A0A060XFG5_ONCMY Loading...

Peptidase M14 domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XFG5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cpb2, Length 427 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	37.5	Very low	242 Å²	242	158.3 Å²	158.3	100%	1.192	83%	0.834	S	S	*	*				0	119	0	-91.7	175.2	-107.5	0	0	108.7
2	K	36.4	Very low	37.2	Very low	206 Å²	206	156.4 Å²	156.4	90%	0.896	83%	0.825	S	S	*	*			trans	51.8	98.6	158.8	-61.1	-175.4	178.6	-178.5	0	118.7
3	A	33.9	Very low	37.4	Very low	96 Å²	96	158.6 Å²	158.6	79%	0.793	82%	0.824	S	S	*	*			trans	-82	131.4	152.1	0	0	0	0	0	109.1
4	L	41.9	Very low	37.3	Very low	166 Å²	166	161.9 Å²	161.9	87%	0.869	82%	0.822	S	S	*	*			trans	-73.7	125.9	170.2	-88.2	99.9	0	0	0	109.6
5	L	35.8	Very low	37.3	Very low	152 Å²	152	164.5 Å²	164.5	80%	0.796	83%	0.826	S	S	*	*			trans	-105.9	111.4	166.2	-105.2	130.2	0	0	0	108.3
6	I	40.8	Very low	37.2	Very low	152 Å²	152	163.9 Å²	163.9	78%	0.779	83%	0.825	S	S	*	*			trans	-80.8	117.8	171.8	-64	171.3	0	0	0	107.1
7	W	33.5	Very low	37.1	Very low	225 Å²	225	161.1 Å²	161.1	85%	0.852	82%	0.821	S	S	*	*			trans	-81.9	112.2	170.4	-90	59.4	0	0	0	109.4
8	A	37.1	Very low	37.4	Very low	89 Å²	89	163.2 Å²	163.2	74%	0.736	82%	0.823	S	S	*	*			trans	-87	114.6	166.1	0	0	0	0	0	108.9	L10	A8-L10 PolarHBondContact O-N 3.19Å
9	V	39	Very low	37.4	Very low	116 Å²	116	161.6 Å²	161.6	70%	0.703	82%	0.823	S	S	*	*			trans	-80.1	107.2	172.1	176.3	0	0	0	0	108	L11	V9-L11 HydrophobicContact CG1-CG 4.46Å; V9-L11 PolarHBondContact O-N 3.45Å
10	L	39	Very low	37.5	Very low	160 Å²	160	157.1 Å²	157.1	84%	0.838	82%	0.818	S	S	*	*			trans	-75.9	99.8	166.6	-83.8	161	0	0	0	108.7	A8 N12	A8-L10 PolarHBondContact O-N 3.19Å; L10-N12 PolarHBondContact O-N 3.37Å
11	L	38.5	Very low	37.8	Very low	137 Å²	137	157.4 Å²	157.4	72%	0.717	82%	0.821	S	S	*	*			trans	-70.7	93.7	164.3	-85.2	156.2	0	0	0	108.5	V9 F13	V9-L11 HydrophobicContact CG1-CG 4.46Å; V9-L11 PolarHBondContact O-N 3.45Å; L11-F13 HydrophobicContact CB-CE2 4.5Å; L11-F13 PolarHBondContact O-N 3.49Å; L11-F13 VanDerWaalsContact O-N 3.07Å
12	N	34.4	Very low	38.2	Very low	136 Å²	136	151.8 Å²	151.8	73%	0.727	80%	0.804	S	S	*	*			trans	-65.9	100.3	162.5	-101.1	-32.9	0	0	0	108.1	L10 Y14	L10-N12 PolarHBondContact O-N 3.37Å; N12-Y14 VanDerWaalsContact C-N 3.29Å; N12-Y14 PolarHBondContact O-N 2.98Å
13	F	39.7	Very low	39.3	Very low	185 Å²	185	146 Å²	146	81%	0.811	80%	0.795	S	S	*	*			trans	-67.3	92.7	163.4	-79.5	-86.2	0	0	0	108.2	L11 K15	L11-F13 HydrophobicContact CB-CE2 4.5Å; L11-F13 PolarHBondContact O-N 3.49Å; L11-F13 VanDerWaalsContact O-N 3.07Å; F13-K15 PolarHBondContact O-N 3.38Å
14	Y	36	Very low	40.8	Very low	205 Å²	205	143.1 Å²	143.1	80%	0.804	77%	0.769	S	S	*	*			trans	-57.9	109.6	156.5	-88.2	-90.5	0	0	0	107.1	N12 L16	N12-Y14 VanDerWaalsContact C-N 3.29Å; N12-Y14 PolarHBondContact O-N 2.98Å; Y14-L16 VanDerWaalsContact C-N 3.27Å; Y14-L16 PolarHBondContact O-N 2.91Å
15	K	37.3	Very low	42.7	Very low	201 Å²	201	140.4 Å²	140.4	87%	0.874	76%	0.759	S	S	*	*			trans	-60.3	99	159.7	-82.3	-176.6	176.6	179.6	0	106.4	F13	F13-K15 PolarHBondContact O-N 3.38Å
16	L	35.4	Very low	45.4	Very low	154 Å²	154	136.3 Å²	136.3	81%	0.806	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-52.6	129.3	158.1	-79.6	155.3	0	0	0	106.5	Y14 K18	Y14-L16 VanDerWaalsContact C-N 3.27Å; Y14-L16 PolarHBondContact O-N 2.91Å; L16-K18 PolarHBondContact O-N 3.33Å; L16-K18 VanDerWaalsContact O-N 3.12Å
17	P	36.7	Very low	48	Very low	117 Å²	117	130.9 Å²	130.9	76%	0.76	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-57.7	125.1	169.2	-3.7	16.2	0	0	0	105.8	T19	P17-T19 PolarHBondContact O-N 3.08Å
18	K	41.3	Very low	51	Low	199 Å²	199	121.1 Å²	121.1	87%	0.865	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-48.6	122.8	159.3	-76.7	-175.5	173.9	-173.4	0	105.2	L16 G20	L16-K18 PolarHBondContact O-N 3.33Å; L16-K18 VanDerWaalsContact O-N 3.12Å; K18-G20 PolarHBondContact O-N 2.95Å
19	T	38.1	Very low	53.9	Low	133 Å²	133	116.9 Å²	116.9	82%	0.816	64%	0.637	S	S	*	*			trans	-40.2	118.3	167.8	43	0	0	0	0	107.1	P17 D21	P17-T19 PolarHBondContact O-N 3.08Å; T19-D21 PolarHBondContact O-N 3.19Å
20	G	38.3	Very low	56.7	Low	70 Å²	70	111.4 Å²	111.4	72%	0.722	60%	0.604	S	S	*	*			trans	-55.8	114.2	-175.9	0	0	0	0	0	108.8	K18 C22	K18-G20 PolarHBondContact O-N 2.95Å; G20-C22 PolarHBondContact O-N 2.78Å
21	D	43.7	Very low	59.5	Low	164 Å²	164	103.8 Å²	103.8	88%	0.877	56%	0.564	S	S	*	*			trans	-58.9	102.1	150.9	-88.7	-34	0	0	0	104.4	T19 A23	T19-D21 PolarHBondContact O-N 3.19Å; D21-A23 PolarHBondContact O-N 3.49Å
22	C	45.4	Very low	62.3	Low	125 Å²	125	97.3 Å²	97.3	85%	0.845	53%	0.53	S	S	*	.			trans	-60.6	93	158.3	-76	0	0	0	0	105	G20 S24	G20-C22 PolarHBondContact O-N 2.78Å; C22-S24 PolarHBondContact O-N 2.84Å
23	A	58.8	Low	65.3	Low	84 Å²	84	94 Å²	94	69%	0.694	51%	0.51	S	S	*	.			trans	-51.2	116.6	167.8	0	0	0	0	0	106.1	D21 T25	D21-A23 PolarHBondContact O-N 3.49Å; A23-T25 PolarHBondContact O-N 2.96Å
24	S	66	Low	68	Low	36 Å²	36	85.2 Å²	85.2	25%	0.252	47%	0.472	S	S	.	.			trans	-54.8	131	-179.9	179.6	0	0	0	0	108.2	C22 H26 Q28	C22-S24 PolarHBondContact O-N 2.84Å; S24-H26 VanDerWaalsContact C-N 3.27Å; S24-H26 PolarHBondContact OG-N 2.69Å; S24-H26 PolarHBondContact OG-O 3.43Å; S24-Q28 PolarHBondContact OG-NE2 3Å
25	T	82.7	Confident	70.9	Confident	108 Å²	108	79 Å²	79	66%	0.663	46%	0.455	S	S	*	.			trans	-88.6	0.9	178.9	52	0	0	0	0	112.5	A23 A75	A23-T25 PolarHBondContact O-N 2.96Å; T25-A75 WeakPolarHBondContact O-CB 3.47Å
26	H	92.4	Very high	73.7	Confident	66 Å²	66	72.4 Å²	72.4	31%	0.306	43%	0.432	S	S	.	.	S	Bend	trans	-114.6	149.9	-173.8	-48.1	110.1	0	0	0	111.2	S24 A75 N98	S24-H26 VanDerWaalsContact C-N 3.27Å; S24-H26 PolarHBondContact OG-N 2.69Å; S24-H26 PolarHBondContact OG-O 3.43Å; H26-A75 VanDerWaalsContact C-CB 3.49Å; H26-N98 HydrophobicContact CB-CB 4.14Å
27	D	95.1	Very high	76.5	Confident	39 Å²	39	71.7 Å²	71.7	21%	0.209	42%	0.424	C	S	.	.			trans	-63	139.4	171.1	-66	-16.1	0	0	0	109.6	F72 P74 A75 T99 E100	D27-F72 HydrophobicContact CB-CE2 3.68Å; D27-F72 HydrophobicContact CB-CZ 3.68Å; D27-F72 VanDerWaalsContact OD2-CZ 3.3Å; D27-F72 WeakPolarHBondContact OD2-CZ 3.47Å; D27-P74 WeakPolarHBondContact OD1-CA 3.4Å; D27-A75 PolarHBondContact OD1-N 2.61Å; D27-T99 VanDerWaalsContact CB-OG1 3.25Å; D27-T99 WeakPolarHBondContact CB-OG1 3.47Å; D27-T99 WeakPolarHBondContact O-CG2 3.27Å; D27-T99 PolarHBondContact O-N 3.09Å; D27-T99 VanDerWaalsContact O-N 3.16Å; D27-T99 PolarHBondContact O-OG1 2.8Å; D27-E100 WeakPolarHBondContact CB-OE1 3.48Å; D27-E100 VanDerWaalsContact CG-OE1 3.23Å; D27-E100 PolarHBondContact N-OE1 2.97Å; D27-E100 PolarHBondContact N-OE2 2.74Å
28	Q	96.7	Very high	79.3	Confident	20 Å²	20	73.1 Å²	73.1	9%	0.093	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.6	-175.6	-66.1	-163	-22.3	0	0	112.6	S24 L30 F72 V73 L78 L96 D97	S24-Q28 PolarHBondContact OG-NE2 3Å; Q28-L30 HydrophobicContact CB-CD2 4.39Å; Q28-F72 CarbonylContact O-C 3.57Å; Q28-F72 WeakPolarHBondContact O-CA 3.35Å; Q28-V73 PolarHBondContact N-O 3.35Å; Q28-V73 PolarHBondContact O-N 3.43Å; Q28-L78 HydrophobicContact CB-CD1 4.08Å; Q28-L78 HydrophobicContact CG-CD1 4.32Å; Q28-L78 HydrophobicContact CG-CD2 3.88Å; Q28-L96 WeakPolarHBondContact CA-O 3.33Å; Q28-L96 WeakPolarHBondContact CB-O 3.26Å; Q28-D97 WeakPolarHBondContact CG-O 3.39Å; Q28-D97 PolarHBondContact NE2-O 3.43Å
29	V	97.4	Very high	81.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.7	165.2	-177.2	0	0	0	0	109.1	W55 L71 F72 L95 L96 T99	V29-W55 HydrophobicContact CG1-CD2 4.34Å; V29-W55 HydrophobicContact CG1-CE3 3.97Å; V29-W55 HydrophobicContact CG1-CZ3 4.14Å; V29-W55 HydrophobicContact CG2-CD2 4.43Å; V29-W55 HydrophobicContact CG2-CE3 4.34Å; V29-W55 HydrophobicContact CG2-CH2 3.71Å; V29-W55 HydrophobicContact CG2-CZ2 3.79Å; V29-W55 HydrophobicContact CG2-CZ3 3.97Å; V29-L71 WeakPolarHBondContact CA-O 3.43Å; V29-F72 HydrophobicContact CG2-CB 4.35Å; V29-F72 HydrophobicContact CG2-CD2 4.13Å; V29-L95 HydrophobicContact CB-CB 4.41Å; V29-L95 HydrophobicContact CG1-CB 4.31Å; V29-L95 HydrophobicContact CG1-CD1 4.05Å; V29-L95 WeakPolarHBondContact O-CB 3.4Å; V29-L95 PolarHBondContact O-N 2.81Å; V29-L96 HydrophobicContact CB-CB 4.08Å; V29-L96 HydrophobicContact CB-CD1 4.3Å; V29-L96 HydrophobicContact CB-CG 4.34Å; V29-L96 HydrophobicContact CG2-CB 4.25Å; V29-L96 HydrophobicContact CG2-CD1 3.95Å; V29-L96 HydrophobicContact CG2-CG 4.47Å; V29-L96 PolarHBondContact N-O 2.7Å; V29-L96 PolarHBondContact O-N 3.22Å; V29-T99 HydrophobicContact CG2-CG2 3.86Å
30	L	97.6	Very high	84.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.5	179.4	-52.7	-177.2	0	0	0	110.4	Q28 I32 H70 L71 V73 V81 L85 Q93 V94	Q28-L30 HydrophobicContact CB-CD2 4.39Å; L30-I32 HydrophobicContact CB-CD1 4.49Å; L30-I32 HydrophobicContact CB-CG1 4.17Å; L30-H70 CarbonylContact O-C 3.58Å; L30-H70 VanDerWaalsContact O-CA 3.3Å; L30-H70 WeakPolarHBondContact O-CA 3.15Å; L30-L71 PolarHBondContact N-O 2.91Å; L30-L71 PolarHBondContact O-N 3.43Å; L30-V73 HydrophobicContact CD1-CG2 3.96Å; L30-V73 HydrophobicContact CG-CG2 4.18Å; L30-V81 HydrophobicContact CD1-CG1 4.37Å; L30-L85 HydrophobicContact CD1-CD1 3.85Å; L30-Q93 CarbonylContact C-O 3.52Å; L30-Q93 VanDerWaalsContact CA-O 3.31Å; L30-Q93 WeakPolarHBondContact CA-O 3.11Å; L30-V94 HydrophobicContact CD2-CB 4.46Å; L30-V94 HydrophobicContact CD2-CG2 3.9Å
31	S	97.8	Very high	87.5	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.007	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121	158.9	168.5	0	0	0	0	108.4	Q33 E68 V69 H92 Q93	S31-Q33 PolarHBondContact OG-NE2 3.23Å; S31-E68 PolarHBondContact OG-OE1 3.01Å; S31-V69 CarbonylContact C-O 3.54Å; S31-V69 WeakPolarHBondContact CA-O 3.05Å; S31-H92 CarbonylContact O-C 3.43Å; S31-H92 WeakPolarHBondContact O-CA 3.32Å; S31-H92 WeakPolarHBondContact O-CB 3.38Å; S31-Q93 PolarHBondContact N-O 2.77Å; S31-Q93 PolarHBondContact O-N 2.67Å
32	I	97.8	Very high	89.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.1	-177.4	-55.1	163.2	0	0	0	108.3	L30 V43 V69 L71 L85 L90 H92	L30-I32 HydrophobicContact CB-CD1 4.49Å; L30-I32 HydrophobicContact CB-CG1 4.17Å; I32-V43 HydrophobicContact CG2-CG2 4.01Å; I32-V69 HydrophobicContact CB-CB 4.35Å; I32-V69 PolarHBondContact N-O 2.66Å; I32-V69 PolarHBondContact O-N 3.41Å; I32-L71 HydrophobicContact CD1-CB 4.14Å; I32-L71 HydrophobicContact CD1-CD2 4.05Å; I32-L85 HydrophobicContact CD1-CD1 4.02Å; I32-L85 HydrophobicContact CD1-CD2 4.03Å; I32-L85 HydrophobicContact CG1-CD1 4.13Å; I32-L85 HydrophobicContact CG1-CD2 4.45Å; I32-L85 HydrophobicContact CG2-CD2 4.18Å; I32-L90 HydrophobicContact CG2-CB 4.38Å; I32-L90 HydrophobicContact CG2-CD2 4.19Å; I32-H92 HydrophobicContact CG1-CB 4.01Å
33	Q	97.4	Very high	92.4	Very high	67 Å²	67	47.5 Å²	47.5	31%	0.313	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.6	179.2	-60.5	-61.5	-34.7	0	0	110	S31 E68 T91	S31-Q33 PolarHBondContact OG-NE2 3.23Å; Q33-E68 PolarHBondContact NE2-OE1 3.1Å; Q33-T91 PolarHBondContact N-O 3.16Å
34	V	96.9	Very high	94.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.241	C	C	.	.			trans	-92.2	121.9	177.4	-176.3	0	0	0	0	109	Q39 A40 V43 I63 G64 H66 T67 V69	V34-Q39 HydrophobicContact CG1-CB 3.98Å; V34-A40 HydrophobicContact CG1-CB 3.74Å; V34-V43 HydrophobicContact CG2-CB 4.31Å; V34-V43 HydrophobicContact CG2-CG2 3.95Å; V34-I63 HydrophobicContact CG2-CG2 4.11Å; V34-G64 WeakPolarHBondContact CG1-O 3.15Å; V34-H66 CarbonylContact O-C 3.53Å; V34-H66 WeakPolarHBondContact O-CA 3.15Å; V34-H66 PolarHBondContact O-N 3.34Å; V34-T67 VanDerWaalsContact CB-O 3.31Å; V34-T67 WeakPolarHBondContact CB-O 3.31Å; V34-T67 PolarHBondContact N-O 3.29Å; V34-T67 PolarHBondContact O-N 2.88Å; V34-V69 HydrophobicContact CG2-CG2 4.02Å
35	T	95.8	Very high	95.6	Very high	74 Å²	74	48.3 Å²	48.3	45%	0.454	25%	0.25	S	C	.	.			trans	-111.5	-22	-177.6	63.4	0	0	0	0	113.7	Q39	T35-Q39 PolarHBondContact OG1-OE1 2.87Å
36	T	95.8	Very high	96.2	Very high	62 Å²	62	43.3 Å²	43.3	38%	0.38	22%	0.219	S	C	.	.	S	Bend	trans	-130.5	161.7	-177.5	68.1	0	0	0	0	112.1	Q38 Q39 A40	T36-Q38 VanDerWaalsContact C-N 3.32Å; T36-Q38 PolarHBondContact O-N 3.08Å; T36-Q39 WeakPolarHBondContact O-CB 3.28Å; T36-Q39 PolarHBondContact O-N 2.94Å; T36-Q39 WeakPolarHBondContact OG1-CB 3.5Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.4Å; T36-Q39 PolarHBondContact OG1-N 3.25Å; T36-A40 PolarHBondContact O-N 3.13Å
37	H	94.6	Very high	96.3	Very high	140 Å²	140	40.7 Å²	40.7	65%	0.648	21%	0.207	S	C	*	.	H	α-helix	trans	-62.2	-38.1	174.9	-70.6	-70.9	0	0	0	112.8	Q39 A40 D41	H37-Q39 PolarHBondContact O-N 2.7Å; H37-A40 VanDerWaalsContact O-CB 3.32Å; H37-A40 WeakPolarHBondContact O-CB 3.04Å; H37-A40 PolarHBondContact O-N 2.71Å; H37-A40 VanDerWaalsContact O-N 3.14Å; H37-D41 PolarHBondContact O-N 3.07Å
38	Q	95.1	Very high	96	Very high	146 Å²	146	42.8 Å²	42.8	68%	0.682	23%	0.226	S	C	*	.	H	α-helix	trans	-63.2	-43	176.5	-175.6	-179.2	5.5	0	0	111.6	T36 A40 D41 I42	T36-Q38 VanDerWaalsContact C-N 3.32Å; T36-Q38 PolarHBondContact O-N 3.08Å; Q38-A40 VanDerWaalsContact C-N 3.3Å; Q38-A40 PolarHBondContact O-N 3.25Å; Q38-D41 PolarHBondContact O-N 2.87Å; Q38-I42 HydrophobicContact CG-CD1 4.36Å; Q38-I42 WeakPolarHBondContact O-CD1 3.32Å; Q38-I42 WeakPolarHBondContact O-CG1 3.39Å; Q38-I42 PolarHBondContact O-N 3.04Å
39	Q	96.7	Very high	95.7	Very high	25 Å²	25	45.8 Å²	45.8	12%	0.117	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-39.8	173	-82	-178.2	-14.6	0	0	111.8	V34 T35 T36 H37 D41 I42 V43 H89 L90	V34-Q39 HydrophobicContact CG1-CB 3.98Å; T35-Q39 PolarHBondContact OG1-OE1 2.87Å; T36-Q39 WeakPolarHBondContact O-CB 3.28Å; T36-Q39 PolarHBondContact O-N 2.94Å; T36-Q39 WeakPolarHBondContact OG1-CB 3.5Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.4Å; T36-Q39 PolarHBondContact OG1-N 3.25Å; H37-Q39 PolarHBondContact O-N 2.7Å; Q39-D41 VanDerWaalsContact C-N 3.34Å; Q39-D41 PolarHBondContact O-N 2.8Å; Q39-I42 PolarHBondContact O-N 2.86Å; Q39-V43 WeakPolarHBondContact O-CG2 3.19Å; Q39-V43 PolarHBondContact O-N 3.48Å; Q39-H89 PolarHBondContact NE2-O 3.16Å; Q39-L90 HydrophobicContact CB-CD2 3.68Å; Q39-L90 HydrophobicContact CG-CD2 3.6Å; Q39-L90 HydrophobicContact CG-CG 4.16Å
40	A	96.9	Very high	95.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-45.1	177.2	0	0	0	0	0	111.5	V34 T36 H37 Q38 I42 V43 K44 I63	V34-A40 HydrophobicContact CG1-CB 3.74Å; T36-A40 PolarHBondContact O-N 3.13Å; H37-A40 VanDerWaalsContact O-CB 3.32Å; H37-A40 WeakPolarHBondContact O-CB 3.04Å; H37-A40 PolarHBondContact O-N 2.71Å; H37-A40 VanDerWaalsContact O-N 3.14Å; Q38-A40 VanDerWaalsContact C-N 3.3Å; Q38-A40 PolarHBondContact O-N 3.25Å; A40-I42 VanDerWaalsContact C-N 3.31Å; A40-I42 PolarHBondContact O-N 3.43Å; A40-V43 PolarHBondContact O-N 3.38Å; A40-K44 WeakPolarHBondContact O-CB 3.44Å; A40-K44 VanDerWaalsContact O-CG 3.23Å; A40-K44 WeakPolarHBondContact O-CG 3.5Å; A40-K44 PolarHBondContact O-N 3.08Å; A40-I63 HydrophobicContact CB-CG2 4.11Å
41	D	95.9	Very high	95.1	Very high	98 Å²	98	55.3 Å²	55.3	52%	0.524	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-34.7	179.9	-65.2	-24.9	0	0	0	112.7	H37 Q38 Q39 K44 N45	H37-D41 PolarHBondContact O-N 3.07Å; Q38-D41 PolarHBondContact O-N 2.87Å; Q39-D41 VanDerWaalsContact C-N 3.34Å; Q39-D41 PolarHBondContact O-N 2.8Å; D41-K44 IonicContact OD1-NZ 2.83Å; D41-K44 PolarHBondContact OD1-NZ 3.21Å; D41-N45 PolarHBondContact O-N 2.97Å; D41-N45 VanDerWaalsContact O-N 3.11Å
42	I	95.9	Very high	94.9	Very high	30 Å²	30	56 Å²	56	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-50	173.4	-66.9	157.6	0	0	0	110.4	Q38 Q39 A40 K44 N45 I46 H88 L90	Q38-I42 HydrophobicContact CG-CD1 4.36Å; Q38-I42 WeakPolarHBondContact O-CD1 3.32Å; Q38-I42 WeakPolarHBondContact O-CG1 3.39Å; Q38-I42 PolarHBondContact O-N 3.04Å; Q39-I42 PolarHBondContact O-N 2.86Å; A40-I42 VanDerWaalsContact C-N 3.31Å; A40-I42 PolarHBondContact O-N 3.43Å; I42-K44 VanDerWaalsContact C-N 3.31Å; I42-K44 PolarHBondContact O-N 2.85Å; I42-N45 WeakPolarHBondContact O-CB 3.32Å; I42-N45 PolarHBondContact O-N 3.33Å; I42-N45 VanDerWaalsContact O-N 3.15Å; I42-I46 HydrophobicContact CG2-CD1 3.91Å; I42-I46 WeakPolarHBondContact O-CG1 3.32Å; I42-I46 PolarHBondContact O-N 3.2Å; I42-H88 HydrophobicContact CD1-CB 3.84Å; I42-H88 WeakPolarHBondContact CD1-ND1 3.43Å; I42-H88 HydrophobicContact CG2-CB 4.41Å; I42-L90 HydrophobicContact CG2-CD1 3.89Å
43	V	97.1	Very high	94.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-36.7	-179	179.1	0	0	0	0	111.1	I32 V34 Q39 A40 N45 I46 S47 I63 V69 L90	I32-V43 HydrophobicContact CG2-CG2 4.01Å; V34-V43 HydrophobicContact CG2-CB 4.31Å; V34-V43 HydrophobicContact CG2-CG2 3.95Å; Q39-V43 WeakPolarHBondContact O-CG2 3.19Å; Q39-V43 PolarHBondContact O-N 3.48Å; A40-V43 PolarHBondContact O-N 3.38Å; V43-N45 VanDerWaalsContact C-N 3.33Å; V43-N45 PolarHBondContact O-N 3.09Å; V43-I46 PolarHBondContact O-N 3.49Å; V43-S47 VanDerWaalsContact O-CB 3.27Å; V43-S47 WeakPolarHBondContact O-CB 3.2Å; V43-S47 PolarHBondContact O-N 3.35Å; V43-S47 PolarHBondContact O-OG 3.23Å; V43-I63 HydrophobicContact CB-CG2 4.41Å; V43-I63 HydrophobicContact CG1-CD1 4.09Å; V43-I63 HydrophobicContact CG1-CG2 4.44Å; V43-V69 HydrophobicContact CG1-CB 4.27Å; V43-V69 HydrophobicContact CG1-CG1 4.04Å; V43-V69 HydrophobicContact CG1-CG2 4.1Å; V43-L90 HydrophobicContact CG2-CD1 3.76Å; V43-L90 HydrophobicContact CG2-CD2 3.86Å; V43-L90 HydrophobicContact CG2-CG 4.48Å
44	K	96.3	Very high	94.8	Very high	57 Å²	57	54.5 Å²	54.5	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-46.9	171.3	-74.8	174.3	-167.7	162.5	0	111.9	A40 D41 I42 S47 S48 P60 I63	A40-K44 WeakPolarHBondContact O-CB 3.44Å; A40-K44 VanDerWaalsContact O-CG 3.23Å; A40-K44 WeakPolarHBondContact O-CG 3.5Å; A40-K44 PolarHBondContact O-N 3.08Å; D41-K44 IonicContact OD1-NZ 2.83Å; D41-K44 PolarHBondContact OD1-NZ 3.21Å; I42-K44 VanDerWaalsContact C-N 3.31Å; I42-K44 PolarHBondContact O-N 2.85Å; K44-S47 WeakPolarHBondContact CA-OG 3.33Å; K44-S47 PolarHBondContact O-N 3.09Å; K44-S47 PolarHBondContact O-OG 3.38Å; K44-S48 PolarHBondContact O-N 2.76Å; K44-S48 VanDerWaalsContact O-N 3.1Å; K44-S48 PolarHBondContact O-OG 3.42Å; K44-P60 HydrophobicContact CB-CB 4.11Å; K44-P60 WeakPolarHBondContact CE-O 3.39Å; K44-P60 HydrophobicContact CG-CB 3.92Å; K44-P60 VanDerWaalsContact CG-O 3.28Å; K44-P60 WeakPolarHBondContact CG-O 3.42Å; K44-I63 WeakPolarHBondContact CE-O 3.39Å; K44-I63 HydrophobicContact CG-CB 3.95Å; K44-I63 HydrophobicContact CG-CD1 4.22Å; K44-I63 HydrophobicContact CG-CG2 4.43Å; K44-I63 PolarHBondContact NZ-O 3.35Å
45	N	95.3	Very high	94.8	Very high	80 Å²	80	54.9 Å²	54.9	43%	0.428	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-47	179	-171.6	36.4	0	0	0	111.4	D41 I42 V43 S47 S48 Q49	D41-N45 PolarHBondContact O-N 2.97Å; D41-N45 VanDerWaalsContact O-N 3.11Å; I42-N45 WeakPolarHBondContact O-CB 3.32Å; I42-N45 PolarHBondContact O-N 3.33Å; I42-N45 VanDerWaalsContact O-N 3.15Å; V43-N45 VanDerWaalsContact C-N 3.33Å; V43-N45 PolarHBondContact O-N 3.09Å; N45-S47 VanDerWaalsContact C-N 3.3Å; N45-S47 PolarHBondContact O-N 3.48Å; N45-S48 PolarHBondContact O-N 3.11Å; N45-Q49 WeakPolarHBondContact O-CB 3.48Å; N45-Q49 VanDerWaalsContact O-CG 3.31Å; N45-Q49 WeakPolarHBondContact O-CG 3.33Å; N45-Q49 PolarHBondContact O-N 3.39Å; N45-Q49 PolarHBondContact OD1-NE2 2.89Å
46	I	95.8	Very high	94.8	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-55.5	-48.2	175.3	-67.9	169.5	0	0	0	110.3	I42 V43 S48 Q49 T52 L71 V81 L84 L85	I42-I46 HydrophobicContact CG2-CD1 3.91Å; I42-I46 WeakPolarHBondContact O-CG1 3.32Å; I42-I46 PolarHBondContact O-N 3.2Å; V43-I46 PolarHBondContact O-N 3.49Å; I46-S48 PolarHBondContact O-N 3.04Å; I46-Q49 CarbonylContact O-C 3.48Å; I46-Q49 PolarHBondContact O-N 2.87Å; I46-Q49 VanDerWaalsContact O-N 3.1Å; I46-T52 PolarHBondContact O-OG1 3.07Å; I46-L71 HydrophobicContact CG2-CD2 3.84Å; I46-V81 HydrophobicContact CG2-CG1 3.91Å; I46-V81 HydrophobicContact CG2-CG2 4.21Å; I46-L84 HydrophobicContact CD1-CB 4.05Å; I46-L84 HydrophobicContact CD1-CD1 4.5Å; I46-L84 HydrophobicContact CG1-CD1 4.18Å; I46-L85 HydrophobicContact CD1-CD2 3.83Å
47	S	94.1	Very high	94.7	Very high	10 Å²	10	50.9 Å²	50.9	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-18.5	-176.9	70.4	0	0	0	0	115.2	V43 K44 N45 T52 P60	V43-S47 VanDerWaalsContact O-CB 3.27Å; V43-S47 WeakPolarHBondContact O-CB 3.2Å; V43-S47 PolarHBondContact O-N 3.35Å; V43-S47 PolarHBondContact O-OG 3.23Å; K44-S47 WeakPolarHBondContact CA-OG 3.33Å; K44-S47 PolarHBondContact O-N 3.09Å; K44-S47 PolarHBondContact O-OG 3.38Å; N45-S47 VanDerWaalsContact C-N 3.3Å; N45-S47 PolarHBondContact O-N 3.48Å; S47-T52 WeakPolarHBondContact CA-OG1 3.42Å; S47-T52 PolarHBondContact O-OG1 2.92Å; S47-P60 WeakPolarHBondContact OG-CG 3.44Å
48	S	89.8	Confident	94.5	Very high	84 Å²	84	44.6 Å²	44.6	59%	0.587	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.3	177.5	-50.9	0	0	0	0	112.1	K44 N45 I46 P60	K44-S48 PolarHBondContact O-N 2.76Å; K44-S48 VanDerWaalsContact O-N 3.1Å; K44-S48 PolarHBondContact O-OG 3.42Å; N45-S48 PolarHBondContact O-N 3.11Å; I46-S48 PolarHBondContact O-N 3.04Å; S48-P60 WeakPolarHBondContact OG-CG 3.49Å
49	Q	89.5	Confident	94.4	Very high	82 Å²	82	38.1 Å²	38.1	38%	0.383	20%	0.202	S	C	.	.	S	Bend	trans	-125.2	176.8	-177.1	-67.1	-172.1	-4.3	0	0	110	N45 I46 E51 T52	N45-Q49 WeakPolarHBondContact O-CB 3.48Å; N45-Q49 VanDerWaalsContact O-CG 3.31Å; N45-Q49 WeakPolarHBondContact O-CG 3.33Å; N45-Q49 PolarHBondContact O-N 3.39Å; N45-Q49 PolarHBondContact OD1-NE2 2.89Å; I46-Q49 CarbonylContact O-C 3.48Å; I46-Q49 PolarHBondContact O-N 2.87Å; I46-Q49 VanDerWaalsContact O-N 3.1Å; Q49-E51 PolarHBondContact O-N 3.46Å; Q49-T52 PolarHBondContact O-N 3.4Å; Q49-T52 PolarHBondContact O-OG1 3.02Å
50	Y	91.8	Very high	94.3	Very high	70 Å²	70	38.5 Å²	38.5	28%	0.275	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	29.4	171.3	-44.4	-73.7	0	0	0	114.3	T52 K77 T80 V81 L84	Y50-T52 PolarHBondContact O-N 3.03Å; Y50-K77 WeakPolarHBondContact O-CG 3.34Å; Y50-T80 HydrophobicContact CD1-CG2 4.3Å; Y50-T80 HydrophobicContact CE1-CG2 3.92Å; Y50-V81 HydrophobicContact CD2-CG2 4.45Å; Y50-V81 HydrophobicContact CG-CG2 4.49Å; Y50-L84 HydrophobicContact CE2-CD1 3.89Å
