 3.05Å; G649-V653 VanDerWaalsContact O-N 3.11Å
650	D	84.1	Confident	84.8	Confident	85 Å²	85	58.2 Å²	58.2	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-41.2	174.6	-83.7	0.5	0	0	0	111.3	K514 G646 L647 V653 S654	K514-D650 IonicContact NZ-OD2 3.54Å; K514-D650 PolarHBondContact NZ-OD2 3.36Å; G646-D650 PolarHBondContact O-N 3.4Å; L647-D650 PolarHBondContact O-N 2.78Å; D650-V653 PolarHBondContact O-N 3.47Å; D650-S654 WeakPolarHBondContact O-CB 3.31Å; D650-S654 PolarHBondContact O-N 3.21Å
651	L	84.4	Confident	84.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-41.6	176.4	-74.9	170.6	0	0	0	112.2	I480 R483 L484 C487 L515 L647 L648 G649 V653 S654 E655	I480-L651 HydrophobicContact CG2-CD1 4.23Å; R483-L651 HydrophobicContact CB-CD1 4.16Å; L484-L651 HydrophobicContact CB-CD1 4.36Å; L484-L651 HydrophobicContact CB-CD2 4.15Å; L484-L651 HydrophobicContact CD1-CD2 4.23Å; L484-L651 HydrophobicContact CG-CD2 4.15Å; C487-L651 HydrophobicContact CB-CD2 4.4Å; L515-L651 HydrophobicContact CD2-CD2 3.76Å; L647-L651 HydrophobicContact CG-CD1 4.36Å; L647-L651 WeakPolarHBondContact O-CB 3.48Å; L647-L651 WeakPolarHBondContact O-CG 3.47Å; L647-L651 PolarHBondContact O-N 3.26Å; L648-L651 PolarHBondContact O-N 2.9Å; G649-L651 VanDerWaalsContact C-N 3.31Å; G649-L651 PolarHBondContact O-N 3.34Å; L651-V653 VanDerWaalsContact C-N 3.32Å; L651-V653 PolarHBondContact O-N 3.03Å; L651-S654 PolarHBondContact O-N 3.19Å; L651-E655 WeakPolarHBondContact O-CB 3.32Å; L651-E655 WeakPolarHBondContact O-CG 3.27Å; L651-E655 PolarHBondContact O-N 2.97Å
652	D	85.8	Confident	83.3	Confident	73 Å²	73	57.2 Å²	57.2	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-56.9	-46.2	174.4	-79.2	-27.7	0	0	0	111.4	R483 L648 G649 Q656	R483-D652 IonicContact CZ-OD1 2.75Å; R483-D652 IonicContact NH1-OD1 3.02Å; R483-D652 PolarHBondContact NH1-OD1 3.05Å; R483-D652 IonicContact NH2-OD1 3.05Å; R483-D652 PolarHBondContact NH2-OD1 3.39Å; L648-D652 PolarHBondContact O-N 3.14Å; G649-D652 PolarHBondContact O-N 3.16Å; D652-Q656 VanDerWaalsContact O-CG 3.28Å; D652-Q656 WeakPolarHBondContact O-CG 3.47Å; D652-Q656 PolarHBondContact O-N 2.77Å
653	V	84.8	Confident	82.6	Confident	75 Å²	75	58.3 Å²	58.3	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-42	178.4	174.8	0	0	0	0	110.8	G649 D650 L651 Q656 Q657	G649-V653 WeakPolarHBondContact O-CG2 3.44Å; G649-V653 PolarHBondContact O-N 3.05Å; G649-V653 VanDerWaalsContact O-N 3.11Å; D650-V653 PolarHBondContact O-N 3.47Å; L651-V653 VanDerWaalsContact C-N 3.32Å; L651-V653 PolarHBondContact O-N 3.03Å; V653-Q656 PolarHBondContact O-N 3.32Å; V653-Q657 WeakPolarHBondContact O-CG 3.25Å; V653-Q657 PolarHBondContact O-N 3.25Å
654	S	79.9	Confident	81.9	Confident	17 Å²	17	63.6 Å²	63.6	12%	0.119	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-47.9	178.3	-174.9	0	0	0	0	112	C487 D650 L651 Q656 Q657 Q658	C487-S654 PolarHBondContact SG-OG 2.9Å; D650-S654 WeakPolarHBondContact O-CB 3.31Å; D650-S654 PolarHBondContact O-N 3.21Å; L651-S654 PolarHBondContact O-N 3.19Å; S654-Q656 VanDerWaalsContact C-N 3.32Å; S654-Q656 PolarHBondContact O-N 3.36Å; S654-Q657 PolarHBondContact O-N 3.33Å; S654-Q657 VanDerWaalsContact O-N 3.14Å; S654-Q658 WeakPolarHBondContact O-CB 3.48Å; S654-Q658 VanDerWaalsContact O-CG 3.32Å; S654-Q658 WeakPolarHBondContact O-CG 3.43Å; S654-Q658 PolarHBondContact O-N 3.34Å
655	E	81.8	Confident	81.1	Confident	48 Å²	48	65.5 Å²	65.5	22%	0.224	35%	0.353	C	S	.	.	H	α-helix	trans	-59.6	-42.2	176.9	-76.2	178	-164.8	0	0	111.3	R483 L651 Q657 Q658 N659	R483-E655 IonicContact CZ-OE1 2.53Å; R483-E655 IonicContact CZ-OE2 3.84Å; R483-E655 IonicContact NE-OE1 3.41Å; R483-E655 PolarHBondContact NE-OE1 2.86Å; R483-E655 IonicContact NE-OE2 3.15Å; R483-E655 IonicContact NH2-OE1 3.78Å; R483-E655 PolarHBondContact NH2-OE1 3.34Å; R483-E655 VanDerWaalsContact NH2-OE1 3.15Å; R483-E655 IonicContact NH2-OE2 3.76Å; R483-E655 PolarHBondContact NH2-OE2 3.26Å; L651-E655 WeakPolarHBondContact O-CB 3.32Å; L651-E655 WeakPolarHBondContact O-CG 3.27Å; L651-E655 PolarHBondContact O-N 2.97Å; E655-Q657 PolarHBondContact O-N 3.31Å; E655-Q658 PolarHBondContact O-N 3.5Å; E655-N659 WeakPolarHBondContact O-CB 3.36Å; E655-N659 VanDerWaalsContact O-CG 3.29Å; E655-N659 PolarHBondContact O-N 3.42Å; E655-N659 PolarHBondContact O-ND2 3.44Å