51	E	90.9	Very high	94.1	Very high	131 Å²	131	42.8 Å²	42.8	61%	0.612	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	20.5	177.4	-60.9	157.2	-131.7	0	0	113.3	Q49 P74 K77	Q49-E51 PolarHBondContact O-N 3.46Å; E51-P74 HydrophobicContact CB-CG 4.2Å; E51-P74 WeakPolarHBondContact O-CG 3.44Å; E51-K77 IonicContact OE1-NZ 3.3Å
52	T	94.6	Very high	93.9	Very high	15 Å²	15	40.2 Å²	40.2	9%	0.092	21%	0.209	C	C	.	.			trans	-73.8	155	178.7	61.1	0	0	0	0	110.5	I46 S47 Q49 Y50 L71 F72 V73 V81	I46-T52 PolarHBondContact O-OG1 3.07Å; S47-T52 WeakPolarHBondContact CA-OG1 3.42Å; S47-T52 PolarHBondContact O-OG1 2.92Å; Q49-T52 PolarHBondContact O-N 3.4Å; Q49-T52 PolarHBondContact O-OG1 3.02Å; Y50-T52 PolarHBondContact O-N 3.03Å; T52-L71 HydrophobicContact CG2-CD2 4.23Å; T52-F72 WeakPolarHBondContact CA-O 3.41Å; T52-F72 WeakPolarHBondContact CB-O 3.43Å; T52-V73 HydrophobicContact CG2-CG1 4.32Å; T52-V73 HydrophobicContact CG2-CG2 4.22Å; T52-V81 HydrophobicContact CG2-CG2 4.21Å
53	V	96	Very high	93.9	Very high	23 Å²	23	39 Å²	39	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.3	-179.7	-176.5	0	0	0	0	110	W55 F72 M239	V53-W55 PolarHBondContact O-N 2.82Å; V53-F72 HydrophobicContact CB-CB 4.2Å; V53-F72 HydrophobicContact CB-CD1 4.12Å; V53-F72 HydrophobicContact CG2-CD1 4.15Å; V53-F72 PolarHBondContact N-O 3.01Å; V53-F72 WeakPolarHBondContact O-CB 3.49Å; V53-F72 PolarHBondContact O-N 2.72Å; V53-M239 HydrophobicContact CB-CB 4.34Å; V53-M239 HydrophobicContact CG1-CB 4.07Å; V53-M239 HydrophobicContact CG2-CB 4.2Å
54	L	96.6	Very high	93.7	Very high	12 Å²	12	40 Å²	40	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.2	174.3	-81.1	169.3	0	0	0	111.1	P57 P60 I63 V69 L71 R185	L54-P57 WeakPolarHBondContact CB-O 3.07Å; L54-P60 HydrophobicContact CD1-CB 4.42Å; L54-P60 HydrophobicContact CD1-CG 3.73Å; L54-I63 HydrophobicContact CD1-CD1 4.34Å; L54-I63 HydrophobicContact CD2-CD1 4.2Å; L54-V69 HydrophobicContact CD2-CG1 3.56Å; L54-L71 HydrophobicContact CD2-CD1 3.81Å; L54-L71 HydrophobicContact CG-CD1 4.1Å; L54-R185 PolarHBondContact O-NH2 3.29Å
55	W	96.9	Very high	93.5	Very high	9 Å²	9	38.6 Å²	38.6	3%	0.034	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-41.2	170.8	-78	22.8	0	0	0	112.1	V29 V53 H70 L96 M239 Y313 Y392 F394 L395	V29-W55 HydrophobicContact CG1-CD2 4.34Å; V29-W55 HydrophobicContact CG1-CE3 3.97Å; V29-W55 HydrophobicContact CG1-CZ3 4.14Å; V29-W55 HydrophobicContact CG2-CD2 4.43Å; V29-W55 HydrophobicContact CG2-CE3 4.34Å; V29-W55 HydrophobicContact CG2-CH2 3.71Å; V29-W55 HydrophobicContact CG2-CZ2 3.79Å; V29-W55 HydrophobicContact CG2-CZ3 3.97Å; V53-W55 PolarHBondContact O-N 2.82Å; W55-H70 HydrophobicContact CB-CB 3.93Å; W55-H70 WeakPolarHBondContact CB-O 3.41Å; W55-H70 PolarHBondContact N-O 2.88Å; W55-L96 HydrophobicContact CH2-CD1 3.93Å; W55-L96 HydrophobicContact CZ3-CD1 4.21Å; W55-M239 HydrophobicContact CZ2-CE 4Å; W55-M239 HydrophobicContact CZ2-SD 3.67Å; W55-M239 PolarHBondContact NE1-SD 2.89Å; W55-Y313 HydrophobicContact CB-CE1 4.1Å; W55-Y313 WeakPolarHBondContact CB-OH 3.49Å; W55-Y313 HydrophobicContact CE3-CE1 4.07Å; W55-Y392 WeakPolarHBondContact CH2-O 3.31Å; W55-Y392 WeakPolarHBondContact CZ3-O 3.48Å; W55-F394 HydrophobicContact CB-CD2 4.33Å; W55-F394 HydrophobicContact CB-CE2 3.71Å; W55-F394 AromaticContact CD1-CD2 3.74Å; W55-F394 AromaticContact CD1-CE2 3.63Å; W55-F394 AromaticContact CD2-CD2 3.5Å; W55-F394 HydrophobicContact CD2-CD2 3.5Å; W55-F394 AromaticContact CD2-CE2 3.82Å; W55-F394 HydrophobicContact CD2-CE2 3.82Å; W55-F394 AromaticContact CE2-CD2 3.55Å; W55-F394 HydrophobicContact CE3-CD2 4.1Å; W55-F394 AromaticContact CG-CD2 3.62Å; W55-F394 HydrophobicContact CG-CD2 3.62Å; W55-F394 AromaticContact CG-CE2 3.43Å; W55-F394 HydrophobicContact CG-CE2 3.43Å; W55-F394 VanDerWaalsContact CG-CE2 3.43Å; W55-F394 HydrophobicContact CZ2-CB 4.38Å; W55-F394 HydrophobicContact CZ2-CD2 4.15Å; W55-F394 AromaticContact NE1-CD2 3.67Å; W55-L395 HydrophobicContact CH2-CB 4.17Å; W55-L395 HydrophobicContact CH2-CD1 3.92Å; W55-L395 HydrophobicContact CH2-CG 3.77Å; W55-L395 HydrophobicContact CZ2-CD1 4.12Å; W55-L395 HydrophobicContact CZ2-CG 4.05Å
56	S	95.3	Very high	93.4	Very high	44 Å²	44	42.5 Å²	42.5	31%	0.308	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	132.4	175.1	-178	0	0	0	0	110	V69 H70 Y313	S56-V69 CarbonylContact O-C 3.59Å; S56-V69 VanDerWaalsContact O-CA 3.28Å; S56-V69 WeakPolarHBondContact O-CA 3.29Å; S56-H70 PolarHBondContact N-O 3.01Å; S56-H70 PolarHBondContact O-N 3.45Å; S56-Y313 WeakPolarHBondContact CB-OH 3.33Å
57	P	94.6	Very high	93.3	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.058	24%	0.237	C	C	.	.	S	Bend	cis	-66.5	168.4	-13.2	31.8	-35.7	0	0	0	111.5	L54 S59 Y62 I63 T67 Y363	L54-P57 WeakPolarHBondContact CB-O 3.07Å; P57-S59 PolarHBondContact O-N 3.24Å; P57-Y62 HydrophobicContact CB-CD2 4.2Å; P57-Y62 HydrophobicContact CB-CG 4.3Å; P57-I63 HydrophobicContact CG-CG1 3.86Å; P57-T67 HydrophobicContact CG-CG2 4.38Å; P57-Y363 HydrophobicContact CB-CE1 4.18Å
58	T	89.9	Confident	93.3	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.043	25%	0.254	C	S	.	.	S	Bend	trans	-70	-14.1	-171.7	-162.4	0	0	0	0	114.7	Y62 I278 Y363	T58-Y62 HydrophobicContact CG2-CD2 4.34Å; T58-Y62 HydrophobicContact CG2-CE2 3.92Å; T58-I278 HydrophobicContact CG2-CG2 3.63Å; T58-Y363 HydrophobicContact CG2-CE2 4.02Å; T58-Y363 VanDerWaalsContact CG2-OH 3.28Å; T58-Y363 WeakPolarHBondContact CG2-OH 3.31Å
59	S	93.5	Very high	93.7	Very high	11 Å²	11	43.8 Å²	43.8	8%	0.077	23%	0.226	C	C	.	.	S	Bend	trans	-145.8	147.2	-178.2	174.3	0	0	0	0	111.1	P57 E61 Y62 I278	P57-S59 PolarHBondContact O-N 3.24Å; S59-E61 PolarHBondContact O-N 3.31Å; S59-E61 VanDerWaalsContact O-N 3.13Å; S59-E61 WeakPolarHBondContact OG-CG 3.2Å; S59-Y62 PolarHBondContact O-N 3.43Å; S59-I278 WeakPolarHBondContact OG-CD1 3.5Å
60	P	93.7	Very high	94.1	Very high	33 Å²	33	40.3 Å²	40.3	21%	0.214	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-57.6	-26.4	177.2	-22.5	32.3	0	0	0	113.6	K44 S47 S48 L54 Y62 I63	K44-P60 HydrophobicContact CB-CB 4.11Å; K44-P60 WeakPolarHBondContact CE-O 3.39Å; K44-P60 HydrophobicContact CG-CB 3.92Å; K44-P60 VanDerWaalsContact CG-O 3.28Å; K44-P60 WeakPolarHBondContact CG-O 3.42Å; S47-P60 WeakPolarHBondContact OG-CG 3.44Å; S48-P60 WeakPolarHBondContact OG-CG 3.49Å; L54-P60 HydrophobicContact CD1-CB 4.42Å; L54-P60 HydrophobicContact CD1-CG 3.73Å; P60-Y62 PolarHBondContact O-N 3.1Å; P60-Y62 VanDerWaalsContact O-N 3.14Å; P60-I63 HydrophobicContact CB-CD1 4.47Å; P60-I63 WeakPolarHBondContact O-CB 3.5Å; P60-I63 PolarHBondContact O-N 3.16Å
61	E	92.3	Very high	94.4	Very high	91 Å²	91	37 Å²	37	43%	0.425	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-61.1	-24.2	-179.2	74.6	-172.8	167.8	0	0	113.8	S59 I278	S59-E61 PolarHBondContact O-N 3.31Å; S59-E61 VanDerWaalsContact O-N 3.13Å; S59-E61 WeakPolarHBondContact OG-CG 3.2Å; E61-I278 WeakPolarHBondContact OE1-CD1 3.22Å
62	Y	93	Very high	94.7	Very high	44 Å²	44	31.5 Å²	31.5	17%	0.173	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-89.2	-3.1	178.9	-56.3	-62.5	0	0	0	113.7	P57 T58 S59 P60 G64 G269 Y363 L364	P57-Y62 HydrophobicContact CB-CD2 4.2Å; P57-Y62 HydrophobicContact CB-CG 4.3Å; T58-Y62 HydrophobicContact CG2-CD2 4.34Å; T58-Y62 HydrophobicContact CG2-CE2 3.92Å; S59-Y62 PolarHBondContact O-N 3.43Å; P60-Y62 PolarHBondContact O-N 3.1Å; P60-Y62 VanDerWaalsContact O-N 3.14Å; Y62-G64 PolarHBondContact O-N 3Å; Y62-G269 VanDerWaalsContact OH-C 3.27Å; Y62-G269 WeakPolarHBondContact OH-CA 3.34Å; Y62-G269 PolarHBondContact OH-O 3.37Å; Y62-Y363 HydrophobicContact CD1-CD1 4.35Å; Y62-Y363 HydrophobicContact CD1-CD2 4.29Å; Y62-Y363 AromaticContact CD1-CG 3.86Å; Y62-Y363 HydrophobicContact CD1-CG 3.86Å; Y62-Y363 HydrophobicContact CD2-CD1 4.36Å; Y62-Y363 HydrophobicContact CD2-CD2 4.37Å; Y62-Y363 HydrophobicContact CD2-CG 4.33Å; Y62-Y363 AromaticContact CE1-CD2 3.77Å; Y62-Y363 HydrophobicContact CE1-CD2 3.77Å; Y62-Y363 AromaticContact CE1-CG 3.78Å; Y62-Y363 HydrophobicContact CE1-CG 3.78Å; Y62-Y363 AromaticContact CE2-CD2 3.89Å; Y62-Y363 HydrophobicContact CE2-CD2 3.89Å; Y62-Y363 AromaticContact CE2-CE2 3.99Å; Y62-Y363 HydrophobicContact CE2-CE2 3.99Å; Y62-Y363 HydrophobicContact CE2-CG 4.27Å; Y62-Y363 HydrophobicContact CG-CD1 4.2Å; Y62-Y363 HydrophobicContact CG-CG 4.13Å; Y62-Y363 AromaticContact CZ-CD2 3.56Å; Y62-Y363 AromaticContact CZ-CG 3.99Å; Y62-L364 PolarHBondContact OH-O 3.3Å
63	I	95.4	Very high	94.8	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	17%	0.166	C	C	.	.			trans	-78.8	109.7	178.6	-56.4	177.6	0	0	0	108.3	V34 A40 V43 K44 L54 P57 P60 V69	V34-I63 HydrophobicContact CG2-CG2 4.11Å; A40-I63 HydrophobicContact CB-CG2 4.11Å; V43-I63 HydrophobicContact CB-CG2 4.41Å; V43-I63 HydrophobicContact CG1-CD1 4.09Å; V43-I63 HydrophobicContact CG1-CG2 4.44Å; K44-I63 WeakPolarHBondContact CE-O 3.39Å; K44-I63 HydrophobicContact CG-CB 3.95Å; K44-I63 HydrophobicContact CG-CD1 4.22Å; K44-I63 HydrophobicContact CG-CG2 4.43Å; K44-I63 PolarHBondContact NZ-O 3.35Å; L54-I63 HydrophobicContact CD1-CD1 4.34Å; L54-I63 HydrophobicContact CD2-CD1 4.2Å; P57-I63 HydrophobicContact CG-CG1 3.86Å; P60-I63 HydrophobicContact CB-CD1 4.47Å; P60-I63 WeakPolarHBondContact O-CB 3.5Å; P60-I63 PolarHBondContact O-N 3.16Å; I63-V69 HydrophobicContact CD1-CG1 4.37Å; I63-V69 HydrophobicContact CD1-CG2 4.08Å; I63-V69 HydrophobicContact CG1-CG2 4.03Å; I63-V69 HydrophobicContact CG2-CG2 3.95Å
64	G	93.6	Very high	94.8	Very high	22 Å²	22	30.4 Å²	30.4	23%	0.227	16%	0.164	C	C	.	.			trans	-122	-174.9	177.5	0	0	0	0	0	112.3	V34 Y62 T67	V34-G64 WeakPolarHBondContact CG1-O 3.15Å; Y62-G64 PolarHBondContact O-N 3Å; G64-T67 PolarHBondContact N-OG1 3.26Å; G64-T67 WeakPolarHBondContact O-CB 3.31Å; G64-T67 PolarHBondContact O-N 3.15Å; G64-T67 PolarHBondContact O-OG1 3.46Å
65	A	91.3	Very high	94.7	Very high	28 Å²	28	31.1 Å²	31.1	23%	0.231	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	138.8	167.6	0	0	0	0	0	109.6	T67	A65-T67 VanDerWaalsContact C-N 3.3Å
66	H	92.1	Very high	94.6	Very high	161 Å²	161	36 Å²	36	75%	0.745	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	22.8	-176.5	-43.6	87.6	0	0	0	114.7	V34	V34-H66 CarbonylContact O-C 3.53Å; V34-H66 WeakPolarHBondContact O-CA 3.15Å; V34-H66 PolarHBondContact O-N 3.34Å
67	T	93.6	Very high	94.6	Very high	32 Å²	32	36.8 Å²	36.8	20%	0.196	20%	0.196	C	C	.	.			trans	-91.5	129.9	172.6	-54.5	0	0	0	0	110.1	V34 P57 G64 A65 V69	V34-T67 VanDerWaalsContact CB-O 3.31Å; V34-T67 WeakPolarHBondContact CB-O 3.31Å; V34-T67 PolarHBondContact N-O 3.29Å; V34-T67 PolarHBondContact O-N 2.88Å; P57-T67 HydrophobicContact CG-CG2 4.38Å; G64-T67 PolarHBondContact N-OG1 3.26Å; G64-T67 WeakPolarHBondContact O-CB 3.31Å; G64-T67 PolarHBondContact O-N 3.15Å; G64-T67 PolarHBondContact O-OG1 3.46Å; A65-T67 VanDerWaalsContact C-N 3.3Å; T67-V69 HydrophobicContact CG2-CG2 4.12Å
68	E	95.9	Very high	94.7	Very high	92 Å²	92	36.9 Å²	36.9	43%	0.43	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.6	163.5	175.9	169.4	-133.2	0	0	108.8	S31 Q33 H70	S31-E68 PolarHBondContact OG-OE1 3.01Å; Q33-E68 PolarHBondContact NE2-OE1 3.1Å; E68-H70 IonicContact OE1-NE2 3.31Å; E68-H70 IonicContact OE2-NE2 3.88Å
69	V	97.6	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.6	-178.6	178.3	0	0	0	0	109.8	S31 I32 V34 V43 L54 S56 I63 T67 L71	S31-V69 CarbonylContact C-O 3.54Å; S31-V69 WeakPolarHBondContact CA-O 3.05Å; I32-V69 HydrophobicContact CB-CB 4.35Å; I32-V69 PolarHBondContact N-O 2.66Å; I32-V69 PolarHBondContact O-N 3.41Å; V34-V69 HydrophobicContact CG2-CG2 4.02Å; V43-V69 HydrophobicContact CG1-CB 4.27Å; V43-V69 HydrophobicContact CG1-CG1 4.04Å; V43-V69 HydrophobicContact CG1-CG2 4.1Å; L54-V69 HydrophobicContact CD2-CG1 3.56Å; S56-V69 CarbonylContact O-C 3.59Å; S56-V69 VanDerWaalsContact O-CA 3.28Å; S56-V69 WeakPolarHBondContact O-CA 3.29Å; I63-V69 HydrophobicContact CD1-CG1 4.37Å; I63-V69 HydrophobicContact CD1-CG2 4.08Å; I63-V69 HydrophobicContact CG1-CG2 4.03Å; I63-V69 HydrophobicContact CG2-CG2 3.95Å; T67-V69 HydrophobicContact CG2-CG2 4.12Å; V69-L71 HydrophobicContact CG1-CB 4.47Å
70	H	98.1	Very high	95	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.046	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117	169.7	-59.9	167.2	0	0	0	109.1	L30 W55 S56 E68 L95 Y313	L30-H70 CarbonylContact O-C 3.58Å; L30-H70 VanDerWaalsContact O-CA 3.3Å; L30-H70 WeakPolarHBondContact O-CA 3.15Å; W55-H70 HydrophobicContact CB-CB 3.93Å; W55-H70 WeakPolarHBondContact CB-O 3.41Å; W55-H70 PolarHBondContact N-O 2.88Å; S56-H70 PolarHBondContact N-O 3.01Å; S56-H70 PolarHBondContact O-N 3.45Å; E68-H70 IonicContact OE1-NE2 3.31Å; E68-H70 IonicContact OE2-NE2 3.88Å; H70-L95 HydrophobicContact CB-CD1 4.46Å; H70-Y313 WeakPolarHBondContact CB-OH 3.13Å; H70-Y313 AromaticContact ND1-CE2 3.81Å; H70-Y313 AromaticContact ND1-CZ 3.78Å; H70-Y313 PolarHBondContact ND1-OH 3.06Å
71	L	97.8	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.6	-173.2	-171.8	70.9	0	0	0	110.5	V29 L30 I32 I46 T52 L54 V69 V73	V29-L71 WeakPolarHBondContact CA-O 3.43Å; L30-L71 PolarHBondContact N-O 2.91Å; L30-L71 PolarHBondContact O-N 3.43Å; I32-L71 HydrophobicContact CD1-CB 4.14Å; I32-L71 HydrophobicContact CD1-CD2 4.05Å; I46-L71 HydrophobicContact CG2-CD2 3.84Å; T52-L71 HydrophobicContact CG2-CD2 4.23Å; L54-L71 HydrophobicContact CD2-CD1 3.81Å; L54-L71 HydrophobicContact CG-CD1 4.1Å; V69-L71 HydrophobicContact CG1-CB 4.47Å; L71-V73 HydrophobicContact CD2-CG2 3.91Å; L71-V73 HydrophobicContact CG-CG2 3.99Å
72	F	97.5	Very high	95.3	Very high	16 Å²	16	36.5 Å²	36.5	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.5	166.4	171.8	-88.7	0	0	0	109.5	D27 Q28 V29 T52 V53 P74 T99 M239	D27-F72 HydrophobicContact CB-CE2 3.68Å; D27-F72 HydrophobicContact CB-CZ 3.68Å; D27-F72 VanDerWaalsContact OD2-CZ 3.3Å; D27-F72 WeakPolarHBondContact OD2-CZ 3.47Å; Q28-F72 CarbonylContact O-C 3.57Å; Q28-F72 WeakPolarHBondContact O-CA 3.35Å; V29-F72 HydrophobicContact CG2-CB 4.35Å; V29-F72 HydrophobicContact CG2-CD2 4.13Å; T52-F72 WeakPolarHBondContact CA-O 3.41Å; T52-F72 WeakPolarHBondContact CB-O 3.43Å; V53-F72 HydrophobicContact CB-CB 4.2Å; V53-F72 HydrophobicContact CB-CD1 4.12Å; V53-F72 HydrophobicContact CG2-CD1 4.15Å; V53-F72 PolarHBondContact N-O 3.01Å; V53-F72 WeakPolarHBondContact O-CB 3.49Å; V53-F72 PolarHBondContact O-N 2.72Å; F72-P74 HydrophobicContact CE1-CG 4.13Å; F72-T99 HydrophobicContact CD2-CG2 4.2Å; F72-T99 HydrophobicContact CE2-CG2 4.08Å; F72-M239 HydrophobicContact CD1-CG 4.2Å; F72-M239 HydrophobicContact CD2-CE 4.21Å; F72-M239 HydrophobicContact CD2-CG 4.25Å; F72-M239 HydrophobicContact CD2-SD 4.4Å; F72-M239 HydrophobicContact CE1-CG 4.24Å; F72-M239 HydrophobicContact CE2-CE 4.06Å; F72-M239 HydrophobicContact CE2-CG 4.28Å; F72-M239 HydrophobicContact CG-CG 4.19Å; F72-M239 HydrophobicContact CZ-CG 4.27Å
73	V	97.3	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.3	-175.2	-174.9	0	0	0	0	109.3	Q28 L30 T52 L71 L78 V81	Q28-V73 PolarHBondContact N-O 3.35Å; Q28-V73 PolarHBondContact O-N 3.43Å; L30-V73 HydrophobicContact CD1-CG2 3.96Å; L30-V73 HydrophobicContact CG-CG2 4.18Å; T52-V73 HydrophobicContact CG2-CG1 4.32Å; T52-V73 HydrophobicContact CG2-CG2 4.22Å; L71-V73 HydrophobicContact CD2-CG2 3.91Å; L71-V73 HydrophobicContact CG-CG2 3.99Å; V73-L78 HydrophobicContact CB-CD1 4.16Å; V73-L78 HydrophobicContact CG1-CB 4.29Å; V73-L78 HydrophobicContact CG1-CD1 3.94Å; V73-V81 HydrophobicContact CG1-CB 3.98Å; V73-V81 HydrophobicContact CG1-CG1 4.31Å; V73-V81 HydrophobicContact CG1-CG2 3.84Å; V73-V81 HydrophobicContact CG2-CG1 4.14Å
74	P	95.6	Very high	95.6	Very high	15 Å²	15	40.9 Å²	40.9	10%	0.097	23%	0.234	C	C	.	.			trans	-60.6	143.6	174.5	-25.7	35.3	0	0	0	112.8	D27 E51 F72 N76 K77 L78	D27-P74 WeakPolarHBondContact OD1-CA 3.4Å; E51-P74 HydrophobicContact CB-CG 4.2Å; E51-P74 WeakPolarHBondContact O-CG 3.44Å; F72-P74 HydrophobicContact CE1-CG 4.13Å; P74-N76 VanDerWaalsContact C-N 3.25Å; P74-N76 VanDerWaalsContact CB-OD1 3.28Å; P74-N76 WeakPolarHBondContact CB-OD1 3.48Å; P74-N76 PolarHBondContact O-N 3.31Å; P74-K77 CarbonylContact O-C 3.58Å; P74-K77 PolarHBondContact O-N 2.92Å; P74-L78 PolarHBondContact O-N 3.44Å
75	A	94.7	Very high	95.7	Very high	26 Å²	26	39.9 Å²	39.9	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-52.9	-42.6	-177.2	0	0	0	0	0	112.3	T25 H26 D27 K77 L78	T25-A75 WeakPolarHBondContact O-CB 3.47Å; H26-A75 VanDerWaalsContact C-CB 3.49Å; D27-A75 PolarHBondContact OD1-N 2.61Å; A75-K77 PolarHBondContact O-N 3.47Å; A75-L78 PolarHBondContact O-N 3.4Å
76	N	94.2	Very high	96	Very high	112 Å²	112	44.3 Å²	44.3	60%	0.599	24%	0.239	S	C	*	.	H	α-helix	trans	-68.2	-14.1	-179.9	68.9	-18.4	0	0	0	113.9	P74	P74-N76 VanDerWaalsContact C-N 3.25Å; P74-N76 VanDerWaalsContact CB-OD1 3.28Å; P74-N76 WeakPolarHBondContact CB-OD1 3.48Å; P74-N76 PolarHBondContact O-N 3.31Å
77	K	95.9	Very high	96.2	Very high	60 Å²	60	41.2 Å²	41.2	26%	0.261	23%	0.232	S	C	.	.	H	α-helix	trans	-112.3	-10.1	176.7	-57.1	-55.3	-177.2	-177.5	0	113.3	Y50 E51 P74 A75 G79 T80 V81	Y50-K77 WeakPolarHBondContact O-CG 3.34Å; E51-K77 IonicContact OE1-NZ 3.3Å; P74-K77 CarbonylContact O-C 3.58Å; P74-K77 PolarHBondContact O-N 2.92Å; A75-K77 PolarHBondContact O-N 3.47Å; K77-G79 PolarHBondContact O-N 3.41Å; K77-T80 PolarHBondContact O-N 2.88Å; K77-T80 VanDerWaalsContact O-N 3.09Å; K77-V81 PolarHBondContact O-N 3.33Å
78	L	95	Very high	96.3	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-53.6	-49.7	-173.5	-175.3	65.3	0	0	0	112.4	Q28 V73 P74 A75 T80 V81 T82	Q28-L78 HydrophobicContact CB-CD1 4.08Å; Q28-L78 HydrophobicContact CG-CD1 4.32Å; Q28-L78 HydrophobicContact CG-CD2 3.88Å; V73-L78 HydrophobicContact CB-CD1 4.16Å; V73-L78 HydrophobicContact CG1-CB 4.29Å; V73-L78 HydrophobicContact CG1-CD1 3.94Å; P74-L78 PolarHBondContact O-N 3.44Å; A75-L78 PolarHBondContact O-N 3.4Å; L78-T80 PolarHBondContact O-N 3.46Å; L78-V81 PolarHBondContact O-N 2.64Å; L78-T82 HydrophobicContact CD1-CG2 4.02Å; L78-T82 HydrophobicContact CG-CG2 4.27Å; L78-T82 WeakPolarHBondContact O-CG2 3.44Å; L78-T82 PolarHBondContact O-N 3.26Å; L78-T82 PolarHBondContact O-OG1 2.67Å
79	G	95	Very high	96.3	Very high	40 Å²	40	46.4 Å²	46.4	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-57.4	-45	178.4	0	0	0	0	0	113.1	K77 V81 T82 D83	K77-G79 PolarHBondContact O-N 3.41Å; G79-V81 PolarHBondContact O-N 2.8Å; G79-T82 WeakPolarHBondContact CA-OG1 3.3Å; G79-T82 PolarHBondContact O-N 3.32Å; G79-T82 PolarHBondContact O-OG1 3.41Å; G79-D83 WeakPolarHBondContact O-CB 3.17Å; G79-D83 PolarHBondContact O-N 2.71Å
80	T	95.8	Very high	96.3	Very high	68 Å²	68	46.7 Å²	46.7	42%	0.417	26%	0.255	S	S	.	.	H	α-helix	trans	-63	-44	176.9	-56.7	0	0	0	0	111.8	Y50 K77 L78 L84	Y50-T80 HydrophobicContact CD1-CG2 4.3Å; Y50-T80 HydrophobicContact CE1-CG2 3.92Å; K77-T80 PolarHBondContact O-N 2.88Å; K77-T80 VanDerWaalsContact O-N 3.09Å; L78-T80 PolarHBondContact O-N 3.46Å; T80-L84 HydrophobicContact CG2-CD1 4.37Å; T80-L84 WeakPolarHBondContact O-CG 3.23Å; T80-L84 PolarHBondContact O-N 3.34Å; T80-L84 VanDerWaalsContact O-N 3.12Å
81	V	96.8	Very high	96.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-47.7	179.5	172.4	0	0	0	0	110.5	L30 I46 Y50 T52 V73 K77 L78 G79 D83 L84 L85	L30-V81 HydrophobicContact CD1-CG1 4.37Å; I46-V81 HydrophobicContact CG2-CG1 3.91Å; I46-V81 HydrophobicContact CG2-CG2 4.21Å; Y50-V81 HydrophobicContact CD2-CG2 4.45Å; Y50-V81 HydrophobicContact CG-CG2 4.49Å; T52-V81 HydrophobicContact CG2-CG2 4.21Å; V73-V81 HydrophobicContact CG1-CB 3.98Å; V73-V81 HydrophobicContact CG1-CG1 4.31Å; V73-V81 HydrophobicContact CG1-CG2 3.84Å; V73-V81 HydrophobicContact CG2-CG1 4.14Å; K77-V81 PolarHBondContact O-N 3.33Å; L78-V81 PolarHBondContact O-N 2.64Å; G79-V81 PolarHBondContact O-N 2.8Å; V81-D83 VanDerWaalsContact C-N 3.32Å; V81-D83 PolarHBondContact O-N 3.36Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 3.11Å; V81-L85 HydrophobicContact CG1-CD1 4.17Å; V81-L85 HydrophobicContact CG1-CG 4.35Å; V81-L85 VanDerWaalsContact O-CG 3.32Å; V81-L85 WeakPolarHBondContact O-CG 3.24Å; V81-L85 PolarHBondContact O-N 3.48Å
82	T	96.1	Very high	96.2	Very high	26 Å²	26	53.1 Å²	53.1	16%	0.16	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-38.8	179.4	52.5	0	0	0	0	112.1	L78 G79 L84 L85 Q86	L78-T82 HydrophobicContact CD1-CG2 4.02Å; L78-T82 HydrophobicContact CG-CG2 4.27Å; L78-T82 WeakPolarHBondContact O-CG2 3.44Å; L78-T82 PolarHBondContact O-N 3.26Å; L78-T82 PolarHBondContact O-OG1 2.67Å; G79-T82 WeakPolarHBondContact CA-OG1 3.3Å; G79-T82 PolarHBondContact O-N 3.32Å; G79-T82 PolarHBondContact O-OG1 3.41Å; T82-L84 PolarHBondContact O-N 2.85Å; T82-L85 PolarHBondContact O-N 2.88Å; T82-Q86 WeakPolarHBondContact O-CB 3.32Å; T82-Q86 VanDerWaalsContact O-CG 3.27Å; T82-Q86 WeakPolarHBondContact O-CG 3.25Å; T82-Q86 PolarHBondContact O-N 3.42Å
83	D	96.4	Very high	96.1	Very high	94 Å²	94	58.2 Å²	58.2	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176	-73.6	-10.7	0	0	0	111.6	G79 V81 Q86 T87	G79-D83 WeakPolarHBondContact O-CB 3.17Å; G79-D83 PolarHBondContact O-N 2.71Å; V81-D83 VanDerWaalsContact C-N 3.32Å; V81-D83 PolarHBondContact O-N 3.36Å; D83-Q86 PolarHBondContact O-N 2.82Å; D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.21Å; D83-T87 PolarHBondContact O-N 2.93Å; D83-T87 PolarHBondContact O-OG1 3.45Å
84	L	96.6	Very high	96.1	Very high	46 Å²	46	61.8 Å²	61.8	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-44.6	174.8	-73.1	170.5	0	0	0	111.4	I46 Y50 T80 V81 T82 Q86 T87 H88	I46-L84 HydrophobicContact CD1-CB 4.05Å; I46-L84 HydrophobicContact CD1-CD1 4.5Å; I46-L84 HydrophobicContact CG1-CD1 4.18Å; Y50-L84 HydrophobicContact CE2-CD1 3.89Å; T80-L84 HydrophobicContact CG2-CD1 4.37Å; T80-L84 WeakPolarHBondContact O-CG 3.23Å; T80-L84 PolarHBondContact O-N 3.34Å; T80-L84 VanDerWaalsContact O-N 3.12Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 3.11Å; T82-L84 PolarHBondContact O-N 2.85Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 3.09Å; L84-T87 PolarHBondContact O-N 3.25Å; L84-H88 PolarHBondContact O-CD2 2.83Å; L84-H88 VanDerWaalsContact O-CD2 3.22Å; L84-H88 PolarHBondContact O-N 2.87Å; L84-H88 VanDerWaalsContact O-N 3.09Å