656	Q	83.4	Confident	79.9	Confident	117 Å²	117	68.5 Å²	68.5	55%	0.547	36%	0.36	S	S	.	.	H	α-helix	trans	-62.6	-39.3	174.9	-73.4	177.9	13.8	0	0	113	D652 V653 S654 K660	D652-Q656 VanDerWaalsContact O-CG 3.28Å; D652-Q656 WeakPolarHBondContact O-CG 3.47Å; D652-Q656 PolarHBondContact O-N 2.77Å; V653-Q656 PolarHBondContact O-N 3.32Å; S654-Q656 VanDerWaalsContact C-N 3.32Å; S654-Q656 PolarHBondContact O-N 3.36Å; Q656-K660 WeakPolarHBondContact O-CG 3.48Å; Q656-K660 PolarHBondContact O-N 3.25Å; Q656-K660 VanDerWaalsContact O-N 3.17Å
657	Q	80.1	Confident	78.5	Confident	123 Å²	123	69.6 Å²	69.6	58%	0.575	37%	0.371	S	S	*	.	H	α-helix	trans	-68	-42.8	176.6	-73.6	177.3	6.9	0	0	111.7	V653 S654 E655 K660 A661	V653-Q657 WeakPolarHBondContact O-CG 3.25Å; V653-Q657 PolarHBondContact O-N 3.25Å; S654-Q657 PolarHBondContact O-N 3.33Å; S654-Q657 VanDerWaalsContact O-N 3.14Å; E655-Q657 PolarHBondContact O-N 3.31Å; Q657-K660 PolarHBondContact O-N 3.37Å; Q657-A661 WeakPolarHBondContact O-CB 3.2Å; Q657-A661 PolarHBondContact O-N 2.81Å
658	Q	78.6	Confident	77	Confident	16 Å²	16	71.6 Å²	71.6	8%	0.075	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-43.8	178.1	-72.1	-179.8	-5.9	0	0	111.8	C487 T490 I494 S654 E655 K660 A661 M662	C487-Q658 PolarHBondContact O-NE2 2.81Å; C487-Q658 PolarHBondContact O-OE1 3.33Å; C487-Q658 VanDerWaalsContact SG-CD 3.6Å; C487-Q658 PolarHBondContact SG-NE2 2.87Å; C487-Q658 PolarHBondContact SG-OE1 2.99Å; T490-Q658 HydrophobicContact CG2-CB 4.21Å; I494-Q658 HydrophobicContact CD1-CB 3.8Å; I494-Q658 HydrophobicContact CD1-CG 4.14Å; I494-Q658 WeakPolarHBondContact CD1-O 3.5Å; S654-Q658 WeakPolarHBondContact O-CB 3.48Å; S654-Q658 VanDerWaalsContact O-CG 3.32Å; S654-Q658 WeakPolarHBondContact O-CG 3.43Å; S654-Q658 PolarHBondContact O-N 3.34Å; E655-Q658 PolarHBondContact O-N 3.5Å; Q658-K660 PolarHBondContact O-N 3.08Å; Q658-A661 PolarHBondContact O-N 3.49Å; Q658-A661 VanDerWaalsContact O-N 3.16Å; Q658-M662 WeakPolarHBondContact O-CB 3.47Å; Q658-M662 PolarHBondContact O-N 2.93Å
659	N	80.1	Confident	75	Confident	91 Å²	91	75.3 Å²	75.3	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-46.4	175.5	-72.7	-20.7	0	0	0	111.3	E655 A661 M662 D663	E655-N659 WeakPolarHBondContact O-CB 3.36Å; E655-N659 VanDerWaalsContact O-CG 3.29Å; E655-N659 PolarHBondContact O-N 3.42Å; E655-N659 PolarHBondContact O-ND2 3.44Å; N659-A661 VanDerWaalsContact C-N 3.3Å; N659-A661 PolarHBondContact O-N 2.86Å; N659-M662 PolarHBondContact O-N 2.97Å; N659-D663 PolarHBondContact O-N 3.32Å
660	K	80.3	Confident	73.2	Confident	123 Å²	123	80.9 Å²	80.9	54%	0.535	43%	0.43	S	S	.	.	H	α-helix	trans	-59.9	-37.5	174.2	-74	174.2	-176.7	173.9	0	112.9	Q656 Q657 Q658 R664	Q656-K660 WeakPolarHBondContact O-CG 3.48Å; Q656-K660 PolarHBondContact O-N 3.25Å; Q656-K660 VanDerWaalsContact O-N 3.17Å; Q657-K660 PolarHBondContact O-N 3.37Å; Q658-K660 PolarHBondContact O-N 3.08Å; K660-R664 VanDerWaalsContact O-CG 3.31Å; K660-R664 WeakPolarHBondContact O-CG 3.48Å; K660-R664 PolarHBondContact O-N 3.3Å
661	A	75.6	Confident	71.3	Confident	33 Å²	33	86.3 Å²	86.3	27%	0.273	45%	0.45	S	S	.	.	H	α-helix	trans	-70	-40.5	177.2	0	0	0	0	0	111.6	I494 Q657 Q658 N659 R664 I665	I494-A661 HydrophobicContact CD1-CB 4.43Å; Q657-A661 WeakPolarHBondContact O-CB 3.2Å; Q657-A661 PolarHBondContact O-N 2.81Å; Q658-A661 PolarHBondContact O-N 3.49Å; Q658-A661 VanDerWaalsContact O-N 3.16Å; N659-A661 VanDerWaalsContact C-N 3.3Å; N659-A661 PolarHBondContact O-N 2.86Å; A661-R664 PolarHBondContact O-N 2.81Å; A661-I665 WeakPolarHBondContact O-CG1 3.3Å; A661-I665 PolarHBondContact O-N 3.36Å
662	M	71.1	Confident	69	Low	39 Å²	39	89.1 Å²	89.1	19%	0.192	48%	0.479	C	S	.	.	H	α-helix	trans	-63.4	-43.8	176	-163.6	170.6	-56	0	0	111.6	T490 I494 Q658 N659 R664 I665 L666	T490-M662 HydrophobicContact CG2-CE 3.37Å; I494-M662 HydrophobicContact CD1-CB 4.48Å; I494-M662 HydrophobicContact CD1-CE 3.97Å; I494-M662 HydrophobicContact CG1-CE 3.79Å; Q658-M662 WeakPolarHBondContact O-CB 3.47Å; Q658-M662 PolarHBondContact O-N 2.93Å; N659-M662 PolarHBondContact O-N 2.97Å; M662-R664 VanDerWaalsContact C-N 3.31Å; M662-R664 PolarHBondContact O-N 3.46Å; M662-I665 PolarHBondContact O-N 3.1Å; M662-L666 HydrophobicContact CG-CD1 4.02Å; M662-L666 WeakPolarHBondContact O-CB 3.42Å; M662-L666 WeakPolarHBondContact O-CG 3.43Å; M662-L666 PolarHBondContact O-N 2.97Å