85	L	97	Very high	96.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-44.7	177	-64.6	178.9	0	0	0	111.1	L30 I32 I46 V81 T82 H89 L90 H92	L30-L85 HydrophobicContact CD1-CD1 3.85Å; I32-L85 HydrophobicContact CD1-CD1 4.02Å; I32-L85 HydrophobicContact CD1-CD2 4.03Å; I32-L85 HydrophobicContact CG1-CD1 4.13Å; I32-L85 HydrophobicContact CG1-CD2 4.45Å; I32-L85 HydrophobicContact CG2-CD2 4.18Å; I46-L85 HydrophobicContact CD1-CD2 3.83Å; V81-L85 HydrophobicContact CG1-CD1 4.17Å; V81-L85 HydrophobicContact CG1-CG 4.35Å; V81-L85 VanDerWaalsContact O-CG 3.32Å; V81-L85 WeakPolarHBondContact O-CG 3.24Å; V81-L85 PolarHBondContact O-N 3.48Å; T82-L85 PolarHBondContact O-N 2.88Å; L85-H89 PolarHBondContact O-N 2.98Å; L85-L90 HydrophobicContact CB-CB 4.19Å; L85-L90 HydrophobicContact CD2-CB 3.94Å; L85-L90 HydrophobicContact CD2-CD1 3.57Å; L85-L90 HydrophobicContact CD2-CG 4.36Å; L85-L90 WeakPolarHBondContact O-CB 3.37Å; L85-L90 PolarHBondContact O-N 2.96Å; L85-H92 HydrophobicContact CD1-CB 4.11Å
86	Q	96.6	Very high	96.1	Very high	121 Å²	121	62.8 Å²	62.8	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-66.5	-45.3	178.3	-71.1	176.4	13.8	0	0	112.5	T82 D83 L84 H88 H89	T82-Q86 WeakPolarHBondContact O-CB 3.32Å; T82-Q86 VanDerWaalsContact O-CG 3.27Å; T82-Q86 WeakPolarHBondContact O-CG 3.25Å; T82-Q86 PolarHBondContact O-N 3.42Å; D83-Q86 PolarHBondContact O-N 2.82Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-Q86 PolarHBondContact O-N 3.09Å; Q86-H88 PolarHBondContact O-N 3.3Å; Q86-H89 PolarHBondContact O-N 3.48Å
87	T	97.1	Very high	96.1	Very high	97 Å²	97	62.4 Å²	62.4	60%	0.595	34%	0.335	S	S	*	.	H	α-helix	trans	-58.6	-36.6	179.3	-62.5	0	0	0	0	111.9	D83 L84	D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.21Å; D83-T87 PolarHBondContact O-N 2.93Å; D83-T87 PolarHBondContact O-OG1 3.45Å; L84-T87 PolarHBondContact O-N 3.25Å
88	H	96.1	Very high	96	Very high	75 Å²	75	61.1 Å²	61.1	35%	0.347	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	12.7	179.3	-67.5	-67.1	0	0	0	114	I42 L84 Q86 L90	I42-H88 HydrophobicContact CD1-CB 3.84Å; I42-H88 WeakPolarHBondContact CD1-ND1 3.43Å; I42-H88 HydrophobicContact CG2-CB 4.41Å; L84-H88 PolarHBondContact O-CD2 2.83Å; L84-H88 VanDerWaalsContact O-CD2 3.22Å; L84-H88 PolarHBondContact O-N 2.87Å; L84-H88 VanDerWaalsContact O-N 3.09Å; Q86-H88 PolarHBondContact O-N 3.3Å; H88-L90 HydrophobicContact CB-CD1 4.2Å; H88-L90 PolarHBondContact O-N 3.05Å
89	H	95.9	Very high	96	Very high	157 Å²	157	60.6 Å²	60.6	73%	0.727	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	37.6	178.5	-52.7	-58.8	0	0	0	113.4	Q39 L85 Q86	Q39-H89 PolarHBondContact NE2-O 3.16Å; L85-H89 PolarHBondContact O-N 2.98Å; Q86-H89 PolarHBondContact O-N 3.48Å
90	L	97.1	Very high	95.9	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	32%	0.32	C	S	.	.			trans	-82.6	115	174.1	-77.8	158.2	0	0	0	109.7	I32 Q39 I42 V43 L85 H88 H92	I32-L90 HydrophobicContact CG2-CB 4.38Å; I32-L90 HydrophobicContact CG2-CD2 4.19Å; Q39-L90 HydrophobicContact CB-CD2 3.68Å; Q39-L90 HydrophobicContact CG-CD2 3.6Å; Q39-L90 HydrophobicContact CG-CG 4.16Å; I42-L90 HydrophobicContact CG2-CD1 3.89Å; V43-L90 HydrophobicContact CG2-CD1 3.76Å; V43-L90 HydrophobicContact CG2-CD2 3.86Å; V43-L90 HydrophobicContact CG2-CG 4.48Å; L85-L90 HydrophobicContact CB-CB 4.19Å; L85-L90 HydrophobicContact CD2-CB 3.94Å; L85-L90 HydrophobicContact CD2-CD1 3.57Å; L85-L90 HydrophobicContact CD2-CG 4.36Å; L85-L90 WeakPolarHBondContact O-CB 3.37Å; L85-L90 PolarHBondContact O-N 2.96Å; H88-L90 HydrophobicContact CB-CD1 4.2Å; H88-L90 PolarHBondContact O-N 3.05Å; L90-H92 PolarHBondContact O-N 3.48Å; L90-H92 PolarHBondContact O-ND1 3.5Å
91	T	96.4	Very high	95.8	Very high	95 Å²	95	63 Å²	63	58%	0.583	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	125.7	173.1	-54.7	0	0	0	0	109.5	Q33	Q33-T91 PolarHBondContact N-O 3.16Å
92	H	96.7	Very high	95.7	Very high	51 Å²	51	64 Å²	64	24%	0.236	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159	177.6	64.9	-80.8	0	0	0	112	S31 I32 L85 L90	S31-H92 CarbonylContact O-C 3.43Å; S31-H92 WeakPolarHBondContact O-CA 3.32Å; S31-H92 WeakPolarHBondContact O-CB 3.38Å; I32-H92 HydrophobicContact CG1-CB 4.01Å; L85-H92 HydrophobicContact CD1-CB 4.11Å; L90-H92 PolarHBondContact O-N 3.48Å; L90-H92 PolarHBondContact O-ND1 3.5Å
93	Q	96.4	Very high	95.6	Very high	123 Å²	123	64.6 Å²	64.6	58%	0.575	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.7	177.1	-62.5	179.8	0.3	0	0	109.2	L30 S31 L95	L30-Q93 CarbonylContact C-O 3.52Å; L30-Q93 VanDerWaalsContact CA-O 3.31Å; L30-Q93 WeakPolarHBondContact CA-O 3.11Å; S31-Q93 PolarHBondContact N-O 2.77Å; S31-Q93 PolarHBondContact O-N 2.67Å; Q93-L95 PolarHBondContact O-N 2.9Å
94	V	96.2	Very high	95.4	Very high	74 Å²	74	65.8 Å²	65.8	45%	0.448	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	113.5	171	-177.5	0	0	0	0	107.8	L30 L96 D97	L30-V94 HydrophobicContact CD2-CB 4.46Å; L30-V94 HydrophobicContact CD2-CG2 3.9Å; V94-L96 WeakPolarHBondContact CG1-O 3.47Å; V94-D97 HydrophobicContact CG1-CB 4.01Å
95	L	95.4	Very high	95.2	Very high	48 Å²	48	66.5 Å²	66.5	25%	0.251	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-43.7	174.6	-68.1	172.1	0	0	0	110.8	V29 H70 Q93 G390	V29-L95 HydrophobicContact CB-CB 4.41Å; V29-L95 HydrophobicContact CG1-CB 4.31Å; V29-L95 HydrophobicContact CG1-CD1 4.05Å; V29-L95 WeakPolarHBondContact O-CB 3.4Å; V29-L95 PolarHBondContact O-N 2.81Å; H70-L95 HydrophobicContact CB-CD1 4.46Å; Q93-L95 PolarHBondContact O-N 2.9Å; L95-G390 WeakPolarHBondContact CD1-O 3.24Å
96	L	95.6	Very high	95	Very high	15 Å²	15	66.6 Å²	66.6	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.3	177.7	-62.4	176.7	0	0	0	108.9	Q28 V29 W55 V94 T99 L102 R391 Y392 L395	Q28-L96 WeakPolarHBondContact CA-O 3.33Å; Q28-L96 WeakPolarHBondContact CB-O 3.26Å; V29-L96 HydrophobicContact CB-CB 4.08Å; V29-L96 HydrophobicContact CB-CD1 4.3Å; V29-L96 HydrophobicContact CB-CG 4.34Å; V29-L96 HydrophobicContact CG2-CB 4.25Å; V29-L96 HydrophobicContact CG2-CD1 3.95Å; V29-L96 HydrophobicContact CG2-CG 4.47Å; V29-L96 PolarHBondContact N-O 2.7Å; V29-L96 PolarHBondContact O-N 3.22Å; W55-L96 HydrophobicContact CH2-CD1 3.93Å; W55-L96 HydrophobicContact CZ3-CD1 4.21Å; V94-L96 WeakPolarHBondContact CG1-O 3.47Å; L96-T99 HydrophobicContact CB-CG2 4.16Å; L96-T99 HydrophobicContact CD1-CG2 4.33Å; L96-L102 HydrophobicContact CD1-CD1 3.96Å; L96-L102 HydrophobicContact CD2-CD1 3.68Å; L96-L102 HydrophobicContact CG-CD1 4.41Å; L96-R391 VanDerWaalsContact CD2-O 3.25Å; L96-R391 WeakPolarHBondContact CD2-O 3.39Å; L96-R391 WeakPolarHBondContact CG-O 3.48Å; L96-Y392 HydrophobicContact CD2-CD1 3.92Å; L96-Y392 HydrophobicContact CD2-CE1 4.35Å; L96-L395 HydrophobicContact CD1-CB 4.39Å; L96-L395 HydrophobicContact CD1-CD1 4.12Å
97	D	94.4	Very high	94.7	Very high	104 Å²	104	63.2 Å²	63.2	56%	0.556	33%	0.325	S	S	*	.	S	Bend	trans	-86	-25.5	-179.1	93.2	38.6	0	0	0	114	Q28 V94	Q28-D97 WeakPolarHBondContact CG-O 3.39Å; Q28-D97 PolarHBondContact NE2-O 3.43Å; V94-D97 HydrophobicContact CG1-CB 4.01Å
98	N	93.9	Very high	94.1	Very high	32 Å²	32	65.8 Å²	65.8	17%	0.171	32%	0.324	C	S	.	.			trans	-144.3	95.7	-176.3	-178.2	-12.6	0	0	0	108.2	H26 E100 E101	H26-N98 HydrophobicContact CB-CB 4.14Å; N98-E100 VanDerWaalsContact C-N 3.32Å; N98-E100 WeakPolarHBondContact OD1-CB 3.3Å; N98-E100 PolarHBondContact OD1-N 2.84Å; N98-E100 PolarHBondContact OD1-OE2 2.89Å; N98-E101 PolarHBondContact OD1-N 2.86Å
99	T	94.5	Very high	92.8	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-75.2	-27.6	179.5	64.4	0	0	0	0	112.2	D27 V29 F72 L96 E101 L102 I103 L395	D27-T99 VanDerWaalsContact CB-OG1 3.25Å; D27-T99 WeakPolarHBondContact CB-OG1 3.47Å; D27-T99 WeakPolarHBondContact O-CG2 3.27Å; D27-T99 PolarHBondContact O-N 3.09Å; D27-T99 VanDerWaalsContact O-N 3.16Å; D27-T99 PolarHBondContact O-OG1 2.8Å; V29-T99 HydrophobicContact CG2-CG2 3.86Å; F72-T99 HydrophobicContact CD2-CG2 4.2Å; F72-T99 HydrophobicContact CE2-CG2 4.08Å; L96-T99 HydrophobicContact CB-CG2 4.16Å; L96-T99 HydrophobicContact CD1-CG2 4.33Å; T99-E101 PolarHBondContact O-N 3.08Å; T99-L102 PolarHBondContact O-N 3.24Å; T99-L102 VanDerWaalsContact O-N 3.15Å; T99-I103 VanDerWaalsContact O-CG1 3.28Å; T99-I103 WeakPolarHBondContact O-CG1 3.44Å; T99-I103 PolarHBondContact O-N 3.43Å; T99-L395 HydrophobicContact CG2-CD1 3.83Å
100	E	93.8	Very high	91.3	Very high	52 Å²	52	66 Å²	66	24%	0.243	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-41.7	-177.4	-66	86.4	152.3	0	0	111	D27 N98 L102 I103 E104	D27-E100 WeakPolarHBondContact CB-OE1 3.48Å; D27-E100 VanDerWaalsContact CG-OE1 3.23Å; D27-E100 PolarHBondContact N-OE1 2.97Å; D27-E100 PolarHBondContact N-OE2 2.74Å; N98-E100 VanDerWaalsContact C-N 3.32Å; N98-E100 WeakPolarHBondContact OD1-CB 3.3Å; N98-E100 PolarHBondContact OD1-N 2.84Å; N98-E100 PolarHBondContact OD1-OE2 2.89Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 2.79Å; E100-I103 PolarHBondContact O-N 2.83Å; E100-E104 WeakPolarHBondContact O-CB 3.39Å; E100-E104 WeakPolarHBondContact O-CG 3.47Å; E100-E104 PolarHBondContact O-N 3.21Å
101	E	93.7	Very high	89.3	Confident	108 Å²	108	71 Å²	71	51%	0.505	37%	0.365	S	S	.	.	H	α-helix	trans	-57.9	-44.1	174.3	-177.8	178.6	-172.6	0	0	111.7	N98 T99 E104 M105	N98-E101 PolarHBondContact OD1-N 2.86Å; T99-E101 PolarHBondContact O-N 3.08Å; E101-E104 PolarHBondContact O-N 3.37Å; E101-M105 HydrophobicContact CG-SD 4.48Å; E101-M105 VanDerWaalsContact O-CG 3.28Å; E101-M105 WeakPolarHBondContact O-CG 3.19Å; E101-M105 PolarHBondContact O-N 3.25Å
102	L	94.2	Very high	87.4	Confident	19 Å²	19	71.6 Å²	71.6	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-67.5	-40.5	177.6	-68.6	178.1	0	0	0	111.6	L96 T99 E100 M105 Q106 Y392 L395 P397	L96-L102 HydrophobicContact CD1-CD1 3.96Å; L96-L102 HydrophobicContact CD2-CD1 3.68Å; L96-L102 HydrophobicContact CG-CD1 4.41Å; T99-L102 PolarHBondContact O-N 3.24Å; T99-L102 VanDerWaalsContact O-N 3.15Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 2.79Å; L102-M105 HydrophobicContact CD2-SD 4.26Å; L102-M105 WeakPolarHBondContact O-CB 3.13Å; L102-M105 PolarHBondContact O-N 2.9Å; L102-Q106 VanDerWaalsContact O-CG 3.27Å; L102-Q106 WeakPolarHBondContact O-CG 3.39Å; L102-Q106 PolarHBondContact O-N 2.81Å; L102-Y392 HydrophobicContact CD1-CD1 3.87Å; L102-Y392 HydrophobicContact CD1-CE1 4.34Å; L102-Y392 HydrophobicContact CD2-CE1 4.48Å; L102-L395 HydrophobicContact CB-CB 4.2Å; L102-L395 HydrophobicContact CB-CD1 4.43Å; L102-L395 HydrophobicContact CD1-CB 4.05Å; L102-P397 HydrophobicContact CD2-CG 4.07Å
103	I	94.2	Very high	85.7	Confident	40 Å²	40	71.4 Å²	71.4	21%	0.205	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-47.9	176.2	-66.4	173.2	0	0	0	110	T99 E100 M105 Q106 T107 R238 M239 L395	T99-I103 VanDerWaalsContact O-CG1 3.28Å; T99-I103 WeakPolarHBondContact O-CG1 3.44Å; T99-I103 PolarHBondContact O-N 3.43Å; E100-I103 PolarHBondContact O-N 2.83Å; I103-M105 VanDerWaalsContact C-N 3.32Å; I103-M105 PolarHBondContact O-N 2.91Å; I103-Q106 PolarHBondContact O-N 2.94Å; I103-T107 PolarHBondContact O-N 2.9Å; I103-T107 PolarHBondContact O-OG1 3.31Å; I103-T107 VanDerWaalsContact O-OG1 3.07Å; I103-R238 HydrophobicContact CD1-CB 3.97Å; I103-R238 HydrophobicContact CD1-CG 3.89Å; I103-R238 HydrophobicContact CG1-CG 3.95Å; I103-M239 HydrophobicContact CD1-CE 4.13Å; I103-L395 HydrophobicContact CD1-CD2 4.38Å; I103-L395 HydrophobicContact CG1-CD1 4.34Å; I103-L395 HydrophobicContact CG1-CD2 3.63Å
104	E	92.6	Very high	84.2	Confident	119 Å²	119	69 Å²	69	56%	0.556	37%	0.369	S	S	*	.	H	α-helix	trans	-56.8	-47.2	176.1	-75.2	-178.9	-178.1	0	0	111	E100 E101 Q106 T107 R108	E100-E104 WeakPolarHBondContact O-CB 3.39Å; E100-E104 WeakPolarHBondContact O-CG 3.47Å; E100-E104 PolarHBondContact O-N 3.21Å; E101-E104 PolarHBondContact O-N 3.37Å; E104-Q106 VanDerWaalsContact C-N 3.3Å; E104-Q106 PolarHBondContact O-N 3.19Å; E104-T107 PolarHBondContact O-N 3.44Å; E104-T107 PolarHBondContact O-OG1 2.77Å; E104-R108 WeakPolarHBondContact O-CG 3.27Å; E104-R108 PolarHBondContact O-N 2.96Å
105	M	91.5	Very high	83	Confident	60 Å²	60	67.6 Å²	67.6	30%	0.296	36%	0.355	S	S	.	.	H	α-helix	trans	-57.6	-41.3	175	-73.3	176.1	65.7	0	0	112.5	E101 L102 I103 T107	E101-M105 HydrophobicContact CG-SD 4.48Å; E101-M105 VanDerWaalsContact O-CG 3.28Å; E101-M105 WeakPolarHBondContact O-CG 3.19Å; E101-M105 PolarHBondContact O-N 3.25Å; L102-M105 HydrophobicContact CD2-SD 4.26Å; L102-M105 WeakPolarHBondContact O-CB 3.13Å; L102-M105 PolarHBondContact O-N 2.9Å; I103-M105 VanDerWaalsContact C-N 3.32Å; I103-M105 PolarHBondContact O-N 2.91Å; M105-T107 VanDerWaalsContact C-N 3.34Å
106	Q	91.9	Very high	81.4	Confident	3 Å²	3	70.5 Å²	70.5	1%	0.014	38%	0.379	C	S	.	.	H	α-helix	trans	-69.8	-29.7	179.5	-68.9	-172.6	-34	0	0	113	L102 I103 E104 Y124 W187 R238 L395 L396	L102-Q106 VanDerWaalsContact O-CG 3.27Å; L102-Q106 WeakPolarHBondContact O-CG 3.39Å; L102-Q106 PolarHBondContact O-N 2.81Å; I103-Q106 PolarHBondContact O-N 2.94Å; E104-Q106 VanDerWaalsContact C-N 3.3Å; E104-Q106 PolarHBondContact O-N 3.19Å; Q106-Y124 HydrophobicContact CB-CD2 3.73Å; Q106-Y124 HydrophobicContact CB-CE2 4.23Å; Q106-Y124 HydrophobicContact CG-CD2 3.66Å; Q106-Y124 HydrophobicContact CG-CE2 3.62Å; Q106-Y124 VanDerWaalsContact NE2-CE2 3.31Å; Q106-W187 HydrophobicContact CB-CE3 3.98Å; Q106-W187 HydrophobicContact CB-CZ3 3.63Å; Q106-R238 VanDerWaalsContact OE1-NE 3.17Å; Q106-L395 VanDerWaalsContact NE2-C 3.27Å; Q106-L396 PolarHBondContact NE2-O 2.7Å
107	T	90.6	Very high	80.1	Confident	50 Å²	50	70.9 Å²	70.9	31%	0.307	38%	0.383	S	S	.	.	H	α-helix	trans	-102.1	4.5	-176.3	58.9	0	0	0	0	114.9	I103 E104 M105 N109 W187 W234	I103-T107 PolarHBondContact O-N 2.9Å; I103-T107 PolarHBondContact O-OG1 3.31Å; I103-T107 VanDerWaalsContact O-OG1 3.07Å; E104-T107 PolarHBondContact O-N 3.44Å; E104-T107 PolarHBondContact O-OG1 2.77Å; M105-T107 VanDerWaalsContact C-N 3.34Å; T107-N109 PolarHBondContact O-N 2.88Å; T107-N109 VanDerWaalsContact O-N 3.09Å; T107-W187 HydrophobicContact CG2-CH2 3.56Å; T107-W187 HydrophobicContact CG2-CZ3 3.81Å; T107-W234 HydrophobicContact CG2-CE3 4Å; T107-W234 HydrophobicContact CG2-CZ3 3.98Å
108	R	85.3	Confident	78.8	Confident	151 Å²	151	69.3 Å²	69.3	57%	0.57	39%	0.385	S	S	*	.			trans	-57.1	116.8	179	-90.8	170.7	-163.9	-176.3	6.7	110.7	E104 E110	E104-R108 WeakPolarHBondContact O-CG 3.27Å; E104-R108 PolarHBondContact O-N 2.96Å; R108-E110 PolarHBondContact O-N 3.24Å; R108-E110 VanDerWaalsContact O-N 3.16Å
109	N	68.1	Low	78.1	Confident	130 Å²	130	69.8 Å²	69.8	70%	0.695	39%	0.391	S	S	*	.			trans	-84.7	89.6	-179.4	-165.2	-1.2	0	0	0	110.5	T107 S111	T107-N109 PolarHBondContact O-N 2.88Å; T107-N109 VanDerWaalsContact O-N 3.09Å; N109-S111 VanDerWaalsContact C-N 3.34Å; N109-S111 PolarHBondContact O-N 2.88Å
110	E	64.9	Low	77.6	Confident	107 Å²	107	70.7 Å²	70.7	50%	0.5	39%	0.394	S	S	.	.			trans	-91.1	70.4	171.8	-67.9	-174.1	-179.1	0	0	109.8	R108 S112 D113 R123	R108-E110 PolarHBondContact O-N 3.24Å; R108-E110 VanDerWaalsContact O-N 3.16Å; E110-S112 PolarHBondContact O-N 2.98Å; E110-D113 PolarHBondContact O-N 2.92Å; E110-R123 PolarHBondContact O-NH1 2.91Å; E110-R123 IonicContact OE2-NH2 2.69Å; E110-R123 PolarHBondContact OE2-NH2 3.1Å
111	S	55.6	Low	77.5	Confident	110 Å²	110	69 Å²	69	77%	0.769	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-0.5	-173.8	68.8	0	0	0	0	115.1	N109	N109-S111 VanDerWaalsContact C-N 3.34Å; N109-S111 PolarHBondContact O-N 2.88Å
112	S	56.3	Low	77.4	Confident	108 Å²	108	67.6 Å²	67.6	76%	0.755	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-3.4	-176.5	55.9	0	0	0	0	114.6	E110	E110-S112 PolarHBondContact O-N 2.98Å
113	D	60.9	Low	77.2	Confident	47 Å²	47	68.5 Å²	68.5	25%	0.251	38%	0.381	S	S	.	.			trans	-93.7	124.6	-168.3	-132.5	3.2	0	0	0	111.8	E110 S119 R123	E110-D113 PolarHBondContact O-N 2.92Å; D113-S119 PolarHBondContact OD1-OG 3.33Å; D113-S119 WeakPolarHBondContact OD2-CB 3.34Å; D113-S119 PolarHBondContact OD2-OG 2.92Å; D113-R123 IonicContact OD2-CZ 3.82Å; D113-R123 IonicContact OD2-NH2 3.58Å; D113-R123 PolarHBondContact OD2-NH2 3.46Å
114	P	64.5	Low	77.3	Confident	73 Å²	73	67.1 Å²	67.1	47%	0.474	37%	0.374	S	S	.	.			trans	-70.5	137.9	-174	26.2	-30.1	0	0	0	110.8	S116 S117	P114-S116 PolarHBondContact O-N 3.3Å; P114-S117 WeakPolarHBondContact O-CB 3.39Å; P114-S117 PolarHBondContact O-N 3.3Å; P114-S117 PolarHBondContact O-OG 2.96Å
115	R	71.3	Confident	77.5	Confident	44 Å²	44	61.9 Å²	61.9	17%	0.166	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-23.8	178.4	-165.3	-174.6	73.8	75.1	8.1	114.4	S117 Y120 Y121 T137 D140	R115-S117 VanDerWaalsContact C-N 3.35Å; R115-Y120 HydrophobicContact CB-CD2 4.45Å; R115-Y120 HydrophobicContact CG-CD1 4.31Å; R115-Y120 HydrophobicContact CG-CE1 4.24Å; R115-Y120 HydrophobicContact CG-CE2 4.44Å; R115-Y120 HydrophobicContact CG-CG 4.48Å; R115-Y121 PolarHBondContact NH1-OH 3.08Å; R115-Y121 WeakPolarHBondContact O-CE2 2.95Å; R115-T137 PolarHBondContact NH1-OG1 3.41Å; R115-D140 IonicContact CZ-OD2 3.7Å; R115-D140 IonicContact NE-OD2 2.77Å; R115-D140 IonicContact NH2-OD2 2.72Å; R115-D140 PolarHBondContact NH2-OD2 3.31Å
116	S	61.1	Low	77.8	Confident	108 Å²	108	59.9 Å²	59.9	76%	0.755	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.6	176.4	59	0	0	0	0	114	P114	P114-S116 PolarHBondContact O-N 3.3Å
117	S	68.7	Low	78.1	Confident	23 Å²	23	59.8 Å²	59.8	16%	0.161	34%	0.341	C	S	.	.	S	Bend	trans	-74.7	146.5	176.4	71.1	0	0	0	0	110.7	P114 R115 S119 Y120	P114-S117 WeakPolarHBondContact O-CB 3.39Å; P114-S117 PolarHBondContact O-N 3.3Å; P114-S117 PolarHBondContact O-OG 2.96Å; R115-S117 VanDerWaalsContact C-N 3.35Å; S117-S119 WeakPolarHBondContact CB-OG 3.5Å; S117-S119 PolarHBondContact O-N 2.84Å; S117-S119 PolarHBondContact OG-OG 3.34Å; S117-Y120 WeakPolarHBondContact O-CB 3.28Å; S117-Y120 PolarHBondContact O-N 3.48Å; S117-Y120 PolarHBondContact OG-N 2.99Å
118	A	66.6	Low	78.4	Confident	72 Å²	72	61.5 Å²	61.5	60%	0.595	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-57.8	-35.4	170.2	0	0	0	0	0	111.3	Y120 Y121	A118-Y120 PolarHBondContact O-N 3.19Å; A118-Y121 PolarHBondContact O-N 2.99Å
119	S	79.1	Confident	78.9	Confident	41 Å²	41	57.3 Å²	57.3	29%	0.287	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.2	179.9	55.9	0	0	0	0	114.2	D113 S117 Y121 E122 R123	D113-S119 PolarHBondContact OD1-OG 3.33Å; D113-S119 WeakPolarHBondContact OD2-CB 3.34Å; D113-S119 PolarHBondContact OD2-OG 2.92Å; S117-S119 WeakPolarHBondContact CB-OG 3.5Å; S117-S119 PolarHBondContact O-N 2.84Å; S117-S119 PolarHBondContact OG-OG 3.34Å; S119-Y121 VanDerWaalsContact C-N 3.31Å; S119-Y121 PolarHBondContact O-N 2.67Å; S119-E122 PolarHBondContact O-N 3.47Å; S119-R123 PolarHBondContact O-NE 3.48Å
120	Y	85.8	Confident	80.3	Confident	19 Å²	19	51.2 Å²	51.2	8%	0.075	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.6	-36.2	172.5	-173.9	-86.2	0	0	0	111.9	R115 S117 A118 E122 R123 H125 W133	R115-Y120 HydrophobicContact CB-CD2 4.45Å; R115-Y120 HydrophobicContact CG-CD1 4.31Å; R115-Y120 HydrophobicContact CG-CE1 4.24Å; R115-Y120 HydrophobicContact CG-CE2 4.44Å; R115-Y120 HydrophobicContact CG-CG 4.48Å; S117-Y120 WeakPolarHBondContact O-CB 3.28Å; S117-Y120 PolarHBondContact O-N 3.48Å; S117-Y120 PolarHBondContact OG-N 2.99Å; A118-Y120 PolarHBondContact O-N 3.19Å; Y120-E122 VanDerWaalsContact C-N 3.32Å; Y120-R123 VanDerWaalsContact O-CG 3.24Å; Y120-R123 WeakPolarHBondContact O-CG 3.33Å; Y120-H125 AromaticContact CD1-CE1 3.7Å; Y120-H125 AromaticContact CD1-NE2 3.65Å; Y120-H125 AromaticContact CD2-CE1 3.75Å; Y120-H125 AromaticContact CE1-CE1 3.33Å; Y120-H125 WeakPolarHBondContact CE1-CE1 3.42Å; Y120-H125 AromaticContact CE1-NE2 3.38Å; Y120-H125 WeakPolarHBondContact CE1-NE2 3.29Å; Y120-H125 AromaticContact CE2-CE1 3.41Å; Y120-H125 VanDerWaalsContact CE2-CE1 3.41Å; Y120-H125 WeakPolarHBondContact CE2-CE1 3.47Å; Y120-H125 AromaticContact CE2-ND1 3.96Å; Y120-H125 AromaticContact CG-CE1 3.89Å; Y120-H125 AromaticContact CZ-CE1 3.17Å; Y120-H125 AromaticContact CZ-ND1 3.61Å; Y120-H125 AromaticContact CZ-NE2 3.74Å; Y120-H125 PolarHBondContact O-CE1 3.21Å; Y120-H125 PolarHBondContact O-NE2 3.1Å; Y120-W133 AromaticContact CE1-CD1 3.6Å; Y120-W133 HydrophobicContact CE1-CG 4.38Å
121	Y	90.6	Very high	81.9	Confident	16 Å²	16	48.3 Å²	48.3	6%	0.063	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-89.6	-0.4	-178.2	-63.2	-85.4	0	0	0	113.2	R115 A118 S119 W133 L194 Q198 I401	R115-Y121 PolarHBondContact NH1-OH 3.08Å; R115-Y121 WeakPolarHBondContact O-CE2 2.95Å; A118-Y121 PolarHBondContact O-N 2.99Å; S119-Y121 VanDerWaalsContact C-N 3.31Å; S119-Y121 PolarHBondContact O-N 2.67Å; Y121-W133 HydrophobicContact CE1-CZ2 4.38Å; Y121-W133 AromaticContact CE1-NE1 3.58Å; Y121-W133 AromaticContact CZ-NE1 3.59Å; Y121-W133 PolarHBondContact OH-NE1 3.27Å; Y121-L194 HydrophobicContact CD1-CB 4.28Å; Y121-L194 HydrophobicContact CE1-CB 4.3Å; Y121-Q198 HydrophobicContact CD1-CB 4.09Å; Y121-Q198 HydrophobicContact CD2-CG 4.17Å; Y121-Q198 HydrophobicContact CE1-CB 3.45Å; Y121-Q198 VanDerWaalsContact CE1-CB 3.45Å; Y121-Q198 HydrophobicContact CE1-CG 3.97Å; Y121-Q198 HydrophobicContact CE2-CB 3.96Å; Y121-Q198 HydrophobicContact CE2-CG 3.47Å; Y121-Q198 VanDerWaalsContact CE2-CG 3.47Å; Y121-Q198 VanDerWaalsContact OH-CD 3.26Å; Y121-Q198 WeakPolarHBondContact OH-CG 3.29Å; Y121-Q198 PolarHBondContact OH-OE1 3.04Å; Y121-I401 VanDerWaalsContact O-CG2 3.27Å; Y121-I401 WeakPolarHBondContact O-CG2 3.25Å
122	E	90.9	Very high	83.9	Confident	80 Å²	80	49.6 Å²	49.6	37%	0.374	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-103.3	21.7	178.9	-61.5	-177.1	156.9	0	0	112.1	S119 Y120 W195 P398 S402	S119-E122 PolarHBondContact O-N 3.47Å; Y120-E122 VanDerWaalsContact C-N 3.32Å; E122-W195 HydrophobicContact CG-CZ3 3.99Å; E122-P398 WeakPolarHBondContact O-CB 3.36Å; E122-S402 WeakPolarHBondContact OE1-CB 3.48Å; E122-S402 PolarHBondContact OE1-OG 3.21Å