663	D	75.6	Confident	66.7	Low	111 Å²	111	96.4 Å²	96.4	59%	0.594	50%	0.501	S	S	*	.	H	α-helix	trans	-59.8	-39.4	174.4	-70.2	-23.7	0	0	0	112.1	N659 G667	N659-D663 PolarHBondContact O-N 3.32Å; D663-G667 PolarHBondContact O-N 3.29Å
664	R	74.1	Confident	64.4	Low	191 Å²	191	97.9 Å²	97.9	72%	0.721	52%	0.521	S	S	*	.	H	α-helix	trans	-66.9	-40.5	175.6	-73.2	176.5	-161.9	178.6	4.6	112.9	K660 A661 M662 G667 S668	K660-R664 VanDerWaalsContact O-CG 3.31Å; K660-R664 WeakPolarHBondContact O-CG 3.48Å; K660-R664 PolarHBondContact O-N 3.3Å; A661-R664 PolarHBondContact O-N 2.81Å; M662-R664 VanDerWaalsContact C-N 3.31Å; M662-R664 PolarHBondContact O-N 3.46Å; R664-G667 PolarHBondContact O-N 2.87Å; R664-S668 PolarHBondContact O-N 3.37Å
665	I	68.8	Low	62.3	Low	48 Å²	48	105.2 Å²	105.2	25%	0.246	55%	0.554	C	S	.	*	H	α-helix	trans	-66.9	-44.3	178.6	-68.9	168.4	0	0	0	110	I494 L497 A498 A661 M662 G667 S668	I494-I665 HydrophobicContact CG2-CD1 3.82Å; L497-I665 HydrophobicContact CB-CG2 4.28Å; A498-I665 HydrophobicContact CB-CD1 4.46Å; A661-I665 WeakPolarHBondContact O-CG1 3.3Å; A661-I665 PolarHBondContact O-N 3.36Å; M662-I665 PolarHBondContact O-N 3.1Å; I665-G667 VanDerWaalsContact C-N 3.31Å; I665-G667 PolarHBondContact O-N 2.77Å; I665-S668 PolarHBondContact O-N 2.9Å
666	L	65.3	Low	59.9	Low	126 Å²	126	111.5 Å²	111.5	66%	0.66	58%	0.583	S	S	*	*	H	α-helix	trans	-69.8	-26.3	177.7	-68.1	170.1	0	0	0	113	M662	M662-L666 HydrophobicContact CG-CD1 4.02Å; M662-L666 WeakPolarHBondContact O-CB 3.42Å; M662-L666 WeakPolarHBondContact O-CG 3.43Å; M662-L666 PolarHBondContact O-N 2.97Å
667	G	56.5	Low	57.4	Low	64 Å²	64	115 Å²	115	66%	0.66	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-0.4	175.8	0	0	0	0	0	115.9	D663 R664 I665	D663-G667 PolarHBondContact O-N 3.29Å; R664-G667 PolarHBondContact O-N 2.87Å; I665-G667 VanDerWaalsContact C-N 3.31Å; I665-G667 PolarHBondContact O-N 2.77Å
668	S	53.6	Low	55.6	Low	53 Å²	53	114.4 Å²	114.4	37%	0.371	61%	0.606	S	S	.	*	S	Bend	trans	-75.1	134.2	-179.2	-177.5	0	0	0	0	112.1	R664 I665 Q670	R664-S668 PolarHBondContact O-N 3.37Å; I665-S668 PolarHBondContact O-N 2.9Å; S668-Q670 PolarHBondContact O-N 2.89Å
669	P	44.7	Very low	53.6	Low	118 Å²	118	122.7 Å²	122.7	77%	0.766	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-70.5	4.4	-168.6	27	-34.3	0	0	0	116.1	F671	P669-F671 VanDerWaalsContact C-N 3.34Å
670	Q	49.6	Very low	51.2	Low	148 Å²	148	125.4 Å²	125.4	69%	0.692	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-77.8	-14.6	176.2	-77.3	-176.1	-9.6	0	0	114.3	S668 G672	S668-Q670 PolarHBondContact O-N 2.89Å; Q670-G672 VanDerWaalsContact C-N 3.32Å
671	F	43	Very low	49.3	Very low	198 Å²	198	123.7 Å²	123.7	87%	0.868	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-87.1	1.9	174.8	-100.2	-86.1	0	0	0	114.2	P669	P669-F671 VanDerWaalsContact C-N 3.34Å
672	G	37.1	Very low	48.1	Very low	59 Å²	59	127.7 Å²	127.7	61%	0.608	70%	0.696	S	S	*	*			trans	-131.2	51.8	-169.4	0	0	0	0	0	115.2	Q670	Q670-G672 VanDerWaalsContact C-N 3.32Å
673	R	36.9	Very low	46.9	Very low	227 Å²	227	137.4 Å²	137.4	86%	0.857	73%	0.731	S	S	*	*			trans	-145.1	94.5	158.1	-98.6	-172	179.1	175	-0.7	111.7
674	A	35.5	Very low	45.9	Very low	106 Å²	106	136 Å²	136	88%	0.876	72%	0.723	S	S	*	*			trans	-127.5	88.7	155.2	0	0	0	0	0	107.6
675	E	36.3	Very low	44.8	Very low	171 Å²	171	135.5 Å²	135.5	80%	0.799	73%	0.726	S	S	*	*			trans	-88.7	120.3	167.6	-81.6	179.7	160.3	0	0	109.9
676	Q	32.8	Very low	43.9	Very low	180 Å²	180	137.2 Å²	137.2	84%	0.841	74%	0.743	S	S	*	*			trans	33.9	105.3	143.4	-64	177.4	-11	0	0	121.9
677	Q	30.6	Very low	43.1	Very low	190 Å²	190	136.6 Å²	136.6	89%	0.888	74%	0.736	S	S	*	*			trans	57.7	159.7	133.8	-75.8	-168.6	-7	0	0	123.1
678	P	41	Very low	43	Very low	111 Å²	111	140 Å²	140	72%	0.721	74%	0.737	S	S	*	*			cis	-130.5	167.3	6.2	32.3	-10.2	0	0	0	117.7
679	E	37.4	Very low	43.3	Very low	190 Å²	190	141.9 Å²	141.9	89%	0.888	74%	0.741	S	S	*	*			trans	6.2	114.3	163.4	-68.7	-175.8	142.4	0	0	121.2
680	V	30.5	Very low	43.9	Very low	148 Å²	148	143.3 Å²	143.3	90%	0.897	74%	0.736	S	S	*	*			trans	-149.2	126.4	130.5	-177.9	0	0	0	0	108.5
681	A	39.2	Very low	44.2	Very low	86 Å²	86	144.9 Å²	144.9	71%	0.711	74%	0.735	S	S	*	*			trans	-102.1	165.7	162.1	0	0	0	0	0	109.2
682	P	49.8	Very low	44.9	Very low	117 Å²	117	141.8 Å²	141.8	76%	0.76	73%	0.725	S	S	*	*			cis	-131.3	146.2	-16.1	34.1	-17.3	0	0	0	112
683	R	47.6	Very low	46.1	Very low	244 Å²	244	143.2 Å²	143.2	92%	0.921	72%	0.716	S	S	*	*			trans	-172.6	102.5	150.3	-108.7	175.7	-163.9	-157.6	4.9	108.2
684	D	53.2	Low	46.9	Very low	82 Å²	82	137.2 Å²	137.2	44%	0.439	70%	0.698	S	S	.	*			trans	-164.3	73.8	144.8	-115.9	-27.5	0	0	0	113.9	S686 Q687 M688	D684-S686 PolarHBondContact O-N 3.24Å; D684-S686 WeakPolarHBondContact OD1-CB 3.49Å; D684-Q687 HydrophobicContact CB-CB 3.5Å; D684-Q687 VanDerWaalsContact CB-CB 3.5Å; D684-Q687 PolarHBondContact O-N 3.18Å; D684-Q687 PolarHBondContact OD1-N 3.17Å; D684-M688 PolarHBondContact O-N 3.19Å
685	K	52	Low	48.1	Very low	179 Å²	179	137 Å²	137	78%	0.778	68%	0.681	S	S	*	*	H	α-helix	trans	-56.2	-34	157.4	-94.3	-177.1	174.1	-179.7	0	110.1	I689	K685-I689 HydrophobicContact CB-CD1 4.42Å; K685-I689 VanDerWaalsContact O-CB 3.27Å; K685-I689 WeakPolarHBondContact O-CB 3.38Å; K685-I689 VanDerWaalsContact O-CD1 3.3Å; K685-I689 WeakPolarHBondContact O-CD1 3.31Å; K685-I689 WeakPolarHBondContact O-CG1 3.24Å; K685-I689 PolarHBondContact O-N 2.88Å
686	S	48.6	Very low	49.5	Very low	85 Å²	85	134.6 Å²	134.6	59%	0.594	67%	0.665	S	S	*	*	H	α-helix	trans	-67.8	-40.3	-178.3	-48	0	0	0	0	112.7	D684 I689 F690	D684-S686 PolarHBondContact O-N 3.24Å; D684-S686 WeakPolarHBondContact OD1-CB 3.49Å; S686-I689 PolarHBondContact O-N 3.16Å; S686-F690 VanDerWaalsContact O-CB 3.3Å; S686-F690 WeakPolarHBondContact O-CB 3.41Å; S686-F690 PolarHBondContact O-N 3.23Å
687	Q	48.3	Very low	50.8	Low	113 Å²	113	129.9 Å²	129.9	53%	0.528	65%	0.645	S	S	.	*	H	α-helix	trans	-73.5	-34	178	-144.8	175.8	52.6	0	0	112.6	D684 R691	D684-Q687 HydrophobicContact CB-CB 3.5Å; D684-Q687 VanDerWaalsContact CB-CB 3.5Å; D684-Q687 PolarHBondContact O-N 3.18Å; D684-Q687 PolarHBondContact OD1-N 3.17Å; Q687-R691 WeakPolarHBondContact O-CG 3.41Å; Q687-R691 PolarHBondContact O-N 3.25Å
688	M	56	Low	52.2	Low	135 Å²	135	125.9 Å²	125.9	67%	0.665	63%	0.626	S	S	*	*	H	α-helix	trans	-69.3	-41.7	171.7	-172.1	176.8	-89.2	0	0	111.4	D684 F690 R691 M692	D684-M688 PolarHBondContact O-N 3.19Å; M688-F690 VanDerWaalsContact C-N 3.33Å; M688-F690 PolarHBondContact O-N 2.96Å; M688-R691 PolarHBondContact O-N 3.34Å; M688-M692 WeakPolarHBondContact O-CB 3.21Å; M688-M692 WeakPolarHBondContact O-CG 3.3Å; M688-M692 PolarHBondContact O-N 3.46Å
689	I	59.3	Low	52.9	Low	92 Å²	92	126.3 Å²	126.3	47%	0.472	62%	0.62	S	S	.	*	H	α-helix	trans	-61.1	-43	173.2	-72.2	165	0	0	0	110.4	K685 S686 M692 H693	K685-I689 HydrophobicContact CB-CD1 4.42Å; K685-I689 VanDerWaalsContact O-CB 3.27Å; K685-I689 WeakPolarHBondContact O-CB 3.38Å; K685-I689 VanDerWaalsContact O-CD1 3.3Å; K685-I689 WeakPolarHBondContact O-CD1 3.31Å; K685-I689 WeakPolarHBondContact O-CG1 3.24Å; K685-I689 PolarHBondContact O-N 2.88Å; S686-I689 PolarHBondContact O-N 3.16Å; I689-M692 PolarHBondContact O-N 2.86Å; I689-H693 PolarHBondContact O-CD2 3.45Å; I689-H693 VanDerWaalsContact O-CD2 3.22Å; I689-H693 PolarHBondContact O-N 2.96Å
690	F	57.8	Low	53.9	Low	148 Å²	148	121.8 Å²	121.8	65%	0.649	60%	0.599	S	S	*	*	H	α-helix	trans	-63.7	-43.8	177.2	-171.2	-94.8	0	0	0	112.3	S686 M688 M692 H693 H694	S686-F690 VanDerWaalsContact O-CB 3.3Å; S686-F690 WeakPolarHBondContact O-CB 3.41Å; S686-F690 PolarHBondContact O-N 3.23Å; M688-F690 VanDerWaalsContact C-N 3.33Å; M688-F690 PolarHBondContact O-N 2.96Å; F690-M692 VanDerWaalsContact C-N 3.35Å; F690-M692 PolarHBondContact O-N 3.36Å; F690-H693 PolarHBondContact O-N 2.98Å; F690-H694 PolarHBondContact O-N 2.98Å
691	R	56.2	Low	55.2	Low	181 Å²	181	119.3 Å²	119.3	68%	0.683	58%	0.581	S	S	*	*	H	α-helix	trans	-63.8	-38.4	174	-77.5	-176.5	-179.3	-178.1	1.8	112.5	Q687 M688 H694 L695	Q687-R691 WeakPolarHBondContact O-CG 3.41Å; Q687-R691 PolarHBondContact O-N 3.25Å; M688-R691 PolarHBondContact O-N 3.34Å; R691-H694 PolarHBondContact O-N 2.68Å; R691-L695 WeakPolarHBondContact O-CB 3.09Å; R691-L695 PolarHBondContact O-N 3.12Å