123	R	91.9	Very high	85.8	Confident	38 Å²	38	44.4 Å²	44.4	14%	0.143	24%	0.239	C	C	.	.	S	Bend	trans	-136	162.9	175.6	64.4	174.1	82.3	-177.9	-17.3	111.2	E110 D113 S119 Y120 H125 I401	E110-R123 PolarHBondContact O-NH1 2.91Å; E110-R123 IonicContact OE2-NH2 2.69Å; E110-R123 PolarHBondContact OE2-NH2 3.1Å; D113-R123 IonicContact OD2-CZ 3.82Å; D113-R123 IonicContact OD2-NH2 3.58Å; D113-R123 PolarHBondContact OD2-NH2 3.46Å; S119-R123 PolarHBondContact O-NE 3.48Å; Y120-R123 VanDerWaalsContact O-CG 3.24Å; Y120-R123 WeakPolarHBondContact O-CG 3.33Å; R123-H125 VanDerWaalsContact CD-CE1 3.48Å; R123-H125 WeakPolarHBondContact CD-CE1 3.33Å; R123-H125 VanDerWaalsContact CG-CE1 3.45Å; R123-H125 WeakPolarHBondContact CG-CE1 3.29Å; R123-I401 VanDerWaalsContact C-CD1 3.46Å
124	Y	96.3	Very high	87.6	Confident	10 Å²	10	42.5 Å²	42.5	4%	0.039	23%	0.229	C	C	.	.			trans	-85.3	148.9	167.5	-59.6	-69.2	0	0	0	110.4	Q106 W187 I188 A191 L396 P398 I401	Q106-Y124 HydrophobicContact CB-CD2 3.73Å; Q106-Y124 HydrophobicContact CB-CE2 4.23Å; Q106-Y124 HydrophobicContact CG-CD2 3.66Å; Q106-Y124 HydrophobicContact CG-CE2 3.62Å; Q106-Y124 VanDerWaalsContact NE2-CE2 3.31Å; Y124-W187 HydrophobicContact CD1-CB 3.58Å; Y124-W187 HydrophobicContact CD1-CE3 4.41Å; Y124-W187 HydrophobicContact CD2-CE3 4.1Å; Y124-W187 VanDerWaalsContact CE1-C 3.45Å; Y124-W187 HydrophobicContact CE1-CB 3.64Å; Y124-W187 WeakPolarHBondContact CE1-O 3.44Å; Y124-W187 HydrophobicContact CG-CB 4.22Å; Y124-W187 AromaticContact CG-CE3 3.87Å; Y124-W187 HydrophobicContact CG-CE3 3.87Å; Y124-I188 HydrophobicContact CE1-CB 4.48Å; Y124-A191 HydrophobicContact CD1-CB 4.08Å; Y124-A191 HydrophobicContact CE1-CB 4.08Å; Y124-L396 VanDerWaalsContact CE2-O 3.22Å; Y124-L396 WeakPolarHBondContact CE2-O 3.27Å; Y124-L396 PolarHBondContact OH-O 2.88Å; Y124-P398 HydrophobicContact CD2-CG 4.3Å; Y124-P398 HydrophobicContact CE2-CG 4.33Å; Y124-I401 HydrophobicContact CD1-CD1 4.01Å; Y124-I401 HydrophobicContact CD2-CD1 3.98Å; Y124-I401 HydrophobicContact CE1-CD1 3.79Å; Y124-I401 HydrophobicContact CE1-CG1 4.08Å; Y124-I401 HydrophobicContact CE2-CD1 3.74Å; Y124-I401 HydrophobicContact CE2-CG1 4.21Å; Y124-I401 HydrophobicContact CG-CD1 4.12Å
125	H	96.1	Very high	89.1	Confident	10 Å²	10	43.2 Å²	43.2	5%	0.046	23%	0.229	C	C	.	.			trans	-121.9	140.3	-174.3	-67.6	-75.1	0	0	0	110.9	Y120 R123 D129 I130 Y230 W234	Y120-H125 AromaticContact CD1-CE1 3.7Å; Y120-H125 AromaticContact CD1-NE2 3.65Å; Y120-H125 AromaticContact CD2-CE1 3.75Å; Y120-H125 AromaticContact CE1-CE1 3.33Å; Y120-H125 WeakPolarHBondContact CE1-CE1 3.42Å; Y120-H125 AromaticContact CE1-NE2 3.38Å; Y120-H125 WeakPolarHBondContact CE1-NE2 3.29Å; Y120-H125 AromaticContact CE2-CE1 3.41Å; Y120-H125 VanDerWaalsContact CE2-CE1 3.41Å; Y120-H125 WeakPolarHBondContact CE2-CE1 3.47Å; Y120-H125 AromaticContact CE2-ND1 3.96Å; Y120-H125 AromaticContact CG-CE1 3.89Å; Y120-H125 AromaticContact CZ-CE1 3.17Å; Y120-H125 AromaticContact CZ-ND1 3.61Å; Y120-H125 AromaticContact CZ-NE2 3.74Å; Y120-H125 PolarHBondContact O-CE1 3.21Å; Y120-H125 PolarHBondContact O-NE2 3.1Å; R123-H125 VanDerWaalsContact CD-CE1 3.48Å; R123-H125 WeakPolarHBondContact CD-CE1 3.33Å; R123-H125 VanDerWaalsContact CG-CE1 3.45Å; R123-H125 WeakPolarHBondContact CG-CE1 3.29Å; H125-D129 HydrophobicContact CB-CB 4.02Å; H125-I130 HydrophobicContact CB-CD1 4.36Å; H125-I130 HydrophobicContact CB-CG1 3.78Å; H125-Y230 WeakPolarHBondContact O-CE1 3.08Å; H125-Y230 PolarHBondContact O-OH 2.88Å; H125-W234 WeakPolarHBondContact O-CZ2 3.43Å
126	S	97.3	Very high	90.3	Very high	18 Å²	18	43.9 Å²	43.9	13%	0.126	23%	0.233	C	C	.	.			trans	-62.7	163.4	171.6	73.7	0	0	0	0	110.5	E128 D129 I130	S126-E128 PolarHBondContact O-N 3.15Å; S126-D129 WeakPolarHBondContact CB-OD2 3.29Å; S126-D129 PolarHBondContact N-OD2 2.87Å; S126-D129 PolarHBondContact O-N 3.16Å; S126-D129 PolarHBondContact OG-N 3.39Å; S126-D129 PolarHBondContact OG-OD2 2.75Å; S126-I130 WeakPolarHBondContact O-CG1 3.48Å; S126-I130 PolarHBondContact O-N 3.37Å
127	L	98.4	Very high	92	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-38.7	177.6	-176.1	63.8	0	0	0	111.7	I130 Y131 R157 V224 P227 Y230 K231	L127-I130 PolarHBondContact O-N 3.38Å; L127-Y131 HydrophobicContact CD1-CE1 4.11Å; L127-Y131 HydrophobicContact CD1-CE2 3.99Å; L127-Y131 HydrophobicContact CD2-CE2 3.78Å; L127-Y131 HydrophobicContact CG-CD2 4.05Å; L127-Y131 HydrophobicContact CG-CE2 3.6Å; L127-Y131 PolarHBondContact O-N 3.48Å; L127-R157 VanDerWaalsContact CD2-CD 3.41Å; L127-V224 HydrophobicContact CD1-CB 4.45Å; L127-V224 HydrophobicContact CD1-CG1 4.28Å; L127-V224 HydrophobicContact CD1-CG2 4.41Å; L127-P227 HydrophobicContact CD1-CB 3.98Å; L127-P227 HydrophobicContact CD2-CB 3.86Å; L127-P227 WeakPolarHBondContact CD2-O 3.24Å; L127-Y230 HydrophobicContact CB-CD1 4.13Å; L127-Y230 HydrophobicContact CD1-CD1 4.26Å; L127-K231 HydrophobicContact CB-CD 4.4Å; L127-K231 HydrophobicContact CD2-CB 4.05Å
128	E	97	Very high	93.4	Very high	87 Å²	87	38.7 Å²	38.7	41%	0.407	20%	0.197	S	C	.	.	H	α-helix	trans	-65.3	-41.3	178.7	-67.5	74.7	-167.4	0	0	111.8	S126 I130 Y131 Y132 K231	S126-E128 PolarHBondContact O-N 3.15Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-Y131 PolarHBondContact O-N 2.96Å; E128-Y132 WeakPolarHBondContact O-CB 3.49Å; E128-Y132 PolarHBondContact O-N 3.37Å; E128-K231 WeakPolarHBondContact OE1-CE 3.49Å; E128-K231 IonicContact OE1-NZ 3.14Å; E128-K231 PolarHBondContact OE1-NZ 3.49Å; E128-K231 IonicContact OE2-NZ 3.41Å; E128-K231 PolarHBondContact OE2-NZ 3.38Å
129	D	95.5	Very high	94.8	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-40	175.3	-62.7	-41.1	0	0	0	111.2	H125 S126 Y132 W133	H125-D129 HydrophobicContact CB-CB 4.02Å; S126-D129 WeakPolarHBondContact CB-OD2 3.29Å; S126-D129 PolarHBondContact N-OD2 2.87Å; S126-D129 PolarHBondContact O-N 3.16Å; S126-D129 PolarHBondContact OG-N 3.39Å; S126-D129 PolarHBondContact OG-OD2 2.75Å; D129-Y132 PolarHBondContact O-N 2.91Å; D129-W133 VanDerWaalsContact O-CB 3.23Å; D129-W133 WeakPolarHBondContact O-CB 3.4Å; D129-W133 PolarHBondContact O-N 2.03Å
130	I	98.1	Very high	95.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-48.4	174.4	-67.1	171.8	0	0	0	110.2	H125 S126 L127 E128 Y132 W133 I134 P190 L194 P223 V224 Y230	H125-I130 HydrophobicContact CB-CD1 4.36Å; H125-I130 HydrophobicContact CB-CG1 3.78Å; S126-I130 WeakPolarHBondContact O-CG1 3.48Å; S126-I130 PolarHBondContact O-N 3.37Å; L127-I130 PolarHBondContact O-N 3.38Å; E128-I130 VanDerWaalsContact C-N 3.33Å; I130-Y132 VanDerWaalsContact C-N 3.34Å; I130-Y132 PolarHBondContact O-N 2.85Å; I130-W133 CarbonylContact O-C 3.39Å; I130-W133 WeakPolarHBondContact O-CB 3.35Å; I130-W133 PolarHBondContact O-N 3.38Å; I130-W133 VanDerWaalsContact O-N 3.14Å; I130-I134 HydrophobicContact CG2-CD1 4.19Å; I130-I134 HydrophobicContact CG2-CG1 4.39Å; I130-I134 VanDerWaalsContact O-CG1 3.32Å; I130-I134 WeakPolarHBondContact O-CG1 3.34Å; I130-I134 PolarHBondContact O-N 3.28Å; I130-P190 HydrophobicContact CD1-CB 4.41Å; I130-L194 HydrophobicContact CG1-CD1 4.36Å; I130-L194 HydrophobicContact CG1-CD2 4.1Å; I130-L194 HydrophobicContact CG2-CD1 4.18Å; I130-P223 HydrophobicContact CG2-CB 4.39Å; I130-V224 HydrophobicContact CD1-CG2 3.8Å; I130-V224 HydrophobicContact CG2-CG2 4.26Å; I130-Y230 HydrophobicContact CD1-CE1 3.78Å
131	Y	98.4	Very high	96.1	Very high	46 Å²	46	43 Å²	43	18%	0.18	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-40.8	177.8	-72.1	-30.1	0	0	0	113	L127 E128 W133 I134 N135 P158 Y160 P227	L127-Y131 HydrophobicContact CD1-CE1 4.11Å; L127-Y131 HydrophobicContact CD1-CE2 3.99Å; L127-Y131 HydrophobicContact CD2-CE2 3.78Å; L127-Y131 HydrophobicContact CG-CD2 4.05Å; L127-Y131 HydrophobicContact CG-CE2 3.6Å; L127-Y131 PolarHBondContact O-N 3.48Å; E128-Y131 PolarHBondContact O-N 2.96Å; Y131-W133 VanDerWaalsContact C-N 3.33Å; Y131-I134 HydrophobicContact CD1-CD1 4.37Å; Y131-I134 PolarHBondContact O-N 2.91Å; Y131-N135 PolarHBondContact O-N 3Å; Y131-P158 HydrophobicContact CE1-CG 4.18Å; Y131-P158 HydrophobicContact CE2-CG 4.19Å; Y131-P158 PolarHBondContact OH-O 2.99Å; Y131-Y160 AromaticContact CD1-CD2 3.7Å; Y131-Y160 HydrophobicContact CD1-CD2 3.7Å; Y131-Y160 AromaticContact CD1-CE2 3.99Å; Y131-Y160 HydrophobicContact CD1-CE2 3.99Å; Y131-Y160 AromaticContact CE1-CD2 3.78Å; Y131-Y160 HydrophobicContact CE1-CD2 3.78Å; Y131-Y160 HydrophobicContact CE1-CE2 4.16Å; Y131-P227 WeakPolarHBondContact OH-CB 3.19Å
132	Y	96.4	Very high	96.4	Very high	136 Å²	136	46.6 Å²	46.6	53%	0.533	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-45.4	172.7	176.2	-100.1	0	0	0	111.2	E128 D129 I130 I134 N135 K136	E128-Y132 WeakPolarHBondContact O-CB 3.49Å; E128-Y132 PolarHBondContact O-N 3.37Å; D129-Y132 PolarHBondContact O-N 2.91Å; I130-Y132 VanDerWaalsContact C-N 3.34Å; I130-Y132 PolarHBondContact O-N 2.85Å; Y132-I134 PolarHBondContact O-N 2.83Å; Y132-N135 PolarHBondContact O-N 3.11Å; Y132-K136 HydrophobicContact CD1-CG 4.32Å; Y132-K136 HydrophobicContact CD2-CG 4.45Å; Y132-K136 HydrophobicContact CE1-CG 3.77Å; Y132-K136 HydrophobicContact CE2-CD 4.48Å; Y132-K136 HydrophobicContact CE2-CG 3.91Å; Y132-K136 PolarHBondContact O-N 2.89Å; Y132-K136 WeakPolarHBondContact OH-CE 3.27Å
133	W	97.1	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-40.8	177.1	171.9	95.4	0	0	0	112.5	Y120 Y121 D129 I130 Y131 K136 T137 L162 L194 V197 P223	Y120-W133 AromaticContact CE1-CD1 3.6Å; Y120-W133 HydrophobicContact CE1-CG 4.38Å; Y121-W133 HydrophobicContact CE1-CZ2 4.38Å; Y121-W133 AromaticContact CE1-NE1 3.58Å; Y121-W133 AromaticContact CZ-NE1 3.59Å; Y121-W133 PolarHBondContact OH-NE1 3.27Å; D129-W133 VanDerWaalsContact O-CB 3.23Å; D129-W133 WeakPolarHBondContact O-CB 3.4Å; D129-W133 PolarHBondContact O-N 2.03Å; I130-W133 CarbonylContact O-C 3.39Å; I130-W133 WeakPolarHBondContact O-CB 3.35Å; I130-W133 PolarHBondContact O-N 3.38Å; I130-W133 VanDerWaalsContact O-N 3.14Å; Y131-W133 VanDerWaalsContact C-N 3.33Å; W133-K136 PolarHBondContact O-N 3.01Å; W133-T137 HydrophobicContact CZ2-CG2 4.5Å; W133-T137 VanDerWaalsContact O-CB 3.27Å; W133-T137 WeakPolarHBondContact O-CB 3.44Å; W133-T137 PolarHBondContact O-N 3.33Å; W133-T137 PolarHBondContact O-OG1 3.16Å; W133-L162 HydrophobicContact CH2-CD2 4.15Å; W133-L162 HydrophobicContact CZ3-CD1 4.39Å; W133-L162 HydrophobicContact CZ3-CD2 4.01Å; W133-L194 HydrophobicContact CD2-CD2 4.25Å; W133-L194 HydrophobicContact CD2-CG 3.94Å; W133-L194 HydrophobicContact CE3-CD1 4.12Å; W133-L194 HydrophobicContact CE3-CD2 4.44Å; W133-L194 HydrophobicContact CE3-CG 3.87Å; W133-L194 HydrophobicContact CG-CD2 4.47Å; W133-L194 HydrophobicContact CH2-CB 4.46Å; W133-L194 HydrophobicContact CH2-CD1 4.36Å; W133-L194 HydrophobicContact CH2-CG 3.98Å; W133-L194 HydrophobicContact CZ2-CB 4.33Å; W133-L194 HydrophobicContact CZ2-CG 4.04Å; W133-L194 HydrophobicContact CZ3-CD1 3.96Å; W133-L194 HydrophobicContact CZ3-CG 3.9Å; W133-V197 HydrophobicContact CH2-CB 3.64Å; W133-V197 HydrophobicContact CH2-CG1 3.62Å; W133-V197 HydrophobicContact CH2-CG2 3.99Å; W133-V197 HydrophobicContact CZ2-CB 3.96Å; W133-V197 HydrophobicContact CZ2-CG1 3.82Å; W133-P223 HydrophobicContact CZ3-CG 4.42Å
134	I	98.3	Very high	96.9	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-51.3	176.3	-67.9	179.3	0	0	0	110	I130 Y131 Y132 K136 T137 A138 V147 Y160 L162 P223	I130-I134 HydrophobicContact CG2-CD1 4.19Å; I130-I134 HydrophobicContact CG2-CG1 4.39Å; I130-I134 VanDerWaalsContact O-CG1 3.32Å; I130-I134 WeakPolarHBondContact O-CG1 3.34Å; I130-I134 PolarHBondContact O-N 3.28Å; Y131-I134 HydrophobicContact CD1-CD1 4.37Å; Y131-I134 PolarHBondContact O-N 2.91Å; Y132-I134 PolarHBondContact O-N 2.83Å; I134-K136 PolarHBondContact O-N 3.14Å; I134-T137 PolarHBondContact O-N 3.23Å; I134-A138 PolarHBondContact O-N 2.96Å; I134-A138 VanDerWaalsContact O-N 3.12Å; I134-V147 HydrophobicContact CG2-CB 4.42Å; I134-V147 HydrophobicContact CG2-CG1 3.8Å; I134-V147 HydrophobicContact CG2-CG2 3.68Å; I134-Y160 HydrophobicContact CD1-CD2 4.39Å; I134-L162 HydrophobicContact CD1-CD1 4.13Å; I134-L162 HydrophobicContact CG1-CD1 4.02Å; I134-L162 HydrophobicContact CG2-CD1 4.22Å; I134-L162 HydrophobicContact CG2-CD2 4.44Å; I134-L162 HydrophobicContact CG2-CG 4.24Å; I134-P223 HydrophobicContact CD1-CG 4.15Å
135	N	96.9	Very high	97	Very high	88 Å²	88	45 Å²	45	47%	0.471	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-43.5	-179.6	-175.6	31.1	0	0	0	111.6	Y131 Y132 A138 Q139	Y131-N135 PolarHBondContact O-N 3Å; Y132-N135 PolarHBondContact O-N 3.11Å; N135-A138 PolarHBondContact O-N 3.11Å; N135-Q139 PolarHBondContact ND2-NE2 3.26Å; N135-Q139 WeakPolarHBondContact O-CG 3.37Å; N135-Q139 PolarHBondContact O-N 3.29Å; N135-Q139 VanDerWaalsContact O-N 3.16Å; N135-Q139 PolarHBondContact OD1-NE2 3.12Å
136	K	95.9	Very high	97.1	Very high	59 Å²	59	51.6 Å²	51.6	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-67.2	-39.5	177.5	-75.1	-50.1	-171.9	179.3	0	113.6	Y132 W133 I134 A138 Q139 D140	Y132-K136 HydrophobicContact CD1-CG 4.32Å; Y132-K136 HydrophobicContact CD2-CG 4.45Å; Y132-K136 HydrophobicContact CE1-CG 3.77Å; Y132-K136 HydrophobicContact CE2-CD 4.48Å; Y132-K136 HydrophobicContact CE2-CG 3.91Å; Y132-K136 PolarHBondContact O-N 2.89Å; Y132-K136 WeakPolarHBondContact OH-CE 3.27Å; W133-K136 PolarHBondContact O-N 3.01Å; I134-K136 PolarHBondContact O-N 3.14Å; K136-A138 VanDerWaalsContact C-N 3.28Å; K136-A138 PolarHBondContact O-N 3.14Å; K136-Q139 PolarHBondContact O-N 3.42Å; K136-Q139 VanDerWaalsContact O-N 3.13Å; K136-D140 WeakPolarHBondContact O-CB 3.41Å; K136-D140 VanDerWaalsContact O-CG 3.23Å; K136-D140 PolarHBondContact O-N 3.23Å
137	T	96.8	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-39.8	177.1	-58.9	0	0	0	0	111.4	R115 W133 I134 D140 Y141 V145 L162 V197 L201	R115-T137 PolarHBondContact NH1-OG1 3.41Å; W133-T137 HydrophobicContact CZ2-CG2 4.5Å; W133-T137 VanDerWaalsContact O-CB 3.27Å; W133-T137 WeakPolarHBondContact O-CB 3.44Å; W133-T137 PolarHBondContact O-N 3.33Å; W133-T137 PolarHBondContact O-OG1 3.16Å; I134-T137 PolarHBondContact O-N 3.23Å; T137-D140 PolarHBondContact O-N 3.04Å; T137-Y141 HydrophobicContact CG2-CD2 4.49Å; T137-Y141 PolarHBondContact O-N 3.32Å; T137-Y141 VanDerWaalsContact O-N 3.09Å; T137-V145 HydrophobicContact CG2-CG2 4.35Å; T137-L162 HydrophobicContact CG2-CD2 4.37Å; T137-V197 HydrophobicContact CG2-CG1 4.03Å; T137-L201 HydrophobicContact CG2-CD1 3.56Å
138	A	97.3	Very high	97.1	Very high	21 Å²	21	56.1 Å²	56.1	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-35.7	175	0	0	0	0	0	113.4	I134 N135 K136 P142 V145 V147	I134-A138 PolarHBondContact O-N 2.96Å; I134-A138 VanDerWaalsContact O-N 3.12Å; N135-A138 PolarHBondContact O-N 3.11Å; K136-A138 VanDerWaalsContact C-N 3.28Å; K136-A138 PolarHBondContact O-N 3.14Å; A138-P142 WeakPolarHBondContact O-CA 3.24Å; A138-V145 HydrophobicContact CB-CG1 4.33Å; A138-V147 HydrophobicContact CB-CG2 3.63Å
139	Q	96.7	Very high	97.2	Very high	91 Å²	91	56.6 Å²	56.6	43%	0.425	29%	0.286	S	S	.	.	H	α-helix	trans	-71.9	-37	177	-71.1	170.7	19.2	0	0	112.5	N135 K136 P142	N135-Q139 PolarHBondContact ND2-NE2 3.26Å; N135-Q139 WeakPolarHBondContact O-CG 3.37Å; N135-Q139 PolarHBondContact O-N 3.29Å; N135-Q139 VanDerWaalsContact O-N 3.16Å; N135-Q139 PolarHBondContact OD1-NE2 3.12Å; K136-Q139 PolarHBondContact O-N 3.42Å; K136-Q139 VanDerWaalsContact O-N 3.13Å; Q139-P142 WeakPolarHBondContact O-CD 3.44Å
140	D	96.4	Very high	97.3	Very high	87 Å²	87	55.1 Å²	55.1	47%	0.465	28%	0.277	S	S	.	.	H	α-helix	trans	-81.6	-23.9	-175.7	-65.5	-17.8	0	0	0	112.4	R115 K136 T137 P142	R115-D140 IonicContact CZ-OD2 3.7Å; R115-D140 IonicContact NE-OD2 2.77Å; R115-D140 IonicContact NH2-OD2 2.72Å; R115-D140 PolarHBondContact NH2-OD2 3.31Å; K136-D140 WeakPolarHBondContact O-CB 3.41Å; K136-D140 VanDerWaalsContact O-CG 3.23Å; K136-D140 PolarHBondContact O-N 3.23Å; T137-D140 PolarHBondContact O-N 3.04Å; D140-P142 VanDerWaalsContact C-CD 3.48Å
141	Y	96.9	Very high	97.4	Very high	46 Å²	46	56 Å²	56	18%	0.18	29%	0.288	C	S	.	.			trans	-130.8	55.9	179	-58.6	-93.2	0	0	0	112.6	T137 D143 M144 V145 L201 N202	T137-Y141 HydrophobicContact CG2-CD2 4.49Å; T137-Y141 PolarHBondContact O-N 3.32Å; T137-Y141 VanDerWaalsContact O-N 3.09Å; Y141-D143 PolarHBondContact O-N 2.98Å; Y141-D143 VanDerWaalsContact O-N 3.14Å; Y141-M144 PolarHBondContact O-N 2.86Å; Y141-V145 WeakPolarHBondContact O-CB 3.5Å; Y141-V145 PolarHBondContact O-N 2.85Å; Y141-L201 HydrophobicContact CD1-CB 4.22Å; Y141-L201 HydrophobicContact CD1-CD1 4.49Å; Y141-L201 HydrophobicContact CD1-CD2 4.18Å; Y141-L201 HydrophobicContact CD2-CD1 3.76Å; Y141-L201 HydrophobicContact CE1-CB 3.99Å; Y141-L201 HydrophobicContact CE2-CB 4.45Å; Y141-L201 HydrophobicContact CE2-CD1 4.05Å; Y141-L201 HydrophobicContact CG-CD1 3.99Å; Y141-L201 HydrophobicContact CG-CD2 4.14Å; Y141-L201 HydrophobicContact CG-CG 4.45Å; Y141-N202 PolarHBondContact OH-OD1 3.3Å
142	P	96.4	Very high	97.4	Very high	91 Å²	91	56.3 Å²	56.3	59%	0.591	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.5	-171.5	29.6	-36.3	0	0	0	113.6	A138 Q139 D140	A138-P142 WeakPolarHBondContact O-CA 3.24Å; Q139-P142 WeakPolarHBondContact O-CD 3.44Å; D140-P142 VanDerWaalsContact C-CD 3.48Å
143	D	95.2	Very high	97.5	Very high	85 Å²	85	49.8 Å²	49.8	46%	0.455	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-18.1	177.2	61	-36.2	0	0	0	113.4	Y141 R167	Y141-D143 PolarHBondContact O-N 2.98Å; Y141-D143 VanDerWaalsContact O-N 3.14Å; D143-R167 IonicContact OD1-NH2 3.73Å; D143-R167 IonicContact OD2-CZ 2.64Å; D143-R167 VanDerWaalsContact OD2-CZ 3.22Å; D143-R167 IonicContact OD2-NE 2.67Å; D143-R167 PolarHBondContact OD2-NE 2.87Å; D143-R167 IonicContact OD2-NH2 3.96Å; D143-R167 PolarHBondContact OD2-NH2 3.06Å
144	M	96.9	Very high	97.6	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.03	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-23.4	-177.7	-65.8	-175	66.8	0	0	113.7	Y141 L164 S165 R167 L201 Y204 L214	Y141-M144 PolarHBondContact O-N 2.86Å; M144-L164 CarbonylContact O-C 3.59Å; M144-L164 WeakPolarHBondContact O-CA 3.37Å; M144-S165 WeakPolarHBondContact CA-O 3.47Å; M144-S165 WeakPolarHBondContact CB-O 3.44Å; M144-S165 PolarHBondContact O-N 2.83Å; M144-R167 HydrophobicContact CG-CG 3.91Å; M144-R167 HydrophobicContact SD-CG 4.2Å; M144-L201 HydrophobicContact CB-CD2 3.96Å; M144-L201 HydrophobicContact CE-CD2 4.12Å; M144-L201 HydrophobicContact SD-CD2 4.31Å; M144-Y204 HydrophobicContact CE-CD1 3.52Å; M144-Y204 HydrophobicContact CE-CD2 3.99Å; M144-Y204 HydrophobicContact CE-CE1 4.1Å; M144-Y204 HydrophobicContact CE-CG 3.46Å; M144-Y204 VanDerWaalsContact CE-CG 3.46Å; M144-Y204 HydrophobicContact SD-CD1 3.82Å; M144-Y204 HydrophobicContact SD-CE1 4.36Å; M144-Y204 HydrophobicContact SD-CG 4.31Å; M144-L214 HydrophobicContact CE-CD1 3.89Å
145	V	98.3	Very high	97.6	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.8	-172.1	-176.7	0	0	0	0	110.9	T137 A138 Y141 L162 K163 L164 L201	T137-V145 HydrophobicContact CG2-CG2 4.35Å; A138-V145 HydrophobicContact CB-CG1 4.33Å; Y141-V145 WeakPolarHBondContact O-CB 3.5Å; Y141-V145 PolarHBondContact O-N 2.85Å; V145-L162 HydrophobicContact CG1-CB 4.42Å; V145-L162 HydrophobicContact CG1-CD2 4.12Å; V145-K163 WeakPolarHBondContact CA-O 3.48Å; V145-L164 HydrophobicContact CG1-CD2 4.39Å; V145-L164 HydrophobicContact CG2-CD2 3.79Å; V145-L201 HydrophobicContact CG2-CD1 3.91Å; V145-L201 HydrophobicContact CG2-CD2 3.65Å; V145-L201 HydrophobicContact CG2-CG 4.38Å
146	K	98	Very high	97.7	Very high	147 Å²	147	61.5 Å²	61.5	64%	0.639	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.1	166.9	-65.5	-175.8	179.2	-179.5	0	109.9	K163	K146-K163 HydrophobicContact CB-CB 4.37Å; K146-K163 PolarHBondContact N-O 2.9Å; K146-K163 PolarHBondContact O-N 2.99Å
147	V	98.6	Very high	97.8	Very high	53 Å²	53	61.4 Å²	61.4	32%	0.321	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.7	177.5	179.1	0	0	0	0	109.3	I134 A138 Y160 V161 L162	I134-V147 HydrophobicContact CG2-CB 4.42Å; I134-V147 HydrophobicContact CG2-CG1 3.8Å; I134-V147 HydrophobicContact CG2-CG2 3.68Å; A138-V147 HydrophobicContact CB-CG2 3.63Å; V147-Y160 HydrophobicContact CG1-CD1 3.74Å; V147-Y160 HydrophobicContact CG1-CG 4.12Å; V147-V161 WeakPolarHBondContact CA-O 3.24Å; V147-L162 HydrophobicContact CG2-CG 4.34Å
148	T	98.3	Very high	97.9	Very high	61 Å²	61	62.9 Å²	62.9	37%	0.374	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.9	176.9	-54	0	0	0	0	109.4	I150 V161	T148-I150 HydrophobicContact CG2-CG2 4.28Å; T148-V161 PolarHBondContact N-O 2.98Å; T148-V161 PolarHBondContact O-N 2.81Å
149	L	98.7	Very high	98	Very high	96 Å²	96	61.9 Å²	61.9	50%	0.503	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.1	167.7	178.9	66.2	0	0	0	108.3	G151 P158 Y160	L149-G151 WeakPolarHBondContact CD1-O 3.12Å; L149-P158 HydrophobicContact CD1-CB 3.39Å; L149-Y160 HydrophobicContact CB-CD1 4.26Å; L149-Y160 HydrophobicContact CB-CE1 4.15Å; L149-Y160 HydrophobicContact CD1-CD1 4.09Å; L149-Y160 HydrophobicContact CD1-CE1 3.88Å
150	I	98.7	Very high	98.1	Very high	32 Å²	32	61.1 Å²	61.1	16%	0.164	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-13.2	-177.4	64.4	162.3	0	0	0	113.3	T148 L159 V161 W177 L222 A292 V293 F296	T148-I150 HydrophobicContact CG2-CG2 4.28Å; I150-L159 HydrophobicContact CD1-CB 4.35Å; I150-L159 HydrophobicContact CG1-CB 3.78Å; I150-L159 WeakPolarHBondContact CG1-O 3.42Å; I150-L159 PolarHBondContact N-O 3.47Å; I150-V161 HydrophobicContact CB-CG2 4.43Å; I150-V161 HydrophobicContact CD1-CG2 3.74Å; I150-V161 HydrophobicContact CG1-CG2 4.02Å; I150-V161 HydrophobicContact CG2-CB 4.11Å; I150-V161 HydrophobicContact CG2-CG2 3.56Å; I150-W177 HydrophobicContact CD1-CH2 4.24Å; I150-L222 HydrophobicContact CD1-CD2 4.33Å; I150-A292 HydrophobicContact CD1-CB 4.39Å; I150-A292 HydrophobicContact CG1-CB 4.39Å; I150-V293 HydrophobicContact CD1-CG2 4.1Å; I150-F296 HydrophobicContact CB-CD2 4.37Å; I150-F296 HydrophobicContact CG2-CB 4.45Å; I150-F296 HydrophobicContact CG2-CD2 3.49Å; I150-F296 VanDerWaalsContact CG2-CD2 3.49Å; I150-F296 HydrophobicContact CG2-CE2 4.01Å; I150-F296 HydrophobicContact CG2-CG 4.15Å
151	G	98.6	Very high	98.2	Very high	22 Å²	22	57 Å²	57	23%	0.227	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-164.9	-177.4	0	0	0	0	0	111.8	L149 L159	L149-G151 WeakPolarHBondContact CD1-O 3.12Å; G151-L159 PolarHBondContact O-N 3.49Å; G151-L159 VanDerWaalsContact O-N 3.07Å
152	S	98.6	Very high	98.3	Very high	51 Å²	51	54.8 Å²	54.8	36%	0.357	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.6	176.6	-56.5	0	0	0	0	110.3	R157 P288	S152-R157 CarbonylContact C-O 3.58Å; S152-R157 WeakPolarHBondContact CA-O 3.35Å; S152-P288 WeakPolarHBondContact O-CB 3.39Å
153	S	98.8	Very high	98.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.			trans	-68.9	176.8	176.8	67.1	0	0	0	0	112.4	E155 K156 R157 D228 E289	S153-E155 VanDerWaalsContact C-N 3.34Å; S153-E155 PolarHBondContact O-N 2.85Å; S153-K156 PolarHBondContact O-N 2.95Å; S153-K156 PolarHBondContact OG-N 3.49Å; S153-R157 PolarHBondContact N-O 2.78Å; S153-R157 WeakPolarHBondContact OG-CB 3.3Å; S153-R157 PolarHBondContact OG-N 2.6Å; S153-R157 PolarHBondContact OG-O 2.73Å; S153-D228 VanDerWaalsContact CB-CG 3.44Å; S153-D228 VanDerWaalsContact CB-OD1 3.23Å; S153-D228 WeakPolarHBondContact CB-OD1 3.27Å; S153-D228 VanDerWaalsContact CB-OD2 3.26Å; S153-D228 WeakPolarHBondContact CB-OD2 3.5Å; S153-D228 PolarHBondContact OG-OD1 3.44Å; S153-D228 PolarHBondContact OG-OD2 2.88Å; S153-D228 VanDerWaalsContact OG-OD2 3.08Å; S153-E289 VanDerWaalsContact CA-OE1 3.24Å; S153-E289 WeakPolarHBondContact CA-OE1 3.35Å; S153-E289 WeakPolarHBondContact CB-OE1 3.37Å
154	Y	98.6	Very high	98.5	Very high	94 Å²	94	49 Å²	49	37%	0.369	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-48.2	175.7	-175.8	-94	0	0	0	112.1	K156 D228 M246 E289	Y154-K156 WeakPolarHBondContact O-CE 3.33Å; Y154-K156 PolarHBondContact O-N 2.9Å; Y154-D228 PolarHBondContact N-OD2 2.88Å; Y154-M246 HydrophobicContact CE1-CG 4.2Å; Y154-E289 PolarHBondContact N-OE1 3.3Å
155	E	98.7	Very high	98.5	Very high	87 Å²	87	50 Å²	50	41%	0.407	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	15.3	176.4	-58.5	-177.4	177.6	0	0	113.4	S153 R157 D228	S153-E155 VanDerWaalsContact C-N 3.34Å; S153-E155 PolarHBondContact O-N 2.85Å; E155-R157 PolarHBondContact O-N 2.78Å; E155-R157 IonicContact OE2-CZ 3.32Å; E155-R157 VanDerWaalsContact OE2-CZ 3.28Å; E155-R157 IonicContact OE2-NH1 3.96Å; E155-R157 PolarHBondContact OE2-NH1 3.21Å; E155-R157 IonicContact OE2-NH2 3.56Å; E155-R157 PolarHBondContact OE2-NH2 2.63Å; E155-D228 WeakPolarHBondContact CB-OD2 3.34Å; E155-D228 HydrophobicContact CG-CB 4.37Å; E155-D228 WeakPolarHBondContact CG-OD2 3.48Å; E155-D228 PolarHBondContact N-OD2 2.74Å
156	K	98.6	Very high	98.3	Very high	158 Å²	158	50 Å²	50	69%	0.687	25%	0.249	S	C	*	.			trans	67.5	30.6	172.6	-47	-55.5	172	-159.7	0	115.2	S153 Y154	S153-K156 PolarHBondContact O-N 2.95Å; S153-K156 PolarHBondContact OG-N 3.49Å; Y154-K156 WeakPolarHBondContact O-CE 3.33Å; Y154-K156 PolarHBondContact O-N 2.9Å
157	R	98.8	Very high	97.8	Very high	58 Å²	58	49.6 Å²	49.6	22%	0.219	24%	0.243	C	C	.	.			trans	-84.6	142.7	168.7	-58.4	-167.6	-178.5	75	5.1	110.6	L127 S152 S153 E155 P227 D228	L127-R157 VanDerWaalsContact CD2-CD 3.41Å; S152-R157 CarbonylContact C-O 3.58Å; S152-R157 WeakPolarHBondContact CA-O 3.35Å; S153-R157 PolarHBondContact N-O 2.78Å; S153-R157 WeakPolarHBondContact OG-CB 3.3Å; S153-R157 PolarHBondContact OG-N 2.6Å; S153-R157 PolarHBondContact OG-O 2.73Å; E155-R157 PolarHBondContact O-N 2.78Å; E155-R157 IonicContact OE2-CZ 3.32Å; E155-R157 VanDerWaalsContact OE2-CZ 3.28Å; E155-R157 IonicContact OE2-NH1 3.96Å; E155-R157 PolarHBondContact OE2-NH1 3.21Å; E155-R157 IonicContact OE2-NH2 3.56Å; E155-R157 PolarHBondContact OE2-NH2 2.63Å; R157-P227 HydrophobicContact CB-CB 4.19Å; R157-P227 HydrophobicContact CB-CG 4.15Å; R157-D228 IonicContact CZ-OD1 3.77Å; R157-D228 VanDerWaalsContact NH1-CG 3.3Å; R157-D228 IonicContact NH1-OD1 3.78Å; R157-D228 PolarHBondContact NH1-OD1 3.47Å
158	P	98.8	Very high	97	Very high	30 Å²	30	52 Å²	52	20%	0.195	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.6	-176.6	27.7	-34.7	0	0	0	112.5	Y131 L149 Y160	Y131-P158 HydrophobicContact CE1-CG 4.18Å; Y131-P158 HydrophobicContact CE2-CG 4.19Å; Y131-P158 PolarHBondContact OH-O 2.99Å; L149-P158 HydrophobicContact CD1-CB 3.39Å; P158-Y160 HydrophobicContact CB-CD1 4.47Å; P158-Y160 HydrophobicContact CB-CD2 4.04Å; P158-Y160 HydrophobicContact CB-CE1 3.98Å; P158-Y160 HydrophobicContact CB-CE2 3.5Å; P158-Y160 VanDerWaalsContact CB-CE2 3.5Å; P158-Y160 HydrophobicContact CB-CG 4.49Å; P158-Y160 VanDerWaalsContact CB-CZ 3.44Å; P158-Y160 HydrophobicContact CG-CD2 3.99Å; P158-Y160 HydrophobicContact CG-CE2 3.24Å
159	L	98.9	Very high	95.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	105.7	166.4	-76.5	84.6	0	0	0	109.1	I150 G151 L222 P227 E289 A292	I150-L159 HydrophobicContact CD1-CB 4.35Å; I150-L159 HydrophobicContact CG1-CB 3.78Å; I150-L159 WeakPolarHBondContact CG1-O 3.42Å; I150-L159 PolarHBondContact N-O 3.47Å; G151-L159 PolarHBondContact O-N 3.49Å; G151-L159 VanDerWaalsContact O-N 3.07Å; L159-L222 HydrophobicContact CB-CD1 4.47Å; L159-P227 HydrophobicContact CD1-CG 4.42Å; L159-E289 HydrophobicContact CD1-CG 4.45Å; L159-E289 HydrophobicContact CD2-CB 4.15Å; L159-E289 HydrophobicContact CD2-CG 4.42Å; L159-A292 HydrophobicContact CD2-CB 4.39Å
160	Y	98.8	Very high	94.1	Very high	75 Å²	75	60.9 Å²	60.9	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.2	-178.3	-68.3	-58.3	0	0	0	112	Y131 I134 V147 L149 P158 L222 P223	Y131-Y160 AromaticContact CD1-CD2 3.7Å; Y131-Y160 HydrophobicContact CD1-CD2 3.7Å; Y131-Y160 AromaticContact CD1-CE2 3.99Å; Y131-Y160 HydrophobicContact CD1-CE2 3.99Å; Y131-Y160 AromaticContact CE1-CD2 3.78Å; Y131-Y160 HydrophobicContact CE1-CD2 3.78Å; Y131-Y160 HydrophobicContact CE1-CE2 4.16Å; I134-Y160 HydrophobicContact CD1-CD2 4.39Å; V147-Y160 HydrophobicContact CG1-CD1 3.74Å; V147-Y160 HydrophobicContact CG1-CG 4.12Å; L149-Y160 HydrophobicContact CB-CD1 4.26Å; L149-Y160 HydrophobicContact CB-CE1 4.15Å; L149-Y160 HydrophobicContact CD1-CD1 4.09Å; L149-Y160 HydrophobicContact CD1-CE1 3.88Å; P158-Y160 HydrophobicContact CB-CD1 4.47Å; P158-Y160 HydrophobicContact CB-CD2 4.04Å; P158-Y160 HydrophobicContact CB-CE1 3.98Å; P158-Y160 HydrophobicContact CB-CE2 3.5Å; P158-Y160 VanDerWaalsContact CB-CE2 3.5Å; P158-Y160 HydrophobicContact CB-CG 4.49Å; P158-Y160 VanDerWaalsContact CB-CZ 3.44Å; P158-Y160 HydrophobicContact CG-CD2 3.99Å; P158-Y160 HydrophobicContact CG-CE2 3.24Å; Y160-L222 VanDerWaalsContact O-CD1 3.3Å; Y160-L222 WeakPolarHBondContact O-CD1 3.41Å; Y160-P223 WeakPolarHBondContact O-CD 3.33Å
161	V	98.9	Very high	92.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.9	171.4	176.4	0	0	0	0	109.3	V147 T148 I150 W177 Y220 V221 L222	V147-V161 WeakPolarHBondContact CA-O 3.24Å; T148-V161 PolarHBondContact N-O 2.98Å; T148-V161 PolarHBondContact O-N 2.81Å; I150-V161 HydrophobicContact CB-CG2 4.43Å; I150-V161 HydrophobicContact CD1-CG2 3.74Å; I150-V161 HydrophobicContact CG1-CG2 4.02Å; I150-V161 HydrophobicContact CG2-CB 4.11Å; I150-V161 HydrophobicContact CG2-CG2 3.56Å; V161-W177 HydrophobicContact CG1-CZ3 4.05Å; V161-W177 HydrophobicContact CG2-CH2 3.72Å; V161-W177 HydrophobicContact CG2-CZ3 3.88Å; V161-Y220 HydrophobicContact CG1-CD1 3.87Å; V161-Y220 HydrophobicContact CG1-CG 4.29Å; V161-V221 CarbonylContact C-O 3.47Å; V161-V221 WeakPolarHBondContact CA-O 3.46Å; V161-L222 HydrophobicContact CG2-CB 4.19Å; V161-L222 HydrophobicContact CG2-CD1 4.16Å
162	L	98.9	Very high	91.5	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.7	169.9	-60.4	86.6	0	0	0	108.5	W133 I134 T137 V145 V147 L164 V197 Y220 V221 P223	W133-L162 HydrophobicContact CH2-CD2 4.15Å; W133-L162 HydrophobicContact CZ3-CD1 4.39Å; W133-L162 HydrophobicContact CZ3-CD2 4.01Å; I134-L162 HydrophobicContact CD1-CD1 4.13Å; I134-L162 HydrophobicContact CG1-CD1 4.02Å; I134-L162 HydrophobicContact CG2-CD1 4.22Å; I134-L162 HydrophobicContact CG2-CD2 4.44Å; I134-L162 HydrophobicContact CG2-CG 4.24Å; T137-L162 HydrophobicContact CG2-CD2 4.37Å; V145-L162 HydrophobicContact CG1-CB 4.42Å; V145-L162 HydrophobicContact CG1-CD2 4.12Å; V147-L162 HydrophobicContact CG2-CG 4.34Å; L162-L164 HydrophobicContact CB-CD2 4.4Å; L162-V197 HydrophobicContact CD2-CG1 4.27Å; L162-Y220 CarbonylContact O-C 3.47Å; L162-Y220 WeakPolarHBondContact O-CA 3.39Å; L162-V221 PolarHBondContact N-O 2.77Å; L162-V221 PolarHBondContact O-N 3.47Å; L162-P223 HydrophobicContact CD1-CG 3.57Å
163	K	98.4	Very high	90.9	Very high	54 Å²	54	71 Å²	71	24%	0.235	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.5	166.3	178.8	-178.1	176.7	153.2	0	108.7	V145 K146 D218 I219 Y220	V145-K163 WeakPolarHBondContact CA-O 3.48Å; K146-K163 HydrophobicContact CB-CB 4.37Å; K146-K163 PolarHBondContact N-O 2.9Å; K146-K163 PolarHBondContact O-N 2.99Å; K163-D218 VanDerWaalsContact CE-OD1 3.29Å; K163-D218 WeakPolarHBondContact CE-OD1 3.39Å; K163-D218 WeakPolarHBondContact CE-OD2 3.48Å; K163-D218 IonicContact NZ-OD1 3.46Å; K163-D218 IonicContact NZ-OD2 2.67Å; K163-D218 PolarHBondContact NZ-OD2 2.85Å; K163-I219 WeakPolarHBondContact CA-O 3.24Å; K163-Y220 HydrophobicContact CB-CD1 3.83Å; K163-Y220 HydrophobicContact CB-CE1 3.69Å; K163-Y220 HydrophobicContact CD-CE1 3.73Å; K163-Y220 HydrophobicContact CG-CD1 4.09Å; K163-Y220 HydrophobicContact CG-CE1 3.63Å; K163-Y220 PolarHBondContact NZ-OH 2.87Å
164	L	98.3	Very high	90.7	Very high	1 Å²	1	76.6 Å²	76.6	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.4	170.2	-45.5	-177.8	0	0	0	109.6	M144 V145 L162 F196 V197 L214 I219 V221	M144-L164 CarbonylContact O-C 3.59Å; M144-L164 WeakPolarHBondContact O-CA 3.37Å; V145-L164 HydrophobicContact CG1-CD2 4.39Å; V145-L164 HydrophobicContact CG2-CD2 3.79Å; L162-L164 HydrophobicContact CB-CD2 4.4Å; L164-F196 HydrophobicContact CD1-CE1 4.14Å; L164-V197 HydrophobicContact CD1-CG1 4.49Å; L164-V197 HydrophobicContact CD1-CG2 4.17Å; L164-V197 HydrophobicContact CD2-CG1 4.06Å; L164-L214 HydrophobicContact CB-CD2 3.69Å; L164-I219 HydrophobicContact CB-CB 4.3Å; L164-I219 PolarHBondContact N-O 2.85Å; L164-I219 PolarHBondContact O-N 3.35Å; L164-V221 HydrophobicContact CD1-CG2 4.35Å
165	S	96.1	Very high	90.7	Very high	27 Å²	27	72.2 Å²	72.2	19%	0.189	34%	0.336	C	S	.	.			trans	-140	143.9	171.4	172.6	0	0	0	0	110.2	M144 K173 D218	M144-S165 WeakPolarHBondContact CA-O 3.47Å; M144-S165 WeakPolarHBondContact CB-O 3.44Å; M144-S165 PolarHBondContact O-N 2.83Å; S165-K173 PolarHBondContact OG-NZ 2.82Å; S165-D218 WeakPolarHBondContact CB-OD1 3.47Å
166	G	93.4	Very high	90.7	Very high	4 Å²	4	68.1 Å²	68.1	4%	0.041	32%	0.317	C	S	.	.			trans	-62.3	156.4	167.5	0	0	0	0	0	111.8	Q168 Y204 L214	G166-Q168 PolarHBondContact O-N 3.14Å; G166-Y204 WeakPolarHBondContact CA-OH 3.27Å; G166-L214 WeakPolarHBondContact CA-O 3.34Å; G166-L214 PolarHBondContact N-O 2.03Å
167	R	88.9	Confident	90.7	Very high	138 Å²	138	60.6 Å²	60.6	52%	0.521	28%	0.284	S	S	.	.	S	Bend	trans	-69.4	-14.7	-179.4	-67	176.9	170	151.1	-1	114	D143 M144 E169 Y204	D143-R167 IonicContact OD1-NH2 3.73Å; D143-R167 IonicContact OD2-CZ 2.64Å; D143-R167 VanDerWaalsContact OD2-CZ 3.22Å; D143-R167 IonicContact OD2-NE 2.67Å; D143-R167 PolarHBondContact OD2-NE 2.87Å; D143-R167 IonicContact OD2-NH2 3.96Å; D143-R167 PolarHBondContact OD2-NH2 3.06Å; M144-R167 HydrophobicContact CG-CG 3.91Å; M144-R167 HydrophobicContact SD-CG 4.2Å; R167-E169 PolarHBondContact O-N 2.85Å; R167-Y204 HydrophobicContact CB-CE1 4.03Å; R167-Y204 HydrophobicContact CG-CE1 3.84Å; R167-Y204 PolarHBondContact N-OH 2.8Å
168	Q	80.6	Confident	90.7	Very high	102 Å²	102	57.9 Å²	57.9	48%	0.477	27%	0.274	S	S	.	.	S	Bend	trans	-75.6	112.5	173.3	-65.1	-174	-2.2	0	0	109.1	G166 R170 K173	G166-Q168 PolarHBondContact O-N 3.14Å; Q168-R170 PolarHBondContact O-N 2.9Å; Q168-K173 PolarHBondContact O-NZ 2.64Å
169	E	66.1	Low	90.7	Very high	197 Å²	197	56.4 Å²	56.4	92%	0.921	26%	0.264	S	S	*	.			trans	-65.6	116.7	172.6	-74.2	-172.4	163.7	0	0	109.6	R167	R167-E169 PolarHBondContact O-N 2.85Å
170	R	70.3	Confident	90.7	Very high	147 Å²	147	56.4 Å²	56.4	56%	0.555	26%	0.264	S	S	*	.			trans	-123.4	132	162.8	-79.1	-177.2	173.7	174.5	-2.2	107.2	Q168 E172 K173	Q168-R170 PolarHBondContact O-N 2.9Å; R170-E172 PolarHBondContact O-N 2.96Å; R170-K173 HydrophobicContact CB-CG 4.21Å
171	A	67.1	Low	90.7	Very high	102 Å²	102	52.9 Å²	52.9	84%	0.843	25%	0.25	S	S	*	.	S	Bend	trans	-63.5	131.1	169.1	0	0	0	0	0	109
172	E	75.5	Confident	90.7	Very high	195 Å²	195	52.9 Å²	52.9	91%	0.911	25%	0.25	S	S	*	.	S	Bend	trans	54.4	70.9	170.5	-59.5	-175.6	175.7	0	0	115.9	R170	R170-E172 PolarHBondContact O-N 2.96Å
173	K	87.4	Confident	90.7	Very high	21 Å²	21	53.1 Å²	53.1	9%	0.091	25%	0.251	C	S	.	.			trans	-70.7	144.4	170.1	-65.8	-178.2	-176.9	173.8	0	111.4	S165 Q168 R170 L214 N215	S165-K173 PolarHBondContact OG-NZ 2.82Å; Q168-K173 PolarHBondContact O-NZ 2.64Å; R170-K173 HydrophobicContact CB-CG 4.21Å; K173-L214 PolarHBondContact NZ-O 2.86Å; K173-N215 WeakPolarHBondContact CE-O 3.48Å
174	R	94.5	Very high	90.7	Very high	118 Å²	118	50.5 Å²	50.5	45%	0.445	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	166.1	159.6	-61.3	-59.2	-172.6	-172	-9	109.4	M217 D218 D302 S303 K305	R174-M217 HydrophobicContact CB-CE 4.05Å; R174-M217 HydrophobicContact CB-CG 4.16Å; R174-M217 HydrophobicContact CB-SD 4.45Å; R174-M217 CarbonylContact O-C 3.57Å; R174-M217 WeakPolarHBondContact O-CA 3.47Å; R174-M217 VanDerWaalsContact O-CB 3.31Å; R174-M217 WeakPolarHBondContact O-CB 3.38Å; R174-D218 PolarHBondContact O-N 2.85Å; R174-D302 PolarHBondContact NH1-O 3.33Å; R174-S303 CarbonylContact C-O 3.52Å; R174-S303 VanDerWaalsContact CA-O 3.31Å; R174-S303 WeakPolarHBondContact CA-O 3.27Å; R174-K305 HydrophobicContact CB-CG 3.99Å; R174-K305 HydrophobicContact CG-CG 4.09Å
175	A	97.2	Very high	90.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.5	-173.6	0	0	0	0	0	114.6	D218 Y220 S303 V304 K305	A175-D218 CarbonylContact C-O 3.5Å; A175-D218 WeakPolarHBondContact CA-O 3.46Å; A175-D218 HydrophobicContact CB-CB 4.22Å; A175-Y220 HydrophobicContact CB-CD2 3.8Å; A175-Y220 HydrophobicContact CB-CE2 3.52Å; A175-S303 PolarHBondContact N-O 3.43Å; A175-V304 HydrophobicContact CB-CG2 4.01Å; A175-V304 CarbonylContact O-C 3.51Å; A175-V304 WeakPolarHBondContact O-CA 3.32Å; A175-K305 PolarHBondContact O-N 2.91Å
176	I	98.7	Very high	90.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.9	166.6	-55.6	176.3	0	0	0	107	I178 M213 M217 D218 I219 Y220 L306 L308 A416	I176-I178 HydrophobicContact CG2-CD1 4.38Å; I176-I178 HydrophobicContact CG2-CG1 3.98Å; I176-M213 HydrophobicContact CD1-CE 4.39Å; I176-M217 HydrophobicContact CD1-CB 4.46Å; I176-M217 HydrophobicContact CD1-SD 4.06Å; I176-M217 HydrophobicContact CG1-CB 4.21Å; I176-M217 HydrophobicContact CG1-SD 3.58Å; I176-M217 VanDerWaalsContact CG1-SD 3.58Å; I176-D218 PolarHBondContact N-O 3.48Å; I176-I219 HydrophobicContact CB-CG1 4.36Å; I176-I219 HydrophobicContact CB-CG2 4.23Å; I176-I219 HydrophobicContact CD1-CD1 4.41Å; I176-I219 HydrophobicContact CD1-CG1 4.31Å; I176-I219 HydrophobicContact CG2-CG2 4.41Å; I176-I219 WeakPolarHBondContact O-CA 3.25Å; I176-Y220 PolarHBondContact O-N 3.27Å; I176-L306 CarbonylContact C-O 3.48Å; I176-L306 WeakPolarHBondContact CA-O 3.34Å; I176-L306 HydrophobicContact CB-CB 4.41Å; I176-L306 HydrophobicContact CD1-CD2 4.2Å; I176-L306 HydrophobicContact CG1-CB 4.15Å; I176-L306 HydrophobicContact CG1-CD2 4.22Å; I176-L306 HydrophobicContact CG2-CB 4.09Å; I176-L306 HydrophobicContact CG2-CD2 3.92Å; I176-L306 HydrophobicContact CG2-CG 3.96Å; I176-L308 HydrophobicContact CG2-CD1 4.34Å; I176-A416 HydrophobicContact CD1-CB 4.02Å
177	W	98.9	Very high	91.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.8	168.9	174.1	-86.7	0	0	0	109.9	I150 V161 D179 Y220 L222 V293 F296 L297 V304 L306 Y307 L308	I150-W177 HydrophobicContact CD1-CH2 4.24Å; V161-W177 HydrophobicContact CG1-CZ3 4.05Å; V161-W177 HydrophobicContact CG2-CH2 3.72Å; V161-W177 HydrophobicContact CG2-CZ3 3.88Å; W177-D179 HydrophobicContact CZ2-CB 4.14Å; W177-D179 PolarHBondContact NE1-OD2 3.44Å; W177-Y220 HydrophobicContact CE3-CG 4.46Å; W177-L222 HydrophobicContact CH2-CB 4.01Å; W177-L222 HydrophobicContact CH2-CD2 4.13Å; W177-L222 HydrophobicContact CZ2-CB 3.91Å; W177-L222 HydrophobicContact CZ2-CD2 3.87Å; W177-V293 HydrophobicContact CZ2-CG1 3.83Å; W177-V293 HydrophobicContact CZ2-CG2 4.18Å; W177-F296 AromaticContact CE3-CD1 3.79Å; W177-F296 HydrophobicContact CE3-CD1 3.79Å; W177-F296 AromaticContact CE3-CE1 3.63Å; W177-F296 HydrophobicContact CE3-CE1 3.63Å; W177-F296 HydrophobicContact CH2-CD1 4.15Å; W177-F296 AromaticContact CZ3-CD1 3.35Å; W177-F296 HydrophobicContact CZ3-CD1 3.35Å; W177-F296 AromaticContact CZ3-CE1 3.4Å; W177-F296 HydrophobicContact CZ3-CE1 3.4Å; W177-F296 VanDerWaalsContact CZ3-CE1 3.4Å; W177-F296 HydrophobicContact CZ3-CG 4.18Å; W177-F296 HydrophobicContact CZ3-CZ 4.24Å; W177-L297 HydrophobicContact CB-CD2 4.02Å; W177-L297 HydrophobicContact CD2-CD1 4.42Å; W177-L297 HydrophobicContact CD2-CD2 3.89Å; W177-L297 HydrophobicContact CD2-CG 4.37Å; W177-L297 HydrophobicContact CE3-CD2 4.08Å; W177-L297 HydrophobicContact CG-CD1 4.44Å; W177-L297 HydrophobicContact CG-CD2 3.86Å; W177-V304 HydrophobicContact CB-CG1 4.03Å; W177-L306 PolarHBondContact N-O 2.95Å; W177-Y307 HydrophobicContact CB-CD2 4.36Å; W177-Y307 AromaticContact CD1-CD2 3.22Å; W177-Y307 AromaticContact CD1-CE2 3.22Å; W177-Y307 AromaticContact CG-CD2 4Å; W177-Y307 HydrophobicContact CG-CD2 4Å; W177-Y307 HydrophobicContact CG-CE2 4.26Å; W177-Y307 AromaticContact NE1-CD2 3.91Å; W177-Y307 AromaticContact NE1-CE2 3.4Å; W177-L308 PolarHBondContact O-N 3.37Å
178	I	98.9	Very high	91.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.8	175.1	-51.4	175.2	0	0	0	107.8	I176 F196 I219 Y220 V221 L222 L308 I310 L412	I176-I178 HydrophobicContact CG2-CD1 4.38Å; I176-I178 HydrophobicContact CG2-CG1 3.98Å; I178-F196 HydrophobicContact CD1-CD1 4.03Å; I178-F196 HydrophobicContact CD1-CE1 3.62Å; I178-F196 HydrophobicContact CD1-CE2 4.34Å; I178-F196 HydrophobicContact CD1-CZ 3.79Å; I178-I219 HydrophobicContact CD1-CG2 3.72Å; I178-I219 HydrophobicContact CG1-CG2 4.26Å; I178-Y220 PolarHBondContact N-O 2.72Å; I178-V221 HydrophobicContact CB-CG2 4.48Å; I178-V221 HydrophobicContact CD1-CG2 4.41Å; I178-V221 CarbonylContact O-C 3.39Å; I178-V221 VanDerWaalsContact O-CA 3.31Å; I178-V221 WeakPolarHBondContact O-CA 3.39Å; I178-L222 PolarHBondContact O-N 3.08Å; I178-L308 VanDerWaalsContact CA-O 3.31Å; I178-L308 WeakPolarHBondContact CA-O 3.19Å; I178-L308 HydrophobicContact CD1-CD1 4.5Å; I178-L308 HydrophobicContact CG1-CB 4.33Å; I178-L308 HydrophobicContact CG1-CD1 4.15Å; I178-I310 HydrophobicContact CG2-CD1 4.49Å; I178-I310 HydrophobicContact CG2-CG1 3.97Å; I178-L412 HydrophobicContact CD1-CD1 3.85Å
179	D	98.9	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.8	169	61	75.1	0	0	0	112.2	W177 L222 Y307 L308 S309 I310	W177-D179 HydrophobicContact CZ2-CB 4.14Å; W177-D179 PolarHBondContact NE1-OD2 3.44Å; D179-L222 HydrophobicContact CB-CB 4.09Å; D179-L222 HydrophobicContact CB-CD2 4.34Å; D179-Y307 VanDerWaalsContact OD2-CE2 3.29Å; D179-Y307 WeakPolarHBondContact OD2-CE2 3.32Å; D179-Y307 PolarHBondContact OD2-OH 3.2Å; D179-L308 PolarHBondContact N-O 3.44Å; D179-S309 WeakPolarHBondContact OD1-CB 3.23Å; D179-S309 PolarHBondContact OD1-OG 3.11Å; D179-I310 PolarHBondContact O-N 3.1Å
180	C	98.9	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.5	179.7	-67	0	0	0	0	110.2	I182 S189 C193 L222 P223 V224 M225	C180-I182 PolarHBondContact O-N 2.97Å; C180-S189 WeakPolarHBondContact CA-OG 3.25Å; C180-S189 WeakPolarHBondContact CB-O 3.31Å; C180-S189 WeakPolarHBondContact CB-OG 3.42Å; C180-S189 PolarHBondContact SG-O 3.16Å; C180-C193 HydrophobicContact CB-CB 3.75Å; C180-C193 WeakPolarHBondContact CB-SG 3.33Å; C180-C193 WeakPolarHBondContact SG-CB 3.26Å; C180-C193 CovalentContact SG-SG 2.03Å; C180-C193 PolarHBondContact SG-SG 3.38Å; C180-L222 PolarHBondContact N-O 2.92Å; C180-P223 CarbonylContact C-O 3.51Å; C180-P223 VanDerWaalsContact CB-O 3.26Å; C180-P223 WeakPolarHBondContact CB-O 3.46Å; C180-V224 WeakPolarHBondContact O-CA 3.39Å; C180-M225 PolarHBondContact O-N 3.21Å
181	G	98.9	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.			trans	63.7	35.7	171.8	0	0	0	0	0	114.3	S189 N226	G181-S189 PolarHBondContact N-OG 3.06Å; G181-N226 VanDerWaalsContact O-CB 3.23Å; G181-N226 WeakPolarHBondContact O-CB 3.15Å; G181-N226 PolarHBondContact O-N 3.4Å
182	I	98.9	Very high	96.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.077	C	C	.	.	S	Bend	trans	-68.5	-37.5	170.2	-173.5	172.5	0	0	0	111.1	C180 M225 N226 L257 N258 F261 H311	C180-I182 PolarHBondContact O-N 2.97Å; I182-M225 HydrophobicContact CB-CB 4.31Å; I182-M225 HydrophobicContact CB-SD 3.93Å; I182-M225 HydrophobicContact CD1-CE 3.91Å; I182-M225 HydrophobicContact CD1-SD 3.65Å; I182-M225 HydrophobicContact CG1-CE 4.16Å; I182-M225 HydrophobicContact CG1-CG 4.48Å; I182-M225 HydrophobicContact CG1-SD 3.69Å; I182-N226 VanDerWaalsContact O-CB 3.26Å; I182-N226 WeakPolarHBondContact O-CB 3.24Å; I182-N226 PolarHBondContact O-ND2 3.38Å; I182-L257 HydrophobicContact CD1-CB 3.96Å; I182-L257 HydrophobicContact CG1-CB 3.53Å; I182-L257 HydrophobicContact CG1-CD1 4.2Å; I182-N258 HydrophobicContact CD1-CB 3.84Å; I182-F261 HydrophobicContact CD1-CE2 4.23Å; I182-H311 WeakPolarHBondContact CG2-CE1 3.42Å