692	M	57.3	Low	56.1	Low	134 Å²	134	120.2 Å²	120.2	66%	0.66	57%	0.573	S	S	*	*	H	α-helix	trans	-68.4	-36.8	176.1	-74.2	-163.3	79.9	0	0	112.3	M688 I689 F690 R696	M688-M692 WeakPolarHBondContact O-CB 3.21Å; M688-M692 WeakPolarHBondContact O-CG 3.3Å; M688-M692 PolarHBondContact O-N 3.46Å; I689-M692 PolarHBondContact O-N 2.86Å; F690-M692 VanDerWaalsContact C-N 3.35Å; F690-M692 PolarHBondContact O-N 3.36Å; M692-R696 VanDerWaalsContact O-CB 3.26Å; M692-R696 WeakPolarHBondContact O-CB 3.45Å; M692-R696 PolarHBondContact O-N 2.91Å
693	H	61.3	Low	56.7	Low	89 Å²	89	118 Å²	118	41%	0.412	56%	0.557	S	S	.	*	H	α-helix	trans	-66.3	-44.3	173	-84.6	-68.9	0	0	0	111.9	I689 F690 L695 R696 D697	I689-H693 PolarHBondContact O-CD2 3.45Å; I689-H693 VanDerWaalsContact O-CD2 3.22Å; I689-H693 PolarHBondContact O-N 2.96Å; F690-H693 PolarHBondContact O-N 2.98Å; H693-L695 PolarHBondContact O-N 3.21Å; H693-R696 PolarHBondContact ND1-NH1 3.32Å; H693-R696 PolarHBondContact ND1-NH2 3.46Å; H693-R696 PolarHBondContact O-N 3.04Å; H693-D697 WeakPolarHBondContact O-CB 3.23Å; H693-D697 PolarHBondContact O-N 2.97Å
694	H	55	Low	57.3	Low	101 Å²	101	114.6 Å²	114.6	47%	0.468	54%	0.544	S	S	.	.	H	α-helix	trans	-60.5	-45.4	175.3	-173.3	-78.6	0	0	0	112.1	F690 R691 R696 D697 E698	F690-H694 PolarHBondContact O-N 2.98Å; R691-H694 PolarHBondContact O-N 2.68Å; H694-R696 VanDerWaalsContact C-N 3.33Å; H694-R696 PolarHBondContact O-N 2.76Å; H694-D697 PolarHBondContact O-N 2.92Å; H694-E698 VanDerWaalsContact CE1-CD 3.4Å; H694-E698 IonicContact CE1-OE1 3.61Å; H694-E698 PolarHBondContact CE1-OE1 2.82Å; H694-E698 IonicContact CE1-OE2 2.93Å; H694-E698 IonicContact ND1-OE2 3.68Å; H694-E698 PolarHBondContact O-N 3.34Å
695	L	60.7	Low	57.4	Low	102 Å²	102	115 Å²	115	53%	0.534	54%	0.543	S	S	.	.	H	α-helix	trans	-65.1	-37.8	178.7	-156.5	85.3	0	0	0	111.7	R691 H693 M699	R691-L695 WeakPolarHBondContact O-CB 3.09Å; R691-L695 PolarHBondContact O-N 3.12Å; H693-L695 PolarHBondContact O-N 3.21Å; L695-M699 WeakPolarHBondContact O-CB 3.42Å; L695-M699 VanDerWaalsContact O-CG 3.32Å; L695-M699 WeakPolarHBondContact O-CG 3.41Å; L695-M699 PolarHBondContact O-N 2.99Å
696	R	64.3	Low	58	Low	120 Å²	120	110.7 Å²	110.7	45%	0.453	53%	0.528	S	S	.	.	H	α-helix	trans	-64.5	-44.3	175.1	-175.5	-162.9	66.7	179.7	1.4	111.3	M692 H693 H694 M699 E700	M692-R696 VanDerWaalsContact O-CB 3.26Å; M692-R696 WeakPolarHBondContact O-CB 3.45Å; M692-R696 PolarHBondContact O-N 2.91Å; H693-R696 PolarHBondContact ND1-NH1 3.32Å; H693-R696 PolarHBondContact ND1-NH2 3.46Å; H693-R696 PolarHBondContact O-N 3.04Å; H694-R696 VanDerWaalsContact C-N 3.33Å; H694-R696 PolarHBondContact O-N 2.76Å; R696-M699 PolarHBondContact O-N 3.42Å; R696-E700 PolarHBondContact O-N 3.36Å
697	D	60.4	Low	58.5	Low	80 Å²	80	112.4 Å²	112.4	43%	0.428	53%	0.527	S	S	.	.	H	α-helix	trans	-69.5	-34.8	-178.7	-63.8	-5.4	0	0	0	111.1	H693 H694 L701	H693-D697 WeakPolarHBondContact O-CB 3.23Å; H693-D697 PolarHBondContact O-N 2.97Å; H694-D697 PolarHBondContact O-N 2.92Å; D697-L701 PolarHBondContact O-N 3.11Å
698	E	59.3	Low	58.8	Low	106 Å²	106	109.3 Å²	109.3	50%	0.495	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-43.7	169.3	-78.4	-171.1	142.1	0	0	112.3	H694 L701 L702	H694-E698 VanDerWaalsContact CE1-CD 3.4Å; H694-E698 IonicContact CE1-OE1 3.61Å; H694-E698 PolarHBondContact CE1-OE1 2.82Å; H694-E698 IonicContact CE1-OE2 2.93Å; H694-E698 IonicContact ND1-OE2 3.68Å; H694-E698 PolarHBondContact O-N 3.34Å; E698-L701 PolarHBondContact O-N 3.47Å; E698-L702 WeakPolarHBondContact O-CB 3.21Å; E698-L702 PolarHBondContact O-N 3.38Å
699	M	57.2	Low	58.6	Low	121 Å²	121	107 Å²	107	60%	0.596	51%	0.508	S	S	*	.	H	α-helix	trans	-64.8	-39.1	177.1	-78.4	-175.1	72.4	0	0	112.2	L695 R696 L701 L702 V703	L695-M699 WeakPolarHBondContact O-CB 3.42Å; L695-M699 VanDerWaalsContact O-CG 3.32Å; L695-M699 WeakPolarHBondContact O-CG 3.41Å; L695-M699 PolarHBondContact O-N 2.99Å; R696-M699 PolarHBondContact O-N 3.42Å; M699-L701 VanDerWaalsContact C-N 3.29Å; M699-L701 PolarHBondContact O-N 2.87Å; M699-L702 PolarHBondContact O-N 2.97Å; M699-V703 WeakPolarHBondContact O-CB 3.47Å; M699-V703 WeakPolarHBondContact O-CG2 3.45Å; M699-V703 PolarHBondContact O-N 3.09Å
700	E	58.2	Low	58.7	Low	94 Å²	94	106.7 Å²	106.7	44%	0.439	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-36.6	175	-83.4	-174.5	-173.6	0	0	112.1	R696 R704	R696-E700 PolarHBondContact O-N 3.36Å; E700-R704 WeakPolarHBondContact O-CG 3.33Å; E700-R704 PolarHBondContact O-N 2.95Å
701	L	58.2	Low	58.6	Low	97 Å²	97	103.2 Å²	103.2	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-70.4	-42.2	178.3	-137.9	138.4	0	0	0	111.3	D697 E698 M699 V703 R704 E705	D697-L701 PolarHBondContact O-N 3.11Å; E698-L701 PolarHBondContact O-N 3.47Å; M699-L701 VanDerWaalsContact C-N 3.29Å; M699-L701 PolarHBondContact O-N 2.87Å; L701-V703 VanDerWaalsContact C-N 3.33Å; L701-V703 PolarHBondContact O-N 3.33Å; L701-R704 PolarHBondContact O-N 2.85Å; L701-E705 PolarHBondContact O-N 3.05Å
702	L	58.1	Low	58.4	Low	105 Å²	105	97.1 Å²	97.1	55%	0.55	48%	0.482	S	S	.	.	H	α-helix	trans	-66.1	-36.3	176.5	-142.7	124.2	0	0	0	111.8	E698 M699 E705 L706	E698-L702 WeakPolarHBondContact O-CB 3.21Å; E698-L702 PolarHBondContact O-N 3.38Å; M699-L702 PolarHBondContact O-N 2.97Å; L702-E705 PolarHBondContact O-N 3.35Å; L702-L706 HydrophobicContact CD2-CD1 3.9Å; L702-L706 WeakPolarHBondContact O-CB 3.43Å; L702-L706 WeakPolarHBondContact O-CG 3.5Å; L702-L706 PolarHBondContact O-N 3.34Å
703	V	62.1	Low	58.4	Low	71 Å²	71	95.7 Å²	95.7	43%	0.43	48%	0.476	S	S	.	.	H	α-helix	trans	-65.7	-40.1	173.3	167.9	0	0	0	0	111.1	M699 L701 L706 Q707	M699-V703 WeakPolarHBondContact O-CB 3.47Å; M699-V703 WeakPolarHBondContact O-CG2 3.45Å; M699-V703 PolarHBondContact O-N 3.09Å; L701-V703 VanDerWaalsContact C-N 3.33Å; L701-V703 PolarHBondContact O-N 3.33Å; V703-L706 PolarHBondContact O-N 3.02Å; V703-Q707 HydrophobicContact CG1-CG 4.43Å; V703-Q707 WeakPolarHBondContact O-CB 3.36Å; V703-Q707 VanDerWaalsContact O-CG 3.26Å; V703-Q707 WeakPolarHBondContact O-CG 3.44Å; V703-Q707 PolarHBondContact O-N 3.48Å
704	R	59.2	Low	58.1	Low	171 Å²	171	98.4 Å²	98.4	65%	0.645	49%	0.488	S	S	*	.	H	α-helix	trans	-67.2	-39.8	175.4	-73.1	177.6	-170.5	-176.6	7.1	112.4	E700 L701 Q707 C708	E700-R704 WeakPolarHBondContact O-CG 3.33Å; E700-R704 PolarHBondContact O-N 2.95Å; L701-R704 PolarHBondContact O-N 2.85Å; R704-Q707 PolarHBondContact O-N 3.31Å; R704-C708 WeakPolarHBondContact O-CB 3.28Å; R704-C708 PolarHBondContact O-N 3.37Å
705	E	56.7	Low	57.9	Low	90 Å²	90	97.2 Å²	97.2	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-44.9	173.2	-83.2	-174.3	158.2	0	0	111.6	L701 L702 Q707 C708 N709	L701-E705 PolarHBondContact O-N 3.05Å; L702-E705 PolarHBondContact O-N 3.35Å; E705-Q707 PolarHBondContact O-N 3.19Å; E705-C708 PolarHBondContact O-N 3.48Å; E705-N709 WeakPolarHBondContact O-CB 3.47Å; E705-N709 PolarHBondContact O-N 3.38Å; E705-N709 PolarHBondContact O-ND2 3.06Å
706	L	62.8	Low	57.1	Low	89 Å²	89	97.3 Å²	97.3	47%	0.466	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-39.2	176	-81.1	163.7	0	0	0	112.4	L702 V703 N709 N710	L702-L706 HydrophobicContact CD2-CD1 3.9Å; L702-L706 WeakPolarHBondContact O-CB 3.43Å; L702-L706 WeakPolarHBondContact O-CG 3.5Å; L702-L706 PolarHBondContact O-N 3.34Å; V703-L706 PolarHBondContact O-N 3.02Å; L706-N709 PolarHBondContact O-N 2.9Å; L706-N710 VanDerWaalsContact O-CB 3.31Å; L706-N710 WeakPolarHBondContact O-CB 3.13Å; L706-N710 PolarHBondContact O-N 3.35Å; L706-N710 PolarHBondContact O-ND2 3.2Å
707	Q	59.6	Low	56	Low	122 Å²	122	93.4 Å²	93.4	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-66.3	-39.4	175	-78.9	175.1	-17.6	0	0	112.1	V703 R704 E705 N710 S711	V703-Q707 HydrophobicContact CG1-CG 4.43Å; V703-Q707 WeakPolarHBondContact O-CB 3.36Å; V703-Q707 VanDerWaalsContact O-CG 3.26Å; V703-Q707 WeakPolarHBondContact O-CG 3.44Å; V703-Q707 PolarHBondContact O-N 3.48Å; R704-Q707 PolarHBondContact O-N 3.31Å; E705-Q707 PolarHBondContact O-N 3.19Å; Q707-N710 PolarHBondContact O-N 3.34Å; Q707-S711 WeakPolarHBondContact O-CB 3.2Å; Q707-S711 PolarHBondContact O-N 3.3Å