183	H	98.9	Very high	98	Very high	5 Å²	5	8 Å²	8	2%	0.023	3%	0.034	C	C	.	.	S	Bend	trans	-98.4	130.3	166.1	-51.9	135.8	0	0	0	110.5	R185 E186 R241 D256 N258 H311	H183-R185 PolarHBondContact O-N 3.2Å; H183-E186 HydrophobicContact CB-CG 4.05Å; H183-E186 VanDerWaalsContact CB-OE1 3.27Å; H183-E186 WeakPolarHBondContact CB-OE1 3.48Å; H183-E186 IonicContact CE1-OE1 3.69Å; H183-E186 IonicContact CG-OE1 3.3Å; H183-E186 VanDerWaalsContact CG-OE1 3.31Å; H183-E186 IonicContact CG-OE2 3.54Å; H183-E186 VanDerWaalsContact ND1-CD 3.31Å; H183-E186 IonicContact ND1-OE1 2.77Å; H183-E186 PolarHBondContact ND1-OE1 3.08Å; H183-E186 IonicContact ND1-OE2 3.37Å; H183-E186 PolarHBondContact ND1-OE2 3.21Å; H183-E186 PolarHBondContact O-N 3.42Å; H183-R241 WeakPolarHBondContact CA-O 3.21Å; H183-R241 HydrophobicContact CB-CG 4.07Å; H183-R241 VanDerWaalsContact CD2-CZ 3.44Å; H183-R241 PolarHBondContact CD2-NH2 3Å; H183-R241 VanDerWaalsContact CE1-CZ 3.41Å; H183-R241 PolarHBondContact CE1-NH1 2.84Å; H183-R241 PolarHBondContact CE1-NH2 3.48Å; H183-R241 VanDerWaalsContact CG-NH1 3.29Å; H183-R241 PolarHBondContact ND1-NH1 3.07Å; H183-R241 VanDerWaalsContact NE2-CZ 3.26Å; H183-R241 PolarHBondContact NE2-NH1 2.83Å; H183-R241 PolarHBondContact NE2-NH2 2.84Å; H183-D256 IonicContact CD2-OD1 2.65Å; H183-D256 IonicContact NE2-OD1 2.95Å; H183-D256 PolarHBondContact NE2-OD1 2.87Å; H183-N258 VanDerWaalsContact NE2-CB 3.34Å; H183-N258 WeakPolarHBondContact NE2-CB 3.31Å; H183-H311 AromaticContact CE1-CE1 3.18Å; H183-H311 PolarHBondContact CE1-CE1 2.84Å; H183-H311 AromaticContact CE1-ND1 3.21Å; H183-H311 PolarHBondContact CE1-ND1 3.15Å; H183-H311 AromaticContact ND1-CE1 3.54Å; H183-H311 AromaticContact ND1-ND1 3.14Å; H183-H311 PolarHBondContact ND1-ND1 3.24Å; H183-H311 VanDerWaalsContact ND1-ND1 3.14Å; H183-H311 AromaticContact NE2-CE1 3.91Å
184	A	98.9	Very high	98.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-37.6	-166.8	0	0	0	0	0	114.9	E186 W187 G229 T233 W240 R241	A184-E186 VanDerWaalsContact C-N 3.3Å; A184-E186 PolarHBondContact O-N 3.02Å; A184-W187 VanDerWaalsContact O-CD1 3.24Å; A184-W187 PolarHBondContact O-NE1 3.4Å; A184-G229 WeakPolarHBondContact CB-O 3.31Å; A184-T233 HydrophobicContact CB-CG2 3.62Å; A184-W240 WeakPolarHBondContact CB-O 3.32Å; A184-R241 PolarHBondContact N-O 3.42Å
185	R	98.8	Very high	98.8	Very high	2 Å²	2	3 Å²	3	1%	0.008	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-10	-176.9	64.4	-164.7	-172.8	-174.7	5.4	115.2	L54 H183 W187 R238 M239 W240 F394	L54-R185 PolarHBondContact O-NH2 3.29Å; H183-R185 PolarHBondContact O-N 3.2Å; R185-W187 VanDerWaalsContact C-N 3.26Å; R185-W187 PolarHBondContact O-N 3.45Å; R185-R238 WeakPolarHBondContact CB-O 2.88Å; R185-R238 PolarHBondContact O-NH1 3.34Å; R185-M239 WeakPolarHBondContact CD-O 3.3Å; R185-M239 PolarHBondContact NH1-O 3.11Å; R185-M239 VanDerWaalsContact NH1-O 3.13Å; R185-W240 VanDerWaalsContact CB-O 3.29Å; R185-W240 WeakPolarHBondContact CB-O 3.3Å; R185-W240 PolarHBondContact N-O 3.23Å; R185-F394 HydrophobicContact CG-CD1 4.06Å; R185-F394 HydrophobicContact CG-CD2 4.15Å; R185-F394 HydrophobicContact CG-CE1 4.31Å; R185-F394 HydrophobicContact CG-CE2 4.4Å; R185-F394 HydrophobicContact CG-CG 4Å; R185-F394 VanDerWaalsContact CZ-CE2 3.46Å
186	E	98.9	Very high	98.8	Very high	4 Å²	4	3 Å²	3	2%	0.019	1%	0.014	C	C	.	.			trans	-86.4	59.6	-173.1	-65	173.9	-159.4	0	0	111	H183 A184 I188 S189 P190 R241 H311 S312 F394	H183-E186 HydrophobicContact CB-CG 4.05Å; H183-E186 VanDerWaalsContact CB-OE1 3.27Å; H183-E186 WeakPolarHBondContact CB-OE1 3.48Å; H183-E186 IonicContact CE1-OE1 3.69Å; H183-E186 IonicContact CG-OE1 3.3Å; H183-E186 VanDerWaalsContact CG-OE1 3.31Å; H183-E186 IonicContact CG-OE2 3.54Å; H183-E186 VanDerWaalsContact ND1-CD 3.31Å; H183-E186 IonicContact ND1-OE1 2.77Å; H183-E186 PolarHBondContact ND1-OE1 3.08Å; H183-E186 IonicContact ND1-OE2 3.37Å; H183-E186 PolarHBondContact ND1-OE2 3.21Å; H183-E186 PolarHBondContact O-N 3.42Å; A184-E186 VanDerWaalsContact C-N 3.3Å; A184-E186 PolarHBondContact O-N 3.02Å; E186-I188 PolarHBondContact O-N 3.35Å; E186-I188 VanDerWaalsContact O-N 3.07Å; E186-S189 WeakPolarHBondContact O-CB 3.43Å; E186-S189 PolarHBondContact O-N 3.45Å; E186-P190 WeakPolarHBondContact O-CD 3.25Å; E186-R241 IonicContact OE1-NH1 3.57Å; E186-H311 VanDerWaalsContact OE2-CA 3.23Å; E186-H311 WeakPolarHBondContact OE2-CA 3.02Å; E186-H311 VanDerWaalsContact OE2-CB 3.3Å; E186-H311 WeakPolarHBondContact OE2-CB 3.42Å; E186-H311 IonicContact OE2-CG 3.08Å; E186-H311 IonicContact OE2-ND1 3.95Å; E186-H311 PolarHBondContact OE2-ND1 3.4Å; E186-H311 VanDerWaalsContact OE2-ND1 3.14Å; E186-S312 WeakPolarHBondContact CG-O 3.06Å; E186-S312 VanDerWaalsContact OE1-O 3.09Å; E186-S312 PolarHBondContact OE2-N 2.95Å; E186-F394 HydrophobicContact CG-CD1 3.85Å; E186-F394 HydrophobicContact CG-CE1 3.8Å
187	W	98.8	Very high	98.8	Very high	1 Å²	1	2.9 Å²	2.9	0%	0.004	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.4	-167.6	-72.5	5.6	0	0	0	115.4	Q106 T107 Y124 A184 R185 S189 P190 A191 Y230 T233 W234 R238	Q106-W187 HydrophobicContact CB-CE3 3.98Å; Q106-W187 HydrophobicContact CB-CZ3 3.63Å; T107-W187 HydrophobicContact CG2-CH2 3.56Å; T107-W187 HydrophobicContact CG2-CZ3 3.81Å; Y124-W187 HydrophobicContact CD1-CB 3.58Å; Y124-W187 HydrophobicContact CD1-CE3 4.41Å; Y124-W187 HydrophobicContact CD2-CE3 4.1Å; Y124-W187 VanDerWaalsContact CE1-C 3.45Å; Y124-W187 HydrophobicContact CE1-CB 3.64Å; Y124-W187 WeakPolarHBondContact CE1-O 3.44Å; Y124-W187 HydrophobicContact CG-CB 4.22Å; Y124-W187 AromaticContact CG-CE3 3.87Å; Y124-W187 HydrophobicContact CG-CE3 3.87Å; A184-W187 VanDerWaalsContact O-CD1 3.24Å; A184-W187 PolarHBondContact O-NE1 3.4Å; R185-W187 VanDerWaalsContact C-N 3.26Å; R185-W187 PolarHBondContact O-N 3.45Å; W187-S189 PolarHBondContact O-N 3.38Å; W187-P190 WeakPolarHBondContact O-CD 3.4Å; W187-A191 PolarHBondContact O-N 2.88Å; W187-Y230 AromaticContact CD1-CD2 3.96Å; W187-Y230 AromaticContact CD1-CE2 3.48Å; W187-Y230 VanDerWaalsContact CD1-CE2 3.48Å; W187-Y230 HydrophobicContact CG-CE2 4.06Å; W187-Y230 AromaticContact NE1-CE2 3.74Å; W187-T233 PolarHBondContact NE1-OG1 3.08Å; W187-W234 AromaticContact CE2-CD1 3.79Å; W187-W234 AromaticContact CE2-NE1 3.47Å; W187-W234 HydrophobicContact CE3-CZ2 4.25Å; W187-W234 AromaticContact CH2-CD1 3.98Å; W187-W234 AromaticContact CH2-CD2 3.85Å; W187-W234 HydrophobicContact CH2-CD2 3.85Å; W187-W234 AromaticContact CH2-CE2 3.64Å; W187-W234 HydrophobicContact CH2-CE3 4.45Å; W187-W234 HydrophobicContact CH2-CG 4.06Å; W187-W234 HydrophobicContact CH2-CZ2 4.06Å; W187-W234 AromaticContact CH2-NE1 3.74Å; W187-W234 AromaticContact CZ2-CD1 3.35Å; W187-W234 HydrophobicContact CZ2-CD2 4.03Å; W187-W234 AromaticContact CZ2-CE2 3.75Å; W187-W234 AromaticContact CZ2-CG 3.79Å; W187-W234 HydrophobicContact CZ2-CG 3.79Å; W187-W234 HydrophobicContact CZ2-CZ2 4.49Å; W187-W234 AromaticContact CZ2-NE1 3.32Å; W187-W234 VanDerWaalsContact CZ2-NE1 3.32Å; W187-W234 AromaticContact CZ3-CE2 3.96Å; W187-W234 HydrophobicContact CZ3-CH2 4.45Å; W187-W234 AromaticContact CZ3-CZ2 3.92Å; W187-W234 HydrophobicContact CZ3-CZ2 3.92Å; W187-W234 AromaticContact NE1-NE1 3.93Å; W187-R238 VanDerWaalsContact CD2-CZ 3.46Å; W187-R238 VanDerWaalsContact CD2-NH2 3.35Å
188	I	98.9	Very high	98.8	Very high	3 Å²	3	3.5 Å²	3.5	2%	0.015	2%	0.017	C	C	.	.	H	α-helix	trans	-66.1	-24.8	174.8	-170	58.1	0	0	0	112.6	Y124 E186 A191 F192 S312 L386 L396 I401 A404	Y124-I188 HydrophobicContact CE1-CB 4.48Å; E186-I188 PolarHBondContact O-N 3.35Å; E186-I188 VanDerWaalsContact O-N 3.07Å; I188-A191 HydrophobicContact CD1-CB 4.37Å; I188-F192 WeakPolarHBondContact O-CB 3.36Å; I188-F192 PolarHBondContact O-N 2.99Å; I188-S312 WeakPolarHBondContact CG2-OG 3.33Å; I188-L386 HydrophobicContact CG1-CD1 4.24Å; I188-L386 HydrophobicContact CG2-CB 4.16Å; I188-L386 HydrophobicContact CG2-CD1 4.46Å; I188-L396 HydrophobicContact CB-CD2 4.25Å; I188-L396 HydrophobicContact CD1-CD2 4.03Å; I188-L396 HydrophobicContact CG1-CD2 3.89Å; I188-I401 HydrophobicContact CD1-CB 4.29Å; I188-I401 HydrophobicContact CD1-CG1 4.06Å; I188-I401 HydrophobicContact CD1-CG2 4.15Å; I188-A404 HydrophobicContact CD1-CB 3.91Å; I188-A404 HydrophobicContact CG1-CB 4.03Å
189	S	98.9	Very high	98.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-66.8	-57.3	176.7	163.7	0	0	0	0	111.8	C180 G181 E186 W187 A191 F192 C193 I310	C180-S189 WeakPolarHBondContact CA-OG 3.25Å; C180-S189 WeakPolarHBondContact CB-O 3.31Å; C180-S189 WeakPolarHBondContact CB-OG 3.42Å; C180-S189 PolarHBondContact SG-O 3.16Å; G181-S189 PolarHBondContact N-OG 3.06Å; E186-S189 WeakPolarHBondContact O-CB 3.43Å; E186-S189 PolarHBondContact O-N 3.45Å; W187-S189 PolarHBondContact O-N 3.38Å; S189-A191 VanDerWaalsContact C-N 3.29Å; S189-A191 PolarHBondContact O-N 2.99Å; S189-F192 WeakPolarHBondContact O-CB 3.44Å; S189-F192 PolarHBondContact O-N 3.02Å; S189-F192 VanDerWaalsContact O-N 3.09Å; S189-C193 PolarHBondContact O-N 2.74Å; S189-C193 VanDerWaalsContact O-N 3.09Å; S189-I310 VanDerWaalsContact CB-O 3.3Å; S189-I310 WeakPolarHBondContact CB-O 3.28Å; S189-I310 PolarHBondContact OG-O 2.73Å
190	P	98.9	Very high	98.7	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.006	3%	0.025	C	C	.	.	H	α-helix	trans	-55.6	-40.5	171.6	-30	37.3	0	0	0	113.9	I130 E186 W187 F192 C193 L194 P223 V224 Y230	I130-P190 HydrophobicContact CD1-CB 4.41Å; E186-P190 WeakPolarHBondContact O-CD 3.25Å; W187-P190 WeakPolarHBondContact O-CD 3.4Å; P190-F192 VanDerWaalsContact C-N 3.3Å; P190-F192 PolarHBondContact O-N 3.01Å; P190-C193 PolarHBondContact O-N 2.93Å; P190-L194 WeakPolarHBondContact O-CD1 3Å; P190-L194 PolarHBondContact O-N 3.48Å; P190-L194 VanDerWaalsContact O-N 3.09Å; P190-P223 WeakPolarHBondContact CA-O 3.07Å; P190-V224 HydrophobicContact CB-CG2 4.14Å; P190-V224 HydrophobicContact CG-CG2 4.32Å; P190-Y230 HydrophobicContact CB-CE2 4.33Å; P190-Y230 HydrophobicContact CG-CD2 4.23Å; P190-Y230 HydrophobicContact CG-CE2 3.89Å
191	A	98.8	Very high	98.6	Very high	9 Å²	9	6 Å²	6	7%	0.074	3%	0.027	C	C	.	.	H	α-helix	trans	-60.2	-40.1	176.5	0	0	0	0	0	112	Y124 W187 I188 S189 L194 W195 I401	Y124-A191 HydrophobicContact CD1-CB 4.08Å; Y124-A191 HydrophobicContact CE1-CB 4.08Å; W187-A191 PolarHBondContact O-N 2.88Å; I188-A191 HydrophobicContact CD1-CB 4.37Å; S189-A191 VanDerWaalsContact C-N 3.29Å; S189-A191 PolarHBondContact O-N 2.99Å; A191-L194 PolarHBondContact O-N 3.03Å; A191-W195 WeakPolarHBondContact O-CB 3.39Å; A191-W195 PolarHBondContact O-N 2.93Å; A191-I401 HydrophobicContact CB-CG2 4.26Å
192	F	98.9	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62.7	-44.4	173.4	170.3	-102.1	0	0	0	112.5	I188 S189 P190 L194 W195 F196 I310 L386 C405 A408 L409 L412	I188-F192 WeakPolarHBondContact O-CB 3.36Å; I188-F192 PolarHBondContact O-N 2.99Å; S189-F192 WeakPolarHBondContact O-CB 3.44Å; S189-F192 PolarHBondContact O-N 3.02Å; S189-F192 VanDerWaalsContact O-N 3.09Å; P190-F192 VanDerWaalsContact C-N 3.3Å; P190-F192 PolarHBondContact O-N 3.01Å; F192-L194 VanDerWaalsContact C-N 3.32Å; F192-L194 PolarHBondContact O-N 3.47Å; F192-W195 WeakPolarHBondContact O-CB 2.97Å; F192-W195 PolarHBondContact O-N 2.57Å; F192-F196 HydrophobicContact CE1-CB 4.48Å; F192-F196 HydrophobicContact CE2-CB 4.48Å; F192-F196 HydrophobicContact CZ-CB 4.29Å; F192-F196 HydrophobicContact CZ-CD2 4.47Å; F192-F196 WeakPolarHBondContact O-CB 3.13Å; F192-F196 PolarHBondContact O-N 2.83Å; F192-I310 HydrophobicContact CD1-CB 4.37Å; F192-I310 HydrophobicContact CD1-CD1 4.36Å; F192-I310 HydrophobicContact CD1-CG1 3.91Å; F192-I310 HydrophobicContact CD1-CG2 3.81Å; F192-I310 HydrophobicContact CE1-CD1 3.96Å; F192-I310 HydrophobicContact CE1-CG1 3.9Å; F192-I310 HydrophobicContact CE1-CG2 4.45Å; F192-I310 HydrophobicContact CG-CG2 4.44Å; F192-L386 HydrophobicContact CB-CD1 3.93Å; F192-L386 HydrophobicContact CG-CD1 4.24Å; F192-C405 HydrophobicContact CD2-CB 4.31Å; F192-A408 HydrophobicContact CD2-CB 3.68Å; F192-A408 HydrophobicContact CE2-CB 3.52Å; F192-A408 HydrophobicContact CG-CB 4.43Å; F192-A408 HydrophobicContact CZ-CB 4.15Å; F192-L409 HydrophobicContact CE2-CB 4.3Å; F192-L412 HydrophobicContact CE1-CD1 4Å; F192-L412 HydrophobicContact CZ-CD1 3.73Å
193	C	98.9	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.9	-42.1	177.1	-92.7	0	0	0	0	112.1	C180 S189 P190 F196 V197 V221 P223	C180-C193 HydrophobicContact CB-CB 3.75Å; C180-C193 WeakPolarHBondContact CB-SG 3.33Å; C180-C193 WeakPolarHBondContact SG-CB 3.26Å; C180-C193 CovalentContact SG-SG 2.03Å; C180-C193 PolarHBondContact SG-SG 3.38Å; S189-C193 PolarHBondContact O-N 2.74Å; S189-C193 VanDerWaalsContact O-N 3.09Å; P190-C193 PolarHBondContact O-N 2.93Å; C193-F196 PolarHBondContact O-N 3.07Å; C193-V197 WeakPolarHBondContact O-CG2 3.44Å; C193-V197 PolarHBondContact O-N 2.79Å; C193-V197 VanDerWaalsContact O-N 3.08Å; C193-V221 HydrophobicContact CB-CG1 3.91Å; C193-V221 VanDerWaalsContact SG-CG1 3.56Å; C193-P223 HydrophobicContact CB-CB 4.15Å
194	L	98.6	Very high	98.3	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-46.8	174.2	-92.5	64.5	0	0	0	111.5	Y121 I130 W133 P190 A191 F192 V197 Q198 P223	Y121-L194 HydrophobicContact CD1-CB 4.28Å; Y121-L194 HydrophobicContact CE1-CB 4.3Å; I130-L194 HydrophobicContact CG1-CD1 4.36Å; I130-L194 HydrophobicContact CG1-CD2 4.1Å; I130-L194 HydrophobicContact CG2-CD1 4.18Å; W133-L194 HydrophobicContact CD2-CD2 4.25Å; W133-L194 HydrophobicContact CD2-CG 3.94Å; W133-L194 HydrophobicContact CE3-CD1 4.12Å; W133-L194 HydrophobicContact CE3-CD2 4.44Å; W133-L194 HydrophobicContact CE3-CG 3.87Å; W133-L194 HydrophobicContact CG-CD2 4.47Å; W133-L194 HydrophobicContact CH2-CB 4.46Å; W133-L194 HydrophobicContact CH2-CD1 4.36Å; W133-L194 HydrophobicContact CH2-CG 3.98Å; W133-L194 HydrophobicContact CZ2-CB 4.33Å; W133-L194 HydrophobicContact CZ2-CG 4.04Å; W133-L194 HydrophobicContact CZ3-CD1 3.96Å; W133-L194 HydrophobicContact CZ3-CG 3.9Å; P190-L194 WeakPolarHBondContact O-CD1 3Å; P190-L194 PolarHBondContact O-N 3.48Å; P190-L194 VanDerWaalsContact O-N 3.09Å; A191-L194 PolarHBondContact O-N 3.03Å; F192-L194 VanDerWaalsContact C-N 3.32Å; F192-L194 PolarHBondContact O-N 3.47Å; L194-V197 PolarHBondContact O-N 2.84Å; L194-Q198 PolarHBondContact O-N 3.27Å; L194-P223 HydrophobicContact CD1-CB 3.88Å
195	W	98.4	Very high	98.2	Very high	31 Å²	31	18.3 Å²	18.3	12%	0.117	9%	0.089	C	C	.	.	H	α-helix	trans	-58.4	-48.1	176.8	-174.5	-77.9	0	0	0	111.6	E122 A191 F192 V197 Q198 Y199 S402 C405 N406	E122-W195 HydrophobicContact CG-CZ3 3.99Å; A191-W195 WeakPolarHBondContact O-CB 3.39Å; A191-W195 PolarHBondContact O-N 2.93Å; F192-W195 WeakPolarHBondContact O-CB 2.97Å; F192-W195 PolarHBondContact O-N 2.57Å; W195-V197 PolarHBondContact O-N 2.91Å; W195-Q198 PolarHBondContact O-N 3.2Å; W195-Y199 WeakPolarHBondContact O-CB 3.42Å; W195-Y199 PolarHBondContact O-N 3.13Å; W195-S402 VanDerWaalsContact CH2-OG 3.28Å; W195-S402 WeakPolarHBondContact CH2-OG 3.34Å; W195-C405 HydrophobicContact CB-CB 3.93Å; W195-C405 HydrophobicContact CD2-CB 3.59Å; W195-C405 HydrophobicContact CE3-CB 4.12Å; W195-C405 HydrophobicContact CG-CB 3.46Å; W195-C405 VanDerWaalsContact CG-CB 3.46Å; W195-N406 WeakPolarHBondContact CZ2-ND2 3.5Å
196	F	98.8	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.9	-46	-179.5	173.5	-93.8	0	0	0	111.7	L164 I178 F192 C193 S200 M213 I219 V221 L409 L412	L164-F196 HydrophobicContact CD1-CE1 4.14Å; I178-F196 HydrophobicContact CD1-CD1 4.03Å; I178-F196 HydrophobicContact CD1-CE1 3.62Å; I178-F196 HydrophobicContact CD1-CE2 4.34Å; I178-F196 HydrophobicContact CD1-CZ 3.79Å; F192-F196 HydrophobicContact CE1-CB 4.48Å; F192-F196 HydrophobicContact CE2-CB 4.48Å; F192-F196 HydrophobicContact CZ-CB 4.29Å; F192-F196 HydrophobicContact CZ-CD2 4.47Å; F192-F196 WeakPolarHBondContact O-CB 3.13Å; F192-F196 PolarHBondContact O-N 2.83Å; C193-F196 PolarHBondContact O-N 3.07Å; F196-S200 WeakPolarHBondContact O-CB 3.43Å; F196-S200 PolarHBondContact O-N 2.83Å; F196-S200 PolarHBondContact O-OG 2.54Å; F196-M213 HydrophobicContact CE2-CE 4.26Å; F196-M213 HydrophobicContact CZ-CE 4.23Å; F196-I219 HydrophobicContact CE1-CD1 4.41Å; F196-I219 HydrophobicContact CE1-CG2 3.84Å; F196-I219 HydrophobicContact CZ-CD1 3.93Å; F196-I219 HydrophobicContact CZ-CG2 4.15Å; F196-V221 HydrophobicContact CD1-CG2 4.05Å; F196-V221 HydrophobicContact CE1-CG2 4.03Å; F196-L409 HydrophobicContact CD2-CD1 3.66Å; F196-L409 HydrophobicContact CE2-CD1 4.1Å; F196-L412 HydrophobicContact CD2-CD1 4.34Å; F196-L412 HydrophobicContact CD2-CD2 4.36Å; F196-L412 HydrophobicContact CE2-CD1 4.32Å; F196-L412 HydrophobicContact CE2-CD2 3.7Å; F196-L412 HydrophobicContact CZ-CD2 4.39Å
197	V	98.7	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62	-51.9	177.9	169.7	0	0	0	0	110.3	W133 T137 L162 L164 C193 L194 W195 Y199 S200 L201 V221	W133-V197 HydrophobicContact CH2-CB 3.64Å; W133-V197 HydrophobicContact CH2-CG1 3.62Å; W133-V197 HydrophobicContact CH2-CG2 3.99Å; W133-V197 HydrophobicContact CZ2-CB 3.96Å; W133-V197 HydrophobicContact CZ2-CG1 3.82Å; T137-V197 HydrophobicContact CG2-CG1 4.03Å; L162-V197 HydrophobicContact CD2-CG1 4.27Å; L164-V197 HydrophobicContact CD1-CG1 4.49Å; L164-V197 HydrophobicContact CD1-CG2 4.17Å; L164-V197 HydrophobicContact CD2-CG1 4.06Å; C193-V197 WeakPolarHBondContact O-CG2 3.44Å; C193-V197 PolarHBondContact O-N 2.79Å; C193-V197 VanDerWaalsContact O-N 3.08Å; L194-V197 PolarHBondContact O-N 2.84Å; W195-V197 PolarHBondContact O-N 2.91Å; V197-Y199 VanDerWaalsContact C-N 3.34Å; V197-Y199 PolarHBondContact O-N 3.31Å; V197-S200 PolarHBondContact O-N 2.88Å; V197-L201 HydrophobicContact CG1-CD1 3.85Å; V197-L201 HydrophobicContact CG1-CG 4.49Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.41Å; V197-L201 PolarHBondContact O-N 3.19Å; V197-V221 HydrophobicContact CG2-CB 4.08Å; V197-V221 HydrophobicContact CG2-CG1 3.96Å; V197-V221 HydrophobicContact CG2-CG2 4.02Å
198	Q	97.3	Very high	98	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-40	-178.3	-173.8	68.1	36.3	0	0	112	Y121 L194 W195 L201 N202	Y121-Q198 HydrophobicContact CD1-CB 4.09Å; Y121-Q198 HydrophobicContact CD2-CG 4.17Å; Y121-Q198 HydrophobicContact CE1-CB 3.45Å; Y121-Q198 VanDerWaalsContact CE1-CB 3.45Å; Y121-Q198 HydrophobicContact CE1-CG 3.97Å; Y121-Q198 HydrophobicContact CE2-CB 3.96Å; Y121-Q198 HydrophobicContact CE2-CG 3.47Å; Y121-Q198 VanDerWaalsContact CE2-CG 3.47Å; Y121-Q198 VanDerWaalsContact OH-CD 3.26Å; Y121-Q198 WeakPolarHBondContact OH-CG 3.29Å; Y121-Q198 PolarHBondContact OH-OE1 3.04Å; L194-Q198 PolarHBondContact O-N 3.27Å; W195-Q198 PolarHBondContact O-N 3.2Å; Q198-L201 PolarHBondContact O-N 2.77Å; Q198-N202 PolarHBondContact NE2-ND2 3.19Å; Q198-N202 VanDerWaalsContact NE2-ND2 3.1Å; Q198-N202 PolarHBondContact NE2-OD1 2.93Å; Q198-N202 VanDerWaalsContact O-CB 3.31Å; Q198-N202 WeakPolarHBondContact O-CB 3.31Å; Q198-N202 PolarHBondContact O-N 3.07Å
199	Y	97.6	Very high	98	Very high	42 Å²	42	35.1 Å²	35.1	17%	0.165	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-47.3	175.9	-170.1	-80.7	0	0	0	110.5	W195 V197 L201 N202 F203 I210 L409	W195-Y199 WeakPolarHBondContact O-CB 3.42Å; W195-Y199 PolarHBondContact O-N 3.13Å; V197-Y199 VanDerWaalsContact C-N 3.34Å; V197-Y199 PolarHBondContact O-N 3.31Å; Y199-L201 VanDerWaalsContact C-N 3.31Å; Y199-L201 PolarHBondContact O-N 3.08Å; Y199-N202 PolarHBondContact O-N 2.82Å; Y199-F203 HydrophobicContact CD1-CB 4.33Å; Y199-F203 AromaticContact CD1-CD2 3.9Å; Y199-F203 HydrophobicContact CD1-CD2 3.9Å; Y199-F203 HydrophobicContact CD1-CG 4.41Å; Y199-F203 AromaticContact CD2-CD2 3.61Å; Y199-F203 HydrophobicContact CD2-CD2 3.61Å; Y199-F203 AromaticContact CD2-CE2 3.63Å; Y199-F203 HydrophobicContact CD2-CE2 3.63Å; Y199-F203 HydrophobicContact CE1-CB 4.08Å; Y199-F203 AromaticContact CE1-CD2 3.89Å; Y199-F203 HydrophobicContact CE1-CD2 3.89Å; Y199-F203 HydrophobicContact CE1-CG 4.09Å; Y199-F203 AromaticContact CE2-CD2 3.6Å; Y199-F203 HydrophobicContact CE2-CD2 3.6Å; Y199-F203 AromaticContact CE2-CE2 3.53Å; Y199-F203 HydrophobicContact CE2-CE2 3.53Å; Y199-F203 HydrophobicContact CE2-CG 4.34Å; Y199-F203 HydrophobicContact CE2-CZ 4.22Å; Y199-F203 AromaticContact CG-CD2 3.76Å; Y199-F203 HydrophobicContact CG-CD2 3.76Å; Y199-F203 HydrophobicContact CG-CE2 4.24Å; Y199-F203 AromaticContact CZ-CD2 3.74Å; Y199-F203 WeakPolarHBondContact O-CB 3.37Å; Y199-F203 WeakPolarHBondContact O-CD2 3.31Å; Y199-F203 PolarHBondContact O-N 3.47Å; Y199-I210 HydrophobicContact CD1-CD1 4Å; Y199-I210 HydrophobicContact CD1-CG1 3.92Å; Y199-I210 HydrophobicContact CE1-CD1 4.14Å; Y199-I210 HydrophobicContact CE1-CG1 3.73Å; Y199-L409 HydrophobicContact CD1-CD1 4.48Å; Y199-L409 HydrophobicContact CD1-CD2 3.61Å; Y199-L409 HydrophobicContact CD2-CD2 3.81Å; Y199-L409 HydrophobicContact CE1-CD2 3.68Å; Y199-L409 HydrophobicContact CE2-CD2 3.88Å; Y199-L409 HydrophobicContact CG-CD2 3.68Å
200	S	98.4	Very high	97.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-56.9	-43.1	177.4	-70	0	0	0	0	112.3	F196 V197 Y204 I210	F196-S200 WeakPolarHBondContact O-CB 3.43Å; F196-S200 PolarHBondContact O-N 2.83Å; F196-S200 PolarHBondContact O-OG 2.54Å; V197-S200 PolarHBondContact O-N 2.88Å; S200-Y204 WeakPolarHBondContact O-CB 3.41Å; S200-Y204 PolarHBondContact O-N 3.38Å; S200-Y204 VanDerWaalsContact O-N 3.16Å; S200-I210 WeakPolarHBondContact O-CG2 3.37Å
201	L	97.3	Very high	97.8	Very high	10 Å²	10	36 Å²	36	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-72	-44.6	179.1	-64.9	171	0	0	0	112.7	T137 Y141 M144 V145 V197 Q198 Y199 F203	T137-L201 HydrophobicContact CG2-CD1 3.56Å; Y141-L201 HydrophobicContact CD1-CB 4.22Å; Y141-L201 HydrophobicContact CD1-CD1 4.49Å; Y141-L201 HydrophobicContact CD1-CD2 4.18Å; Y141-L201 HydrophobicContact CD2-CD1 3.76Å; Y141-L201 HydrophobicContact CE1-CB 3.99Å; Y141-L201 HydrophobicContact CE2-CB 4.45Å; Y141-L201 HydrophobicContact CE2-CD1 4.05Å; Y141-L201 HydrophobicContact CG-CD1 3.99Å; Y141-L201 HydrophobicContact CG-CD2 4.14Å; Y141-L201 HydrophobicContact CG-CG 4.45Å; M144-L201 HydrophobicContact CB-CD2 3.96Å; M144-L201 HydrophobicContact CE-CD2 4.12Å; M144-L201 HydrophobicContact SD-CD2 4.31Å; V145-L201 HydrophobicContact CG2-CD1 3.91Å; V145-L201 HydrophobicContact CG2-CD2 3.65Å; V145-L201 HydrophobicContact CG2-CG 4.38Å; V197-L201 HydrophobicContact CG1-CD1 3.85Å; V197-L201 HydrophobicContact CG1-CG 4.49Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.41Å; V197-L201 PolarHBondContact O-N 3.19Å; Q198-L201 PolarHBondContact O-N 2.77Å; Y199-L201 VanDerWaalsContact C-N 3.31Å; Y199-L201 PolarHBondContact O-N 3.08Å; L201-F203 VanDerWaalsContact C-N 3.34Å; L201-F203 PolarHBondContact O-N 3Å