708	C	54	Low	55.2	Low	48 Å²	48	91.8 Å²	91.8	32%	0.324	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-46.8	174.9	-167.8	0	0	0	0	110.8	R704 E705 N710 S711 I712	R704-C708 WeakPolarHBondContact O-CB 3.28Å; R704-C708 PolarHBondContact O-N 3.37Å; E705-C708 PolarHBondContact O-N 3.48Å; C708-N710 VanDerWaalsContact C-N 3.34Å; C708-N710 PolarHBondContact O-N 2.7Å; C708-S711 PolarHBondContact O-N 3.08Å; C708-I712 WeakPolarHBondContact O-CB 3.32Å; C708-I712 WeakPolarHBondContact O-CD1 3.45Å; C708-I712 WeakPolarHBondContact O-CG1 3.15Å; C708-I712 PolarHBondContact O-N 3.23Å
709	N	53.8	Low	54.6	Low	86 Å²	86	92 Å²	92	46%	0.46	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-42.5	176	-70.3	-19.2	0	0	0	111.9	E705 L706 I712 I713	E705-N709 WeakPolarHBondContact O-CB 3.47Å; E705-N709 PolarHBondContact O-N 3.38Å; E705-N709 PolarHBondContact O-ND2 3.06Å; L706-N709 PolarHBondContact O-N 2.9Å; N709-I712 PolarHBondContact O-N 3.09Å; N709-I713 WeakPolarHBondContact O-CD1 3.33Å; N709-I713 VanDerWaalsContact O-CG1 3.22Å; N709-I713 WeakPolarHBondContact O-CG1 3.25Å; N709-I713 PolarHBondContact O-N 3.02Å
710	N	60.1	Low	53.7	Low	85 Å²	85	92.3 Å²	92.3	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-67.3	-42.4	177.3	-75.2	-12.8	0	0	0	112.4	L706 Q707 C708 I712 I713 E714	L706-N710 VanDerWaalsContact O-CB 3.31Å; L706-N710 WeakPolarHBondContact O-CB 3.13Å; L706-N710 PolarHBondContact O-N 3.35Å; L706-N710 PolarHBondContact O-ND2 3.2Å; Q707-N710 PolarHBondContact O-N 3.34Å; C708-N710 VanDerWaalsContact C-N 3.34Å; C708-N710 PolarHBondContact O-N 2.7Å; N710-I712 VanDerWaalsContact C-N 3.25Å; N710-I712 PolarHBondContact O-N 3.24Å; N710-I713 PolarHBondContact O-N 3.18Å; N710-E714 WeakPolarHBondContact O-CG 3.3Å; N710-E714 PolarHBondContact O-N 2.73Å
711	S	55.6	Low	52.7	Low	75 Å²	75	92 Å²	92	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-62.4	-35	175.2	-177	0	0	0	0	112	Q707 C708 S715	Q707-S711 WeakPolarHBondContact O-CB 3.2Å; Q707-S711 PolarHBondContact O-N 3.3Å; C708-S711 PolarHBondContact O-N 3.08Å; S711-S715 PolarHBondContact O-N 2.77Å
712	I	53.3	Low	51.7	Low	54 Å²	54	92.9 Å²	92.9	28%	0.277	53%	0.526	S	S	.	.	H	α-helix	trans	-71.1	-42.1	174.6	-67.4	165.1	0	0	0	111	C708 N709 N710 E714 S715 L716	C708-I712 WeakPolarHBondContact O-CB 3.32Å; C708-I712 WeakPolarHBondContact O-CD1 3.45Å; C708-I712 WeakPolarHBondContact O-CG1 3.15Å; C708-I712 PolarHBondContact O-N 3.23Å; N709-I712 PolarHBondContact O-N 3.09Å; N710-I712 VanDerWaalsContact C-N 3.25Å; N710-I712 PolarHBondContact O-N 3.24Å; I712-E714 VanDerWaalsContact C-N 3.31Å; I712-E714 PolarHBondContact O-N 3.14Å; I712-S715 WeakPolarHBondContact CA-OG 3.17Å; I712-S715 WeakPolarHBondContact O-CB 3.15Å; I712-S715 PolarHBondContact O-N 3.46Å; I712-S715 VanDerWaalsContact O-N 3.13Å; I712-S715 PolarHBondContact O-OG 2.61Å; I712-L716 HydrophobicContact CG2-CD1 4.14Å; I712-L716 WeakPolarHBondContact O-CG 3.38Å; I712-L716 PolarHBondContact O-N 3.25Å
713	I	56.6	Low	50.9	Low	104 Å²	104	92.1 Å²	92.1	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-40.4	174.5	-70.1	161.9	0	0	0	111.1	N709 N710 S715 L716 G717	N709-I713 WeakPolarHBondContact O-CD1 3.33Å; N709-I713 VanDerWaalsContact O-CG1 3.22Å; N709-I713 WeakPolarHBondContact O-CG1 3.25Å; N709-I713 PolarHBondContact O-N 3.02Å; N710-I713 PolarHBondContact O-N 3.18Å; I713-S715 VanDerWaalsContact C-N 3.32Å; I713-S715 PolarHBondContact O-N 3.22Å; I713-L716 PolarHBondContact O-N 2.98Å; I713-G717 PolarHBondContact O-N 3.44Å
714	E	55.5	Low	49.8	Very low	145 Å²	145	92.2 Å²	92.2	68%	0.678	54%	0.543	S	S	*	.	H	α-helix	trans	-65	-36.4	174.5	-73.1	175.5	176.9	0	0	111.9	N710 I712 L716 G717 G718	N710-E714 WeakPolarHBondContact O-CG 3.3Å; N710-E714 PolarHBondContact O-N 2.73Å; I712-E714 VanDerWaalsContact C-N 3.31Å; I712-E714 PolarHBondContact O-N 3.14Å; E714-L716 VanDerWaalsContact C-N 3.32Å; E714-L716 PolarHBondContact O-N 3.39Å; E714-G717 PolarHBondContact O-N 3.17Å; E714-G718 PolarHBondContact O-N 3.38Å
715	S	50.6	Low	48.8	Very low	76 Å²	76	92.4 Å²	92.4	53%	0.531	56%	0.556	S	S	.	*	H	α-helix	trans	-68.4	-28.8	173.8	81.3	0	0	0	0	113.5	S711 I712 I713	S711-S715 PolarHBondContact O-N 2.77Å; I712-S715 WeakPolarHBondContact CA-OG 3.17Å; I712-S715 WeakPolarHBondContact O-CB 3.15Å; I712-S715 PolarHBondContact O-N 3.46Å; I712-S715 VanDerWaalsContact O-N 3.13Å; I712-S715 PolarHBondContact O-OG 2.61Å; I713-S715 VanDerWaalsContact C-N 3.32Å; I713-S715 PolarHBondContact O-N 3.22Å