202	N	96	Very high	97.7	Very high	76 Å²	76	39.1 Å²	39.1	41%	0.406	20%	0.197	S	C	.	.	H	α-helix	trans	-69	-33.1	-178.7	-79.5	-8.4	0	0	0	112.9	Y141 Q198 Y199	Y141-N202 PolarHBondContact OH-OD1 3.3Å; Q198-N202 PolarHBondContact NE2-ND2 3.19Å; Q198-N202 VanDerWaalsContact NE2-ND2 3.1Å; Q198-N202 PolarHBondContact NE2-OD1 2.93Å; Q198-N202 VanDerWaalsContact O-CB 3.31Å; Q198-N202 WeakPolarHBondContact O-CB 3.31Å; Q198-N202 PolarHBondContact O-N 3.07Å; Y199-N202 PolarHBondContact O-N 2.82Å
203	F	97.2	Very high	97.6	Very high	79 Å²	79	39.2 Å²	39.2	35%	0.346	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	7.9	-174.3	-68.1	-82.9	0	0	0	113.8	Y199 L201 N205 L206 N207	Y199-F203 HydrophobicContact CD1-CB 4.33Å; Y199-F203 AromaticContact CD1-CD2 3.9Å; Y199-F203 HydrophobicContact CD1-CD2 3.9Å; Y199-F203 HydrophobicContact CD1-CG 4.41Å; Y199-F203 AromaticContact CD2-CD2 3.61Å; Y199-F203 HydrophobicContact CD2-CD2 3.61Å; Y199-F203 AromaticContact CD2-CE2 3.63Å; Y199-F203 HydrophobicContact CD2-CE2 3.63Å; Y199-F203 HydrophobicContact CE1-CB 4.08Å; Y199-F203 AromaticContact CE1-CD2 3.89Å; Y199-F203 HydrophobicContact CE1-CD2 3.89Å; Y199-F203 HydrophobicContact CE1-CG 4.09Å; Y199-F203 AromaticContact CE2-CD2 3.6Å; Y199-F203 HydrophobicContact CE2-CD2 3.6Å; Y199-F203 AromaticContact CE2-CE2 3.53Å; Y199-F203 HydrophobicContact CE2-CE2 3.53Å; Y199-F203 HydrophobicContact CE2-CG 4.34Å; Y199-F203 HydrophobicContact CE2-CZ 4.22Å; Y199-F203 AromaticContact CG-CD2 3.76Å; Y199-F203 HydrophobicContact CG-CD2 3.76Å; Y199-F203 HydrophobicContact CG-CE2 4.24Å; Y199-F203 AromaticContact CZ-CD2 3.74Å; Y199-F203 WeakPolarHBondContact O-CB 3.37Å; Y199-F203 WeakPolarHBondContact O-CD2 3.31Å; Y199-F203 PolarHBondContact O-N 3.47Å; L201-F203 VanDerWaalsContact C-N 3.34Å; L201-F203 PolarHBondContact O-N 3Å; F203-N205 PolarHBondContact O-N 3.32Å; F203-L206 HydrophobicContact CD1-CB 4.29Å; F203-L206 PolarHBondContact O-N 3.5Å; F203-N207 HydrophobicContact CB-CB 3.84Å; F203-N207 PolarHBondContact O-N 2.88Å
204	Y	97.3	Very high	97.5	Very high	15 Å²	15	39.2 Å²	39.2	6%	0.059	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	130.4	167.8	-176.7	-113.2	0	0	0	110.5	M144 G166 R167 S200 L206 T211 L214 N215	M144-Y204 HydrophobicContact CE-CD1 3.52Å; M144-Y204 HydrophobicContact CE-CD2 3.99Å; M144-Y204 HydrophobicContact CE-CE1 4.1Å; M144-Y204 HydrophobicContact CE-CG 3.46Å; M144-Y204 VanDerWaalsContact CE-CG 3.46Å; M144-Y204 HydrophobicContact SD-CD1 3.82Å; M144-Y204 HydrophobicContact SD-CE1 4.36Å; M144-Y204 HydrophobicContact SD-CG 4.31Å; G166-Y204 WeakPolarHBondContact CA-OH 3.27Å; R167-Y204 HydrophobicContact CB-CE1 4.03Å; R167-Y204 HydrophobicContact CG-CE1 3.84Å; R167-Y204 PolarHBondContact N-OH 2.8Å; S200-Y204 WeakPolarHBondContact O-CB 3.41Å; S200-Y204 PolarHBondContact O-N 3.38Å; S200-Y204 VanDerWaalsContact O-N 3.16Å; Y204-L206 PolarHBondContact O-N 2.97Å; Y204-T211 HydrophobicContact CD2-CG2 4.35Å; Y204-T211 HydrophobicContact CE2-CG2 4.07Å; Y204-L214 HydrophobicContact CD2-CB 4.03Å; Y204-L214 HydrophobicContact CD2-CD1 3.66Å; Y204-L214 HydrophobicContact CD2-CG 4.5Å; Y204-L214 HydrophobicContact CE2-CB 3.98Å; Y204-L214 HydrophobicContact CE2-CD1 4.4Å; Y204-L214 HydrophobicContact CG-CD1 4.24Å; Y204-N215 WeakPolarHBondContact CE2-OD1 3.46Å; Y204-N215 PolarHBondContact OH-OD1 3.09Å
205	N	96.3	Very high	97.3	Very high	95 Å²	95	39.7 Å²	39.7	51%	0.508	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	7	-169.1	-60.4	-29.8	0	0	0	116.2	F203 T211	F203-N205 PolarHBondContact O-N 3.32Å; N205-T211 WeakPolarHBondContact CA-OG1 3.47Å; N205-T211 PolarHBondContact N-OG1 3.14Å; N205-T211 WeakPolarHBondContact OD1-CG2 3.44Å
206	L	97.7	Very high	97.1	Very high	133 Å²	133	39 Å²	39	70%	0.696	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-36.9	174.1	-60.3	-179.8	0	0	0	112.2	F203 Y204	F203-L206 HydrophobicContact CD1-CB 4.29Å; F203-L206 PolarHBondContact O-N 3.5Å; Y204-L206 PolarHBondContact O-N 2.97Å
207	N	98	Very high	96.9	Very high	36 Å²	36	39.2 Å²	39.2	19%	0.193	20%	0.2	C	C	.	.	S	Bend	trans	-106.6	120.8	173.2	-175.5	-82.3	0	0	0	109.6	F203 D209 I210 T211	F203-N207 HydrophobicContact CB-CB 3.84Å; F203-N207 PolarHBondContact O-N 2.88Å; N207-D209 VanDerWaalsContact C-N 3.34Å; N207-D209 PolarHBondContact O-N 3.38Å; N207-D209 VanDerWaalsContact OD1-CB 3.31Å; N207-D209 WeakPolarHBondContact OD1-CB 3.5Å; N207-D209 PolarHBondContact OD1-N 3.24Å; N207-D209 VanDerWaalsContact OD1-N 3.15Å; N207-I210 HydrophobicContact CB-CB 4.19Å; N207-I210 HydrophobicContact CB-CG1 4.16Å; N207-I210 PolarHBondContact O-N 3.14Å; N207-I210 PolarHBondContact OD1-N 3.21Å; N207-I210 VanDerWaalsContact OD1-N 3.16Å; N207-T211 WeakPolarHBondContact O-CB 3.37Å; N207-T211 PolarHBondContact O-N 3.18Å; N207-T211 PolarHBondContact O-OG1 3.14Å
208	N	97.6	Very high	96.8	Very high	135 Å²	135	39.9 Å²	39.9	72%	0.722	20%	0.204	S	C	*	.	H	α-helix	trans	-61.3	-40.2	-175.9	-69.1	-15.1	0	0	0	112.5	T211 E212	N208-T211 PolarHBondContact O-N 3.21Å; N208-E212 VanDerWaalsContact O-CB 3.32Å; N208-E212 WeakPolarHBondContact O-CB 3.42Å; N208-E212 PolarHBondContact O-N 3.2Å
209	D	97.6	Very high	96.9	Very high	59 Å²	59	39.4 Å²	39.4	32%	0.316	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-49.7	179.5	-56.4	-19.6	0	0	0	111.1	N207 T211 E212 M213 K413 L417	N207-D209 VanDerWaalsContact C-N 3.34Å; N207-D209 PolarHBondContact O-N 3.38Å; N207-D209 VanDerWaalsContact OD1-CB 3.31Å; N207-D209 WeakPolarHBondContact OD1-CB 3.5Å; N207-D209 PolarHBondContact OD1-N 3.24Å; N207-D209 VanDerWaalsContact OD1-N 3.15Å; D209-T211 VanDerWaalsContact C-N 3.33Å; D209-T211 PolarHBondContact O-N 3.41Å; D209-E212 PolarHBondContact O-N 3.04Å; D209-M213 WeakPolarHBondContact O-CB 3.21Å; D209-M213 VanDerWaalsContact O-CG 3.24Å; D209-M213 WeakPolarHBondContact O-CG 3.33Å; D209-M213 PolarHBondContact O-N 2.58Å; D209-K413 HydrophobicContact CB-CD 3.88Å; D209-K413 IonicContact OD2-NZ 3.22Å; D209-K413 PolarHBondContact OD2-NZ 2.9Å; D209-L417 HydrophobicContact CB-CD1 3.83Å
210	I	98.1	Very high	96.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-42.9	179.1	-67.5	-56.4	0	0	0	111	Y199 S200 N207 M213 L214 K413	Y199-I210 HydrophobicContact CD1-CD1 4Å; Y199-I210 HydrophobicContact CD1-CG1 3.92Å; Y199-I210 HydrophobicContact CE1-CD1 4.14Å; Y199-I210 HydrophobicContact CE1-CG1 3.73Å; S200-I210 WeakPolarHBondContact O-CG2 3.37Å; N207-I210 HydrophobicContact CB-CB 4.19Å; N207-I210 HydrophobicContact CB-CG1 4.16Å; N207-I210 PolarHBondContact O-N 3.14Å; N207-I210 PolarHBondContact OD1-N 3.21Å; N207-I210 VanDerWaalsContact OD1-N 3.16Å; I210-M213 PolarHBondContact O-N 2.91Å; I210-L214 HydrophobicContact CG2-CD1 3.97Å; I210-L214 PolarHBondContact O-N 3.21Å; I210-K413 HydrophobicContact CD1-CD 3.89Å; I210-K413 HydrophobicContact CD1-CG 4.38Å; I210-K413 HydrophobicContact CG1-CD 4.4Å
211	T	97.1	Very high	97	Very high	19 Å²	19	38.2 Å²	38.2	12%	0.117	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-44.7	179.8	-54.7	0	0	0	0	110.8	Y204 N205 N207 N208 D209 N215	Y204-T211 HydrophobicContact CD2-CG2 4.35Å; Y204-T211 HydrophobicContact CE2-CG2 4.07Å; N205-T211 WeakPolarHBondContact CA-OG1 3.47Å; N205-T211 PolarHBondContact N-OG1 3.14Å; N205-T211 WeakPolarHBondContact OD1-CG2 3.44Å; N207-T211 WeakPolarHBondContact O-CB 3.37Å; N207-T211 PolarHBondContact O-N 3.18Å; N207-T211 PolarHBondContact O-OG1 3.14Å; N208-T211 PolarHBondContact O-N 3.21Å; D209-T211 VanDerWaalsContact C-N 3.33Å; D209-T211 PolarHBondContact O-N 3.41Å; T211-N215 VanDerWaalsContact O-CB 3.25Å; T211-N215 WeakPolarHBondContact O-CB 3.46Å; T211-N215 PolarHBondContact O-N 2.93Å; T211-N215 PolarHBondContact O-ND2 3.37Å
212	E	95.8	Very high	97.1	Very high	75 Å²	75	37.7 Å²	37.7	35%	0.35	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-47.3	175	178.6	54.3	-148.6	0	0	111.3	N208 D209 L214 N215 S216 L417	N208-E212 VanDerWaalsContact O-CB 3.32Å; N208-E212 WeakPolarHBondContact O-CB 3.42Å; N208-E212 PolarHBondContact O-N 3.2Å; D209-E212 PolarHBondContact O-N 3.04Å; E212-L214 PolarHBondContact O-N 3.03Å; E212-N215 PolarHBondContact O-N 3.3Å; E212-S216 VanDerWaalsContact O-CB 3.24Å; E212-S216 WeakPolarHBondContact O-CB 3.25Å; E212-S216 PolarHBondContact O-N 3.46Å; E212-S216 PolarHBondContact O-OG 3.25Å; E212-S216 PolarHBondContact OE1-OG 2.69Å; E212-L417 HydrophobicContact CB-CD2 4.2Å; E212-L417 HydrophobicContact CG-CD2 3.99Å
213	M	96.8	Very high	97.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-56.4	-51.1	178.3	-73.4	171.3	60.3	0	0	112.3	I176 F196 D209 I210 S216 M217 I219 L412 K413 A416 L417 I420	I176-M213 HydrophobicContact CD1-CE 4.39Å; F196-M213 HydrophobicContact CE2-CE 4.26Å; F196-M213 HydrophobicContact CZ-CE 4.23Å; D209-M213 WeakPolarHBondContact O-CB 3.21Å; D209-M213 VanDerWaalsContact O-CG 3.24Å; D209-M213 WeakPolarHBondContact O-CG 3.33Å; D209-M213 PolarHBondContact O-N 2.58Å; I210-M213 PolarHBondContact O-N 2.91Å; M213-S216 PolarHBondContact O-N 3.02Å; M213-M217 PolarHBondContact O-N 3.14Å; M213-M217 VanDerWaalsContact O-O 3.13Å; M213-I219 HydrophobicContact CB-CD1 4.31Å; M213-I219 HydrophobicContact CE-CD1 3.97Å; M213-L412 HydrophobicContact CE-CD2 3.78Å; M213-K413 HydrophobicContact SD-CB 4.39Å; M213-K413 HydrophobicContact SD-CG 3.93Å; M213-A416 HydrophobicContact CE-CB 3.76Å; M213-A416 HydrophobicContact CG-CB 4.46Å; M213-A416 HydrophobicContact SD-CB 4.1Å; M213-L417 HydrophobicContact CG-CD2 3.97Å; M213-L417 HydrophobicContact CG-CG 4.46Å; M213-I420 HydrophobicContact CB-CD1 4.25Å; M213-I420 HydrophobicContact CG-CD1 3.83Å
214	L	96.7	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-72.9	-26.6	-177.5	-72.4	174.5	0	0	0	113.8	M144 L164 G166 K173 Y204 I210 E212 I219	M144-L214 HydrophobicContact CE-CD1 3.89Å; L164-L214 HydrophobicContact CB-CD2 3.69Å; G166-L214 WeakPolarHBondContact CA-O 3.34Å; G166-L214 PolarHBondContact N-O 2.03Å; K173-L214 PolarHBondContact NZ-O 2.86Å; Y204-L214 HydrophobicContact CD2-CB 4.03Å; Y204-L214 HydrophobicContact CD2-CD1 3.66Å; Y204-L214 HydrophobicContact CD2-CG 4.5Å; Y204-L214 HydrophobicContact CE2-CB 3.98Å; Y204-L214 HydrophobicContact CE2-CD1 4.4Å; Y204-L214 HydrophobicContact CG-CD1 4.24Å; I210-L214 HydrophobicContact CG2-CD1 3.97Å; I210-L214 PolarHBondContact O-N 3.21Å; E212-L214 PolarHBondContact O-N 3.03Å; L214-I219 HydrophobicContact CD2-CD1 3.91Å; L214-I219 HydrophobicContact CD2-CG1 4.24Å
215	N	94.4	Very high	97.3	Very high	14 Å²	14	30.1 Å²	30.1	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-79.1	-32.6	175.2	-72.7	-14.9	0	0	0	112	K173 Y204 T211 E212	K173-N215 WeakPolarHBondContact CE-O 3.48Å; Y204-N215 WeakPolarHBondContact CE2-OD1 3.46Å; Y204-N215 PolarHBondContact OH-OD1 3.09Å; T211-N215 VanDerWaalsContact O-CB 3.25Å; T211-N215 WeakPolarHBondContact O-CB 3.46Å; T211-N215 PolarHBondContact O-N 2.93Å; T211-N215 PolarHBondContact O-ND2 3.37Å; E212-N215 PolarHBondContact O-N 3.3Å
216	S	93.9	Very high	97.5	Very high	16 Å²	16	25.6 Å²	25.6	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-89.7	-33	-177.3	-75.7	0	0	0	0	113.8	E212 M213	E212-S216 VanDerWaalsContact O-CB 3.24Å; E212-S216 WeakPolarHBondContact O-CB 3.25Å; E212-S216 PolarHBondContact O-N 3.46Å; E212-S216 PolarHBondContact O-OG 3.25Å; E212-S216 PolarHBondContact OE1-OG 2.69Å; M213-S216 PolarHBondContact O-N 3.02Å
217	M	95.4	Very high	97.5	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.02	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.4	-178.6	-67.3	-172.3	177.1	0	0	113	R174 I176 M213 K305 I420 T423	R174-M217 HydrophobicContact CB-CE 4.05Å; R174-M217 HydrophobicContact CB-CG 4.16Å; R174-M217 HydrophobicContact CB-SD 4.45Å; R174-M217 CarbonylContact O-C 3.57Å; R174-M217 WeakPolarHBondContact O-CA 3.47Å; R174-M217 VanDerWaalsContact O-CB 3.31Å; R174-M217 WeakPolarHBondContact O-CB 3.38Å; I176-M217 HydrophobicContact CD1-CB 4.46Å; I176-M217 HydrophobicContact CD1-SD 4.06Å; I176-M217 HydrophobicContact CG1-CB 4.21Å; I176-M217 HydrophobicContact CG1-SD 3.58Å; I176-M217 VanDerWaalsContact CG1-SD 3.58Å; M213-M217 PolarHBondContact O-N 3.14Å; M213-M217 VanDerWaalsContact O-O 3.13Å; M217-K305 HydrophobicContact CE-CB 4.44Å; M217-I420 HydrophobicContact CE-CB 4.44Å; M217-I420 HydrophobicContact CE-CG1 3.78Å; M217-I420 HydrophobicContact CG-CG1 4.13Å; M217-I420 HydrophobicContact SD-CG1 3.78Å; M217-T423 WeakPolarHBondContact CE-OG1 3.36Å
218	D	96.9	Very high	97.6	Very high	15 Å²	15	17.6 Å²	17.6	8%	0.08	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.7	160.7	-70.8	-35.1	0	0	0	109.2	K163 S165 R174 A175 I176 Y220	K163-D218 VanDerWaalsContact CE-OD1 3.29Å; K163-D218 WeakPolarHBondContact CE-OD1 3.39Å; K163-D218 WeakPolarHBondContact CE-OD2 3.48Å; K163-D218 IonicContact NZ-OD1 3.46Å; K163-D218 IonicContact NZ-OD2 2.67Å; K163-D218 PolarHBondContact NZ-OD2 2.85Å; S165-D218 WeakPolarHBondContact CB-OD1 3.47Å; R174-D218 PolarHBondContact O-N 2.85Å; A175-D218 CarbonylContact C-O 3.5Å; A175-D218 WeakPolarHBondContact CA-O 3.46Å; A175-D218 HydrophobicContact CB-CB 4.22Å; I176-D218 PolarHBondContact N-O 3.48Å; D218-Y220 HydrophobicContact CB-CE2 4.47Å
219	I	98.6	Very high	97.6	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.8	176.8	-48.8	-178.6	0	0	0	109	K163 L164 I176 I178 F196 M213 L214 V221	K163-I219 WeakPolarHBondContact CA-O 3.24Å; L164-I219 HydrophobicContact CB-CB 4.3Å; L164-I219 PolarHBondContact N-O 2.85Å; L164-I219 PolarHBondContact O-N 3.35Å; I176-I219 HydrophobicContact CB-CG1 4.36Å; I176-I219 HydrophobicContact CB-CG2 4.23Å; I176-I219 HydrophobicContact CD1-CD1 4.41Å; I176-I219 HydrophobicContact CD1-CG1 4.31Å; I176-I219 HydrophobicContact CG2-CG2 4.41Å; I176-I219 WeakPolarHBondContact O-CA 3.25Å; I178-I219 HydrophobicContact CD1-CG2 3.72Å; I178-I219 HydrophobicContact CG1-CG2 4.26Å; F196-I219 HydrophobicContact CE1-CD1 4.41Å; F196-I219 HydrophobicContact CE1-CG2 3.84Å; F196-I219 HydrophobicContact CZ-CD1 3.93Å; F196-I219 HydrophobicContact CZ-CG2 4.15Å; M213-I219 HydrophobicContact CB-CD1 4.31Å; M213-I219 HydrophobicContact CE-CD1 3.97Å; L214-I219 HydrophobicContact CD2-CD1 3.91Å; L214-I219 HydrophobicContact CD2-CG1 4.24Å; I219-V221 HydrophobicContact CG2-CG2 3.99Å
220	Y	98.9	Very high	97.7	Very high	18 Å²	18	8.5 Å²	8.5	7%	0.071	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.9	173	-63.9	-71	0	0	0	109.3	V161 L162 K163 A175 I176 W177 I178 D218 F296	V161-Y220 HydrophobicContact CG1-CD1 3.87Å; V161-Y220 HydrophobicContact CG1-CG 4.29Å; L162-Y220 CarbonylContact O-C 3.47Å; L162-Y220 WeakPolarHBondContact O-CA 3.39Å; K163-Y220 HydrophobicContact CB-CD1 3.83Å; K163-Y220 HydrophobicContact CB-CE1 3.69Å; K163-Y220 HydrophobicContact CD-CE1 3.73Å; K163-Y220 HydrophobicContact CG-CD1 4.09Å; K163-Y220 HydrophobicContact CG-CE1 3.63Å; K163-Y220 PolarHBondContact NZ-OH 2.87Å; A175-Y220 HydrophobicContact CB-CD2 3.8Å; A175-Y220 HydrophobicContact CB-CE2 3.52Å; I176-Y220 PolarHBondContact O-N 3.27Å; W177-Y220 HydrophobicContact CE3-CG 4.46Å; I178-Y220 PolarHBondContact N-O 2.72Å; D218-Y220 HydrophobicContact CB-CE2 4.47Å; Y220-F296 HydrophobicContact CD1-CE1 4.36Å; Y220-F296 AromaticContact CD1-CZ 3.75Å; Y220-F296 HydrophobicContact CD1-CZ 3.75Å; Y220-F296 HydrophobicContact CD2-CE1 4.25Å; Y220-F296 HydrophobicContact CD2-CZ 4.29Å; Y220-F296 AromaticContact CE1-CZ 3.84Å; Y220-F296 HydrophobicContact CE1-CZ 3.84Å; Y220-F296 HydrophobicContact CE2-CZ 4.36Å; Y220-F296 HydrophobicContact CG-CE1 4.14Å; Y220-F296 AromaticContact CG-CZ 4Å; Y220-F296 HydrophobicContact CG-CZ 4Å
221	V	98.9	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.3	179.1	-173.7	0	0	0	0	109.3	V161 L162 L164 I178 C193 F196 V197 I219 P223	V161-V221 CarbonylContact C-O 3.47Å; V161-V221 WeakPolarHBondContact CA-O 3.46Å; L162-V221 PolarHBondContact N-O 2.77Å; L162-V221 PolarHBondContact O-N 3.47Å; L164-V221 HydrophobicContact CD1-CG2 4.35Å; I178-V221 HydrophobicContact CB-CG2 4.48Å; I178-V221 HydrophobicContact CD1-CG2 4.41Å; I178-V221 CarbonylContact O-C 3.39Å; I178-V221 VanDerWaalsContact O-CA 3.31Å; I178-V221 WeakPolarHBondContact O-CA 3.39Å; C193-V221 HydrophobicContact CB-CG1 3.91Å; C193-V221 VanDerWaalsContact SG-CG1 3.56Å; F196-V221 HydrophobicContact CD1-CG2 4.05Å; F196-V221 HydrophobicContact CE1-CG2 4.03Å; V197-V221 HydrophobicContact CG2-CB 4.08Å; V197-V221 HydrophobicContact CG2-CG1 3.96Å; V197-V221 HydrophobicContact CG2-CG2 4.02Å; I219-V221 HydrophobicContact CG2-CG2 3.99Å; V221-P223 WeakPolarHBondContact O-CD 3.46Å
222	L	98.9	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	99.2	170	177.3	57.6	0	0	0	109	I150 L159 Y160 V161 W177 I178 D179 C180 V224 M225 V293	I150-L222 HydrophobicContact CD1-CD2 4.33Å; L159-L222 HydrophobicContact CB-CD1 4.47Å; Y160-L222 VanDerWaalsContact O-CD1 3.3Å; Y160-L222 WeakPolarHBondContact O-CD1 3.41Å; V161-L222 HydrophobicContact CG2-CB 4.19Å; V161-L222 HydrophobicContact CG2-CD1 4.16Å; W177-L222 HydrophobicContact CH2-CB 4.01Å; W177-L222 HydrophobicContact CH2-CD2 4.13Å; W177-L222 HydrophobicContact CZ2-CB 3.91Å; W177-L222 HydrophobicContact CZ2-CD2 3.87Å; I178-L222 PolarHBondContact O-N 3.08Å; D179-L222 HydrophobicContact CB-CB 4.09Å; D179-L222 HydrophobicContact CB-CD2 4.34Å; C180-L222 PolarHBondContact N-O 2.92Å; L222-V224 PolarHBondContact O-N 3.09Å; L222-M225 HydrophobicContact CD2-CB 3.81Å; L222-M225 HydrophobicContact CD2-CG 3.99Å; L222-M225 HydrophobicContact CG-CB 4.32Å; L222-V293 HydrophobicContact CD2-CG2 3.56Å
223	P	98.9	Very high	98	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.006	4%	0.042	C	C	.	.	S	Bend	trans	-68.4	-31.4	-171.3	-23	35	0	0	0	114.8	I130 W133 I134 Y160 L162 C180 P190 C193 L194 V221	I130-P223 HydrophobicContact CG2-CB 4.39Å; W133-P223 HydrophobicContact CZ3-CG 4.42Å; I134-P223 HydrophobicContact CD1-CG 4.15Å; Y160-P223 WeakPolarHBondContact O-CD 3.33Å; L162-P223 HydrophobicContact CD1-CG 3.57Å; C180-P223 CarbonylContact C-O 3.51Å; C180-P223 VanDerWaalsContact CB-O 3.26Å; C180-P223 WeakPolarHBondContact CB-O 3.46Å; P190-P223 WeakPolarHBondContact CA-O 3.07Å; C193-P223 HydrophobicContact CB-CB 4.15Å; L194-P223 HydrophobicContact CD1-CB 3.88Å; V221-P223 WeakPolarHBondContact O-CD 3.46Å
224	V	98.9	Very high	98	Very high	10 Å²	10	11.4 Å²	11.4	6%	0.061	5%	0.051	C	C	.	.			trans	-141.7	100.1	-179.3	-172.8	0	0	0	0	108.8	L127 I130 C180 P190 L222 P227 Y230	L127-V224 HydrophobicContact CD1-CB 4.45Å; L127-V224 HydrophobicContact CD1-CG1 4.28Å; L127-V224 HydrophobicContact CD1-CG2 4.41Å; I130-V224 HydrophobicContact CD1-CG2 3.8Å; I130-V224 HydrophobicContact CG2-CG2 4.26Å; C180-V224 WeakPolarHBondContact O-CA 3.39Å; P190-V224 HydrophobicContact CB-CG2 4.14Å; P190-V224 HydrophobicContact CG-CG2 4.32Å; L222-V224 PolarHBondContact O-N 3.09Å; V224-P227 HydrophobicContact CG1-CB 4.33Å; V224-Y230 HydrophobicContact CG1-CD1 4.34Å; V224-Y230 HydrophobicContact CG1-CG 4.02Å
225	M	98.9	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-74.1	-32.8	176.6	-178.1	177.3	167.4	0	0	112.3	C180 I182 L222 P227 L257 F261 A290 V293	C180-M225 PolarHBondContact O-N 3.21Å; I182-M225 HydrophobicContact CB-CB 4.31Å; I182-M225 HydrophobicContact CB-SD 3.93Å; I182-M225 HydrophobicContact CD1-CE 3.91Å; I182-M225 HydrophobicContact CD1-SD 3.65Å; I182-M225 HydrophobicContact CG1-CE 4.16Å; I182-M225 HydrophobicContact CG1-CG 4.48Å; I182-M225 HydrophobicContact CG1-SD 3.69Å; L222-M225 HydrophobicContact CD2-CB 3.81Å; L222-M225 HydrophobicContact CD2-CG 3.99Å; L222-M225 HydrophobicContact CG-CB 4.32Å; M225-P227 WeakPolarHBondContact O-CD 3.49Å; M225-L257 HydrophobicContact CE-CD1 4.44Å; M225-F261 HydrophobicContact CE-CE2 3.84Å; M225-F261 HydrophobicContact CE-CZ 3.51Å; M225-A290 HydrophobicContact CE-CB 4.42Å; M225-V293 HydrophobicContact CE-CB 4.24Å; M225-V293 HydrophobicContact CE-CG2 3.93Å; M225-V293 HydrophobicContact CG-CG2 4.1Å; M225-V293 HydrophobicContact SD-CG2 4.02Å
226	N	98.9	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.			trans	-109.8	72	178.1	-175.7	1	0	0	0	111.6	G181 I182 D228 G229 Y230 R241 K242 N243 L257	G181-N226 VanDerWaalsContact O-CB 3.23Å; G181-N226 WeakPolarHBondContact O-CB 3.15Å; G181-N226 PolarHBondContact O-N 3.4Å; I182-N226 VanDerWaalsContact O-CB 3.26Å; I182-N226 WeakPolarHBondContact O-CB 3.24Å; I182-N226 PolarHBondContact O-ND2 3.38Å; N226-D228 VanDerWaalsContact C-N 3.3Å; N226-D228 PolarHBondContact O-N 3.42Å; N226-G229 WeakPolarHBondContact OD1-CA 3.21Å; N226-G229 PolarHBondContact OD1-N 2.83Å; N226-Y230 VanDerWaalsContact O-CB 3.23Å; N226-Y230 WeakPolarHBondContact O-CB 3.49Å; N226-Y230 PolarHBondContact O-N 3.05Å; N226-R241 PolarHBondContact ND2-O 3.26Å; N226-K242 VanDerWaalsContact ND2-C 3.28Å; N226-K242 PolarHBondContact ND2-O 2.83Å; N226-N243 PolarHBondContact ND2-N 2.82Å; N226-N243 WeakPolarHBondContact OD1-CA 3.07Å; N226-L257 HydrophobicContact CB-CD1 3.69Å
227	P	98.9	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.2	-33.3	-174.9	27.7	-36.2	0	0	0	112.4	L127 Y131 R157 L159 V224 M225 K231	L127-P227 HydrophobicContact CD1-CB 3.98Å; L127-P227 HydrophobicContact CD2-CB 3.86Å; L127-P227 WeakPolarHBondContact CD2-O 3.24Å; Y131-P227 WeakPolarHBondContact OH-CB 3.19Å; R157-P227 HydrophobicContact CB-CB 4.19Å; R157-P227 HydrophobicContact CB-CG 4.15Å; L159-P227 HydrophobicContact CD1-CG 4.42Å; V224-P227 HydrophobicContact CG1-CB 4.33Å; M225-P227 WeakPolarHBondContact O-CD 3.49Å; P227-K231 WeakPolarHBondContact O-CB 3.47Å; P227-K231 PolarHBondContact O-N 3.48Å