716	L	42.8	Very low	47.7	Very low	105 Å²	105	97.4 Å²	97.4	55%	0.55	58%	0.579	S	S	.	*	H	α-helix	trans	-78.6	-34.9	172.1	-69.1	164	0	0	0	111.6	I712 I713 E714	I712-L716 HydrophobicContact CG2-CD1 4.14Å; I712-L716 WeakPolarHBondContact O-CG 3.38Å; I712-L716 PolarHBondContact O-N 3.25Å; I713-L716 PolarHBondContact O-N 2.98Å; E714-L716 VanDerWaalsContact C-N 3.32Å; E714-L716 PolarHBondContact O-N 3.39Å
717	G	41.7	Very low	46.3	Very low	37 Å²	37	98.1 Å²	98.1	38%	0.381	60%	0.598	S	S	.	*	H	α-helix	trans	-71.9	-33.8	178.7	0	0	0	0	0	114	I713 E714 V719 N720 S721	I713-G717 PolarHBondContact O-N 3.44Å; E714-G717 PolarHBondContact O-N 3.17Å; G717-V719 PolarHBondContact O-N 3.07Å; G717-N720 PolarHBondContact O-N 2.85Å; G717-N720 VanDerWaalsContact O-N 3.07Å; G717-S721 PolarHBondContact O-N 3.43Å; G717-S721 PolarHBondContact O-OG 3.42Å
718	G	44.6	Very low	44.9	Very low	47 Å²	47	95.4 Å²	95.4	49%	0.485	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-18	175.6	0	0	0	0	0	114.6	E714	E714-G718 PolarHBondContact O-N 3.38Å
719	V	45.6	Very low	43.9	Very low	109 Å²	109	99.3 Å²	99.3	66%	0.661	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-21	175.6	-178.1	0	0	0	0	111.9	G717	G717-V719 PolarHBondContact O-N 3.07Å
720	N	38	Very low	42.9	Very low	129 Å²	129	101.5 Å²	101.5	69%	0.69	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-18.5	178.7	-79.9	-18.7	0	0	0	114	G717	G717-N720 PolarHBondContact O-N 2.85Å; G717-N720 VanDerWaalsContact O-N 3.07Å
721	S	36.8	Very low	41.6	Very low	87 Å²	87	109 Å²	109	61%	0.608	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-7.6	-176.2	51.6	0	0	0	0	115.5	G717 A723	G717-S721 PolarHBondContact O-N 3.43Å; G717-S721 PolarHBondContact O-OG 3.42Å; S721-A723 VanDerWaalsContact C-N 3.33Å
722	S	38	Very low	40.3	Very low	115 Å²	115	111.2 Å²	111.2	80%	0.804	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	3.9	172.5	98.5	0	0	0	0	113.8
723	A	40.6	Very low	39.3	Very low	90 Å²	90	113.5 Å²	113.5	74%	0.744	70%	0.7	S	S	*	*	S	Bend	trans	-110.5	5.7	-179.2	0	0	0	0	0	114.1	S721	S721-A723 VanDerWaalsContact C-N 3.33Å
724	A	39.5	Very low	38.1	Very low	72 Å²	72	114.8 Å²	114.8	60%	0.595	71%	0.713	S	S	*	*	S	Bend	trans	-140.4	78.6	179.9	0	0	0	0	0	111.3
725	L	39.3	Very low	37	Very low	176 Å²	176	119.6 Å²	119.6	92%	0.921	74%	0.742	S	S	*	*			trans	-179.3	74.2	152.4	-96.2	151.7	0	0	0	109.8
726	E	32.9	Very low	36.4	Very low	194 Å²	194	121.8 Å²	121.8	91%	0.907	75%	0.752	S	S	*	*			trans	-126.9	114.9	146.9	-87.2	-167.8	164.8	0	0	108.1	G728	E726-G728 PolarHBondContact O-N 3.12Å
727	A	33.2	Very low	36	Very low	104 Å²	104	122.7 Å²	122.7	86%	0.86	76%	0.763	S	S	*	*			trans	-65.1	115.5	173.7	0	0	0	0	0	108.9
728	G	31.4	Very low	35.7	Very low	66 Å²	66	127.4 Å²	127.4	68%	0.68	78%	0.784	S	S	*	*			trans	-63.6	140.8	175.1	0	0	0	0	0	111.6	E726 T730	E726-G728 PolarHBondContact O-N 3.12Å; G728-T730 PolarHBondContact O-N 3.21Å
729	P	32.3	Very low	35.2	Very low	129 Å²	129	132.2 Å²	132.2	84%	0.838	80%	0.802	S	S	*	*			trans	-70.9	131.3	170.4	28	-29.7	0	0	0	109.8	R731	P729-R731 PolarHBondContact O-N 2.63Å
730	T	32.5	Very low	34.5	Very low	133 Å²	133	133.6 Å²	133.6	82%	0.816	81%	0.811	S	S	*	*			trans	-43.3	122.3	170.9	44.8	0	0	0	0	113	G728	G728-T730 PolarHBondContact O-N 3.21Å
731	R	32	Very low	34.3	Very low	242 Å²	242	133.9 Å²	133.9	91%	0.913	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-69.8	130.9	158.9	-87.8	-178.1	171.4	175.3	-2.5	109.6	P729	P729-R731 PolarHBondContact O-N 2.63Å
732	P	30.1	Very low	34.1	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-78.4	131.4	158	2.4	15.2	0	0	0	109.4
733	S	30.7	Very low	33.8	Very low	103 Å²	103	139 Å²	139	72%	0.72	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-58.7	129.3	158.3	49.5	0	0	0	0	111
734	T	32.9	Very low	33.3	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	84%	0.844	S	S	*	*				163.3	135.8	124.5	40.6	0	0	0	0	111.4
735	L	32.3	Very low	32.7	Very low	247 Å²	247	149.5 Å²	149.5	100%	1.293	87%	0.866	S	S	*	*			trans	72	0	164.1	-71.9	160.2	0	0	0	118.7

Retrieved 735 of 735 residues in 160.1 ms (Link to these results)

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