228	D	98.9	Very high	98.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-70.7	-47.9	-178.7	-60.9	-8.9	0	0	0	111.5	S153 Y154 E155 R157 N226 K231 Y232 R244	S153-D228 VanDerWaalsContact CB-CG 3.44Å; S153-D228 VanDerWaalsContact CB-OD1 3.23Å; S153-D228 WeakPolarHBondContact CB-OD1 3.27Å; S153-D228 VanDerWaalsContact CB-OD2 3.26Å; S153-D228 WeakPolarHBondContact CB-OD2 3.5Å; S153-D228 PolarHBondContact OG-OD1 3.44Å; S153-D228 PolarHBondContact OG-OD2 2.88Å; S153-D228 VanDerWaalsContact OG-OD2 3.08Å; Y154-D228 PolarHBondContact N-OD2 2.88Å; E155-D228 WeakPolarHBondContact CB-OD2 3.34Å; E155-D228 HydrophobicContact CG-CB 4.37Å; E155-D228 WeakPolarHBondContact CG-OD2 3.48Å; E155-D228 PolarHBondContact N-OD2 2.74Å; R157-D228 IonicContact CZ-OD1 3.77Å; R157-D228 VanDerWaalsContact NH1-CG 3.3Å; R157-D228 IonicContact NH1-OD1 3.78Å; R157-D228 PolarHBondContact NH1-OD1 3.47Å; N226-D228 VanDerWaalsContact C-N 3.3Å; N226-D228 PolarHBondContact O-N 3.42Å; D228-K231 PolarHBondContact O-N 3Å; D228-Y232 WeakPolarHBondContact O-CB 2.99Å; D228-Y232 PolarHBondContact O-N 2.89Å; D228-R244 HydrophobicContact CB-CB 3.79Å; D228-R244 HydrophobicContact CB-CG 3.75Å
229	G	98.9	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-45.8	173.8	0	0	0	0	0	110.9	A184 N226 K231 Y232 T233	A184-G229 WeakPolarHBondContact CB-O 3.31Å; N226-G229 WeakPolarHBondContact OD1-CA 3.21Å; N226-G229 PolarHBondContact OD1-N 2.83Å; G229-K231 PolarHBondContact O-N 3.06Å; G229-Y232 WeakPolarHBondContact O-CB 3.45Å; G229-Y232 PolarHBondContact O-N 3.35Å; G229-Y232 VanDerWaalsContact O-N 3.09Å; G229-T233 WeakPolarHBondContact O-CG2 3.47Å; G229-T233 PolarHBondContact O-N 2.88Å
230	Y	98.9	Very high	98.3	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-57.7	-48.9	178.7	-172.6	-102.8	0	0	0	110.9	H125 L127 I130 W187 P190 V224 N226 Y232 T233 W234	H125-Y230 WeakPolarHBondContact O-CE1 3.08Å; H125-Y230 PolarHBondContact O-OH 2.88Å; L127-Y230 HydrophobicContact CB-CD1 4.13Å; L127-Y230 HydrophobicContact CD1-CD1 4.26Å; I130-Y230 HydrophobicContact CD1-CE1 3.78Å; W187-Y230 AromaticContact CD1-CD2 3.96Å; W187-Y230 AromaticContact CD1-CE2 3.48Å; W187-Y230 VanDerWaalsContact CD1-CE2 3.48Å; W187-Y230 HydrophobicContact CG-CE2 4.06Å; W187-Y230 AromaticContact NE1-CE2 3.74Å; P190-Y230 HydrophobicContact CB-CE2 4.33Å; P190-Y230 HydrophobicContact CG-CD2 4.23Å; P190-Y230 HydrophobicContact CG-CE2 3.89Å; V224-Y230 HydrophobicContact CG1-CD1 4.34Å; V224-Y230 HydrophobicContact CG1-CG 4.02Å; N226-Y230 VanDerWaalsContact O-CB 3.23Å; N226-Y230 WeakPolarHBondContact O-CB 3.49Å; N226-Y230 PolarHBondContact O-N 3.05Å; Y230-Y232 VanDerWaalsContact C-N 3.3Å; Y230-Y232 PolarHBondContact O-N 3.37Å; Y230-T233 PolarHBondContact O-N 3.17Å; Y230-T233 VanDerWaalsContact O-N 3.11Å; Y230-T233 PolarHBondContact O-OG1 3.29Å; Y230-W234 AromaticContact CE1-CD1 3.83Å; Y230-W234 AromaticContact CE1-NE1 3.4Å; Y230-W234 AromaticContact CE2-NE1 3.87Å; Y230-W234 AromaticContact CZ-CD1 4Å; Y230-W234 AromaticContact CZ-NE1 3.24Å; Y230-W234 PolarHBondContact O-N 2.55Å; Y230-W234 PolarHBondContact OH-NE1 3.05Å
231	K	98.8	Very high	98.3	Very high	44 Å²	44	22.4 Å²	22.4	19%	0.191	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-43.1	174.8	-177.3	60	175.3	-176.5	0	112.1	L127 E128 P227 D228 G229 T233 W234 T235	L127-K231 HydrophobicContact CB-CD 4.4Å; L127-K231 HydrophobicContact CD2-CB 4.05Å; E128-K231 WeakPolarHBondContact OE1-CE 3.49Å; E128-K231 IonicContact OE1-NZ 3.14Å; E128-K231 PolarHBondContact OE1-NZ 3.49Å; E128-K231 IonicContact OE2-NZ 3.41Å; E128-K231 PolarHBondContact OE2-NZ 3.38Å; P227-K231 WeakPolarHBondContact O-CB 3.47Å; P227-K231 PolarHBondContact O-N 3.48Å; D228-K231 PolarHBondContact O-N 3Å; G229-K231 PolarHBondContact O-N 3.06Å; K231-T233 VanDerWaalsContact C-N 3.26Å; K231-T233 PolarHBondContact O-N 3.45Å; K231-W234 WeakPolarHBondContact O-CB 2.93Å; K231-W234 PolarHBondContact O-N 2.81Å; K231-T235 HydrophobicContact CD-CG2 4.14Å; K231-T235 PolarHBondContact O-N 2.92Å; K231-T235 PolarHBondContact O-OG1 3.44Å
232	Y	98.8	Very high	98.3	Very high	54 Å²	54	22.6 Å²	22.6	21%	0.212	11%	0.113	C	C	.	.	H	α-helix	trans	-62.1	-32.3	178.6	-169.2	-106.8	0	0	0	113	D228 G229 Y230 W234 T235 T236 N237 W240	D228-Y232 WeakPolarHBondContact O-CB 2.99Å; D228-Y232 PolarHBondContact O-N 2.89Å; G229-Y232 WeakPolarHBondContact O-CB 3.45Å; G229-Y232 PolarHBondContact O-N 3.35Å; G229-Y232 VanDerWaalsContact O-N 3.09Å; Y230-Y232 VanDerWaalsContact C-N 3.3Å; Y230-Y232 PolarHBondContact O-N 3.37Å; Y232-W234 VanDerWaalsContact C-N 3.29Å; Y232-W234 PolarHBondContact O-N 3.38Å; Y232-T235 PolarHBondContact O-N 2.67Å; Y232-T236 HydrophobicContact CD2-CG2 4.25Å; Y232-T236 HydrophobicContact CE1-CG2 4.39Å; Y232-T236 HydrophobicContact CE2-CG2 3.44Å; Y232-T236 VanDerWaalsContact CE2-CG2 3.44Å; Y232-T236 PolarHBondContact O-N 3.22Å; Y232-T236 WeakPolarHBondContact OH-CG2 3.48Å; Y232-N237 HydrophobicContact CD1-CB 4.22Å; Y232-N237 HydrophobicContact CE1-CB 3.66Å; Y232-N237 PolarHBondContact O-N 2.81Å; Y232-W240 HydrophobicContact CD1-CB 3.7Å; Y232-W240 AromaticContact CD1-CD1 3.91Å; Y232-W240 AromaticContact CD1-CD2 3.76Å; Y232-W240 HydrophobicContact CD1-CD2 3.76Å; Y232-W240 HydrophobicContact CD1-CE3 4.25Å; Y232-W240 AromaticContact CD1-CG 3.49Å; Y232-W240 HydrophobicContact CD1-CG 3.49Å; Y232-W240 VanDerWaalsContact CD1-CG 3.49Å; Y232-W240 HydrophobicContact CE1-CB 4.14Å; Y232-W240 AromaticContact CE1-CD2 3.72Å; Y232-W240 HydrophobicContact CE1-CD2 3.72Å; Y232-W240 AromaticContact CE1-CE3 3.73Å; Y232-W240 HydrophobicContact CE1-CE3 3.73Å; Y232-W240 AromaticContact CE1-CG 3.91Å; Y232-W240 HydrophobicContact CE1-CG 3.91Å; Y232-W240 HydrophobicContact CE1-CZ3 4.44Å
233	T	98.7	Very high	98.3	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-69.4	-25.8	173.9	63.5	0	0	0	0	114.1	A184 W187 G229 Y230 K231 N237 R238 W240	A184-T233 HydrophobicContact CB-CG2 3.62Å; W187-T233 PolarHBondContact NE1-OG1 3.08Å; G229-T233 WeakPolarHBondContact O-CG2 3.47Å; G229-T233 PolarHBondContact O-N 2.88Å; Y230-T233 PolarHBondContact O-N 3.17Å; Y230-T233 VanDerWaalsContact O-N 3.11Å; Y230-T233 PolarHBondContact O-OG1 3.29Å; K231-T233 VanDerWaalsContact C-N 3.26Å; K231-T233 PolarHBondContact O-N 3.45Å; T233-N237 VanDerWaalsContact CA-O 3.31Å; T233-N237 WeakPolarHBondContact CA-O 3.3Å; T233-R238 WeakPolarHBondContact O-CA 3.37Å; T233-W240 HydrophobicContact CG2-CB 3.88Å; T233-W240 WeakPolarHBondContact CG2-O 3.22Å
234	W	97.8	Very high	98.3	Very high	53 Å²	53	24.1 Å²	24.1	20%	0.201	12%	0.119	C	C	.	.	H	α-helix	trans	-81.6	-28.5	175.4	-82.1	75.6	0	0	0	112.9	T107 H125 W187 Y230 K231 Y232	T107-W234 HydrophobicContact CG2-CE3 4Å; T107-W234 HydrophobicContact CG2-CZ3 3.98Å; H125-W234 WeakPolarHBondContact O-CZ2 3.43Å; W187-W234 AromaticContact CE2-CD1 3.79Å; W187-W234 AromaticContact CE2-NE1 3.47Å; W187-W234 HydrophobicContact CE3-CZ2 4.25Å; W187-W234 AromaticContact CH2-CD1 3.98Å; W187-W234 AromaticContact CH2-CD2 3.85Å; W187-W234 HydrophobicContact CH2-CD2 3.85Å; W187-W234 AromaticContact CH2-CE2 3.64Å; W187-W234 HydrophobicContact CH2-CE3 4.45Å; W187-W234 HydrophobicContact CH2-CG 4.06Å; W187-W234 HydrophobicContact CH2-CZ2 4.06Å; W187-W234 AromaticContact CH2-NE1 3.74Å; W187-W234 AromaticContact CZ2-CD1 3.35Å; W187-W234 HydrophobicContact CZ2-CD2 4.03Å; W187-W234 AromaticContact CZ2-CE2 3.75Å; W187-W234 AromaticContact CZ2-CG 3.79Å; W187-W234 HydrophobicContact CZ2-CG 3.79Å; W187-W234 HydrophobicContact CZ2-CZ2 4.49Å; W187-W234 AromaticContact CZ2-NE1 3.32Å; W187-W234 VanDerWaalsContact CZ2-NE1 3.32Å; W187-W234 AromaticContact CZ3-CE2 3.96Å; W187-W234 HydrophobicContact CZ3-CH2 4.45Å; W187-W234 AromaticContact CZ3-CZ2 3.92Å; W187-W234 HydrophobicContact CZ3-CZ2 3.92Å; W187-W234 AromaticContact NE1-NE1 3.93Å; Y230-W234 AromaticContact CE1-CD1 3.83Å; Y230-W234 AromaticContact CE1-NE1 3.4Å; Y230-W234 AromaticContact CE2-NE1 3.87Å; Y230-W234 AromaticContact CZ-CD1 4Å; Y230-W234 AromaticContact CZ-NE1 3.24Å; Y230-W234 PolarHBondContact O-N 2.55Å; Y230-W234 PolarHBondContact OH-NE1 3.05Å; K231-W234 WeakPolarHBondContact O-CB 2.93Å; K231-W234 PolarHBondContact O-N 2.81Å; Y232-W234 VanDerWaalsContact C-N 3.29Å; Y232-W234 PolarHBondContact O-N 3.38Å
235	T	96.7	Very high	98.2	Very high	82 Å²	82	24.1 Å²	24.1	50%	0.503	12%	0.12	S	C	.	.	H	α-helix	trans	-111.1	-20.7	-169.2	59.4	0	0	0	0	114.9	K231 Y232	K231-T235 HydrophobicContact CD-CG2 4.14Å; K231-T235 PolarHBondContact O-N 2.92Å; K231-T235 PolarHBondContact O-OG1 3.44Å; Y232-T235 PolarHBondContact O-N 2.67Å
236	T	96.6	Very high	98	Very high	94 Å²	94	28.9 Å²	28.9	58%	0.577	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.3	-55.2	-165.5	-48.9	0	0	0	0	113.9	Y232	Y232-T236 HydrophobicContact CD2-CG2 4.25Å; Y232-T236 HydrophobicContact CE1-CG2 4.39Å; Y232-T236 HydrophobicContact CE2-CG2 3.44Å; Y232-T236 VanDerWaalsContact CE2-CG2 3.44Å; Y232-T236 PolarHBondContact O-N 3.22Å; Y232-T236 WeakPolarHBondContact OH-CG2 3.48Å
237	N	96.7	Very high	97.3	Very high	58 Å²	58	29.9 Å²	29.9	31%	0.31	15%	0.15	S	C	.	.			trans	-140.9	101.5	-179	-179.3	-9.9	0	0	0	110.7	Y232 T233 M239 W240	Y232-N237 HydrophobicContact CD1-CB 4.22Å; Y232-N237 HydrophobicContact CE1-CB 3.66Å; Y232-N237 PolarHBondContact O-N 2.81Å; T233-N237 VanDerWaalsContact CA-O 3.31Å; T233-N237 WeakPolarHBondContact CA-O 3.3Å; N237-M239 PolarHBondContact O-N 3.28Å; N237-M239 VanDerWaalsContact O-N 3.11Å; N237-M239 WeakPolarHBondContact OD1-CA 3.28Å; N237-M239 PolarHBondContact OD1-N 3.14Å; N237-W240 HydrophobicContact CB-CB 4.36Å; N237-W240 VanDerWaalsContact O-CB 3.25Å; N237-W240 WeakPolarHBondContact O-CB 3.27Å; N237-W240 PolarHBondContact O-N 3.47Å; N237-W240 PolarHBondContact OD1-N 3.47Å
238	R	97.3	Very high	96.4	Very high	16 Å²	16	39.3 Å²	39.3	6%	0.06	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.8	-179.3	-179.3	60.6	-176.4	80.5	-2.5	114.3	I103 Q106 R185 W187 T233 F394 L395	I103-R238 HydrophobicContact CD1-CB 3.97Å; I103-R238 HydrophobicContact CD1-CG 3.89Å; I103-R238 HydrophobicContact CG1-CG 3.95Å; Q106-R238 VanDerWaalsContact OE1-NE 3.17Å; R185-R238 WeakPolarHBondContact CB-O 2.88Å; R185-R238 PolarHBondContact O-NH1 3.34Å; W187-R238 VanDerWaalsContact CD2-CZ 3.46Å; W187-R238 VanDerWaalsContact CD2-NH2 3.35Å; T233-R238 WeakPolarHBondContact O-CA 3.37Å; R238-F394 PolarHBondContact NH2-O 3.35Å; R238-L395 HydrophobicContact CG-CD2 4.03Å
239	M	97.3	Very high	95.6	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.03	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3.5	-178	-55.9	-53.9	148.6	0	0	113.6	V53 W55 F72 I103 R185 N237 L395	V53-M239 HydrophobicContact CB-CB 4.34Å; V53-M239 HydrophobicContact CG1-CB 4.07Å; V53-M239 HydrophobicContact CG2-CB 4.2Å; W55-M239 HydrophobicContact CZ2-CE 4Å; W55-M239 HydrophobicContact CZ2-SD 3.67Å; W55-M239 PolarHBondContact NE1-SD 2.89Å; F72-M239 HydrophobicContact CD1-CG 4.2Å; F72-M239 HydrophobicContact CD2-CE 4.21Å; F72-M239 HydrophobicContact CD2-CG 4.25Å; F72-M239 HydrophobicContact CD2-SD 4.4Å; F72-M239 HydrophobicContact CE1-CG 4.24Å; F72-M239 HydrophobicContact CE2-CE 4.06Å; F72-M239 HydrophobicContact CE2-CG 4.28Å; F72-M239 HydrophobicContact CG-CG 4.19Å; F72-M239 HydrophobicContact CZ-CG 4.27Å; I103-M239 HydrophobicContact CD1-CE 4.13Å; R185-M239 WeakPolarHBondContact CD-O 3.3Å; R185-M239 PolarHBondContact NH1-O 3.11Å; R185-M239 VanDerWaalsContact NH1-O 3.13Å; N237-M239 PolarHBondContact O-N 3.28Å; N237-M239 VanDerWaalsContact O-N 3.11Å; N237-M239 WeakPolarHBondContact OD1-CA 3.28Å; N237-M239 PolarHBondContact OD1-N 3.14Å; M239-L395 HydrophobicContact CE-CD1 3.91Å; M239-L395 HydrophobicContact CE-CD2 3.89Å; M239-L395 HydrophobicContact CE-CG 4.05Å
240	W	98.5	Very high	95.2	Very high	32 Å²	32	48.4 Å²	48.4	12%	0.121	24%	0.237	C	C	.	.			trans	-63.9	135.7	177.1	-168.2	-97.7	0	0	0	111.8	A184 R185 Y232 T233 N237 K242 N243 V253	A184-W240 WeakPolarHBondContact CB-O 3.32Å; R185-W240 VanDerWaalsContact CB-O 3.29Å; R185-W240 WeakPolarHBondContact CB-O 3.3Å; R185-W240 PolarHBondContact N-O 3.23Å; Y232-W240 HydrophobicContact CD1-CB 3.7Å; Y232-W240 AromaticContact CD1-CD1 3.91Å; Y232-W240 AromaticContact CD1-CD2 3.76Å; Y232-W240 HydrophobicContact CD1-CD2 3.76Å; Y232-W240 HydrophobicContact CD1-CE3 4.25Å; Y232-W240 AromaticContact CD1-CG 3.49Å; Y232-W240 HydrophobicContact CD1-CG 3.49Å; Y232-W240 VanDerWaalsContact CD1-CG 3.49Å; Y232-W240 HydrophobicContact CE1-CB 4.14Å; Y232-W240 AromaticContact CE1-CD2 3.72Å; Y232-W240 HydrophobicContact CE1-CD2 3.72Å; Y232-W240 AromaticContact CE1-CE3 3.73Å; Y232-W240 HydrophobicContact CE1-CE3 3.73Å; Y232-W240 AromaticContact CE1-CG 3.91Å; Y232-W240 HydrophobicContact CE1-CG 3.91Å; Y232-W240 HydrophobicContact CE1-CZ3 4.44Å; T233-W240 HydrophobicContact CG2-CB 3.88Å; T233-W240 WeakPolarHBondContact CG2-O 3.22Å; N237-W240 HydrophobicContact CB-CB 4.36Å; N237-W240 VanDerWaalsContact O-CB 3.25Å; N237-W240 WeakPolarHBondContact O-CB 3.27Å; N237-W240 PolarHBondContact O-N 3.47Å; N237-W240 PolarHBondContact OD1-N 3.47Å; W240-K242 HydrophobicContact CZ2-CB 4.3Å; W240-K242 PolarHBondContact NE1-O 3.28Å; W240-N243 PolarHBondContact NE1-O 2.78Å; W240-V253 HydrophobicContact CH2-CB 4.12Å; W240-V253 VanDerWaalsContact CH2-O 3.24Å; W240-V253 WeakPolarHBondContact CH2-O 3.49Å; W240-V253 HydrophobicContact CZ2-CB 4.25Å; W240-V253 HydrophobicContact CZ2-CG1 4.42Å; W240-V253 VanDerWaalsContact CZ2-O 3.24Å; W240-V253 WeakPolarHBondContact CZ2-O 3.01Å
241	R	98.6	Very high	94.9	Very high	11 Å²	11	56 Å²	56	4%	0.042	28%	0.277	C	S	.	.			trans	-109.3	-51.3	-176.9	177.2	-175.2	167.3	75	2.6	112.7	H183 A184 E186 N226 D256 E277	H183-R241 WeakPolarHBondContact CA-O 3.21Å; H183-R241 HydrophobicContact CB-CG 4.07Å; H183-R241 VanDerWaalsContact CD2-CZ 3.44Å; H183-R241 PolarHBondContact CD2-NH2 3Å; H183-R241 VanDerWaalsContact CE1-CZ 3.41Å; H183-R241 PolarHBondContact CE1-NH1 2.84Å; H183-R241 PolarHBondContact CE1-NH2 3.48Å; H183-R241 VanDerWaalsContact CG-NH1 3.29Å; H183-R241 PolarHBondContact ND1-NH1 3.07Å; H183-R241 VanDerWaalsContact NE2-CZ 3.26Å; H183-R241 PolarHBondContact NE2-NH1 2.83Å; H183-R241 PolarHBondContact NE2-NH2 2.84Å; A184-R241 PolarHBondContact N-O 3.42Å; E186-R241 IonicContact OE1-NH1 3.57Å; N226-R241 PolarHBondContact ND2-O 3.26Å; R241-D256 IonicContact CZ-OD2 3.91Å; R241-D256 IonicContact NE-OD2 3.28Å; R241-D256 PolarHBondContact NE-OD2 2.91Å; R241-D256 VanDerWaalsContact NE-OD2 3.08Å; R241-D256 IonicContact NH2-OD1 2.88Å; R241-D256 IonicContact NH2-OD2 2.74Å; R241-D256 PolarHBondContact NH2-OD2 2.9Å; R241-E277 WeakPolarHBondContact CB-OE2 3.03Å
242	K	98.8	Very high	94.7	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.017	28%	0.28	C	S	.	.	S	Bend	trans	-67.9	175.7	-170.7	-64	-166.5	-64.6	176.7	0	113.1	N226 W240 V253 G254 T255 D256 P274 D276	N226-K242 VanDerWaalsContact ND2-C 3.28Å; N226-K242 PolarHBondContact ND2-O 2.83Å; W240-K242 HydrophobicContact CZ2-CB 4.3Å; W240-K242 PolarHBondContact NE1-O 3.28Å; K242-V253 VanDerWaalsContact CE-O 3.27Å; K242-V253 WeakPolarHBondContact CE-O 3.49Å; K242-V253 PolarHBondContact NZ-O 2.68Å; K242-G254 WeakPolarHBondContact CD-O 3.31Å; K242-G254 WeakPolarHBondContact CE-O 3.44Å; K242-G254 PolarHBondContact NZ-O 3.4Å; K242-T255 WeakPolarHBondContact CA-O 3.32Å; K242-T255 VanDerWaalsContact CB-O 3.31Å; K242-T255 WeakPolarHBondContact CB-O 3.4Å; K242-D256 HydrophobicContact CG-CB 4.45Å; K242-P274 PolarHBondContact NZ-O 3.35Å; K242-D276 PolarHBondContact NZ-O 3.14Å; K242-D276 VanDerWaalsContact NZ-O 3.09Å
243	N	98.8	Very high	94.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.			trans	-72.1	-164.1	164	79.4	-10.3	0	0	0	111	N226 W240 S245 G254 T255 L257 E287 E289	N226-N243 PolarHBondContact ND2-N 2.82Å; N226-N243 WeakPolarHBondContact OD1-CA 3.07Å; W240-N243 PolarHBondContact NE1-O 2.78Å; N243-S245 PolarHBondContact OD1-N 3.33Å; N243-S245 PolarHBondContact OD1-OG 3.47Å; N243-S245 VanDerWaalsContact OD1-OG 3.14Å; N243-G254 WeakPolarHBondContact O-CA 3.46Å; N243-G254 VanDerWaalsContact OD1-CA 3.25Å; N243-G254 WeakPolarHBondContact OD1-CA 3.33Å; N243-T255 PolarHBondContact N-O 3.09Å; N243-T255 PolarHBondContact OD1-N 2.88Å; N243-T255 PolarHBondContact OD1-O 3.14Å; N243-L257 HydrophobicContact CB-CD1 4.33Å; N243-L257 HydrophobicContact CB-CD2 4.11Å; N243-L257 HydrophobicContact CB-CG 4.15Å; N243-E287 PolarHBondContact ND2-OE2 3.09Å; N243-E289 PolarHBondContact ND2-OE2 3.24Å
244	R	98.5	Very high	94.6	Very high	34 Å²	34	54.1 Å²	54.1	13%	0.128	28%	0.277	C	S	.	.			trans	-120.2	21.6	-178.1	-62.7	-62	-59.8	164.2	-0.7	113.9	D228	D228-R244 HydrophobicContact CB-CB 3.79Å; D228-R244 HydrophobicContact CB-CG 3.75Å
245	S	97.6	Very high	94.7	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.07	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-65.4	145	176.1	65.5	0	0	0	0	111.9	N243 V253 G254 E287	N243-S245 PolarHBondContact OD1-N 3.33Å; N243-S245 PolarHBondContact OD1-OG 3.47Å; N243-S245 VanDerWaalsContact OD1-OG 3.14Å; S245-V253 WeakPolarHBondContact O-CG1 3.26Å; S245-G254 PolarHBondContact O-N 3.42Å; S245-E287 WeakPolarHBondContact CB-OE2 3.23Å; S245-E287 PolarHBondContact OG-OE2 2.88Å
246	M	94.3	Very high	94.7	Very high	100 Å²	100	47.8 Å²	47.8	49%	0.493	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-97	126.4	178.4	-64.1	-66.5	-63	0	0	109.6	Y154 V253	Y154-M246 HydrophobicContact CE1-CG 4.2Å; M246-V253 HydrophobicContact CE-CG2 4.14Å; M246-V253 HydrophobicContact SD-CB 4.25Å; M246-V253 HydrophobicContact SD-CG1 3.84Å; M246-V253 HydrophobicContact SD-CG2 3.53Å; M246-V253 VanDerWaalsContact SD-CG2 3.53Å
247	S	83.9	Confident	94.9	Very high	20 Å²	20	43.4 Å²	43.4	14%	0.14	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-72.1	140.7	168.6	-179.5	0	0	0	0	110.2	E249 S250	S247-E249 VanDerWaalsContact C-N 3.26Å; S247-E249 PolarHBondContact OG-N 2.77Å; S247-E249 VanDerWaalsContact OG-N 3.14Å; S247-S250 PolarHBondContact OG-N 3.27Å
248	K	80.9	Confident	95	Very high	199 Å²	199	41.3 Å²	41.3	87%	0.865	21%	0.206	S	C	*	.	S	Bend	trans	-76.3	-17.9	170.3	-68	-178.3	-178.9	173.7	0	112.6
249	E	82.3	Confident	95	Very high	160 Å²	160	40.8 Å²	40.8	75%	0.748	20%	0.204	S	C	*	.	S	Bend	trans	-105.1	-8.2	-170.4	-63.9	173.9	-169.5	0	0	112.7	S247	S247-E249 VanDerWaalsContact C-N 3.26Å; S247-E249 PolarHBondContact OG-N 2.77Å; S247-E249 VanDerWaalsContact OG-N 3.14Å
250	S	90.4	Very high	95.1	Very high	31 Å²	31	40.5 Å²	40.5	22%	0.217	20%	0.203	C	C	.	.			trans	-149.6	153.6	-175.8	178.3	0	0	0	0	111.5	S247 C252	S247-S250 PolarHBondContact OG-N 3.27Å; S250-C252 PolarHBondContact O-N 3.08Å; S250-C252 PolarHBondContact OG-N 2.57Å; S250-C252 VanDerWaalsContact OG-N 3.11Å
251	N	92.1	Very high	95.1	Very high	162 Å²	162	39 Å²	39	87%	0.866	20%	0.197	S	C	*	.	S	Bend	trans	-78.8	-5.8	171.7	-65.6	-26.8	0	0	0	112.9
252	C	94.7	Very high	95.1	Very high	38 Å²	38	43.1 Å²	43.1	26%	0.257	22%	0.22	S	C	.	.			trans	-77.3	144.9	176.2	-68.5	0	0	0	0	111.3	S250 P274 C275	S250-C252 PolarHBondContact O-N 3.08Å; S250-C252 PolarHBondContact OG-N 2.57Å; S250-C252 VanDerWaalsContact OG-N 3.11Å; C252-P274 HydrophobicContact CB-CB 4.24Å; C252-C275 HydrophobicContact CB-CB 3.85Å; C252-C275 WeakPolarHBondContact CB-SG 3.27Å; C252-C275 WeakPolarHBondContact SG-CA 3.22Å; C252-C275 WeakPolarHBondContact SG-CB 3.48Å; C252-C275 CovalentContact SG-SG 2.03Å; C252-C275 PolarHBondContact SG-SG 3.44Å
253	V	97.3	Very high	95	Very high	23 Å²	23	43 Å²	43	14%	0.139	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-111.5	140.2	-171.8	-172	0	0	0	0	110.2	W240 K242 S245 M246	W240-V253 HydrophobicContact CH2-CB 4.12Å; W240-V253 VanDerWaalsContact CH2-O 3.24Å; W240-V253 WeakPolarHBondContact CH2-O 3.49Å; W240-V253 HydrophobicContact CZ2-CB 4.25Å; W240-V253 HydrophobicContact CZ2-CG1 4.42Å; W240-V253 VanDerWaalsContact CZ2-O 3.24Å; W240-V253 WeakPolarHBondContact CZ2-O 3.01Å; K242-V253 VanDerWaalsContact CE-O 3.27Å; K242-V253 WeakPolarHBondContact CE-O 3.49Å; K242-V253 PolarHBondContact NZ-O 2.68Å; S245-V253 WeakPolarHBondContact O-CG1 3.26Å; M246-V253 HydrophobicContact CE-CG2 4.14Å; M246-V253 HydrophobicContact SD-CB 4.25Å; M246-V253 HydrophobicContact SD-CG1 3.84Å; M246-V253 HydrophobicContact SD-CG2 3.53Å; M246-V253 VanDerWaalsContact SD-CG2 3.53Å
254	G	98.1	Very high	94.9	Very high	4 Å²	4	47.1 Å²	47.1	4%	0.041	24%	0.242	C	C	.	.			trans	87.2	152.1	167.7	0	0	0	0	0	115	K242 N243 S245	K242-G254 WeakPolarHBondContact CD-O 3.31Å; K242-G254 WeakPolarHBondContact CE-O 3.44Å; K242-G254 PolarHBondContact NZ-O 3.4Å; N243-G254 WeakPolarHBondContact O-CA 3.46Å; N243-G254 VanDerWaalsContact OD1-CA 3.25Å; N243-G254 WeakPolarHBondContact OD1-CA 3.33Å; S245-G254 PolarHBondContact O-N 3.42Å
255	T	98.6	Very high	94.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	25%	0.248	C	C	.	.			trans	-114.4	144	172.6	-66.5	0	0	0	0	109.2	K242 N243 L257 N260 Y279 E287	K242-T255 WeakPolarHBondContact CA-O 3.32Å; K242-T255 VanDerWaalsContact CB-O 3.31Å; K242-T255 WeakPolarHBondContact CB-O 3.4Å; N243-T255 PolarHBondContact N-O 3.09Å; N243-T255 PolarHBondContact OD1-N 2.88Å; N243-T255 PolarHBondContact OD1-O 3.14Å; T255-L257 PolarHBondContact O-N 3.25Å; T255-N260 HydrophobicContact CG2-CB 4.04Å; T255-Y279 WeakPolarHBondContact CG2-O 3.36Å; T255-Y279 WeakPolarHBondContact OG1-CE1 3.24Å; T255-E287 WeakPolarHBondContact CB-OE1 3.33Å; T255-E287 HydrophobicContact CG2-CG 3.49Å; T255-E287 VanDerWaalsContact CG2-CG 3.49Å; T255-E287 PolarHBondContact OG1-OE1 3.29Å
256	D	98.8	Very high	94.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.			trans	-72.3	106.8	167.8	-171.5	-18.4	0	0	0	108.2	H183 R241 K242 N258 R259 N260 E277 Y279	H183-D256 IonicContact CD2-OD1 2.65Å; H183-D256 IonicContact NE2-OD1 2.95Å; H183-D256 PolarHBondContact NE2-OD1 2.87Å; R241-D256 IonicContact CZ-OD2 3.91Å; R241-D256 IonicContact NE-OD2 3.28Å; R241-D256 PolarHBondContact NE-OD2 2.91Å; R241-D256 VanDerWaalsContact NE-OD2 3.08Å; R241-D256 IonicContact NH2-OD1 2.88Å; R241-D256 IonicContact NH2-OD2 2.74Å; R241-D256 PolarHBondContact NH2-OD2 2.9Å; K242-D256 HydrophobicContact CG-CB 4.45Å; D256-N258 PolarHBondContact O-N 3.02Å; D256-N258 PolarHBondContact OD1-N 3.35Å; D256-R259 HydrophobicContact CB-CB 4.11Å; D256-R259 HydrophobicContact CB-CG 3.94Å; D256-R259 PolarHBondContact O-N 3.46Å; D256-N260 PolarHBondContact O-N 2.75Å; D256-E277 WeakPolarHBondContact CB-O 3.33Å; D256-Y279 WeakPolarHBondContact CB-O 3.27Å; D256-Y279 PolarHBondContact N-O 3.2Å
257	L	98.8	Very high	94.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30.3	-178.7	-66.5	-178	0	0	0	111.9	I182 M225 N226 N243 T255 R259 N260 F261 E287 E289 A290	I182-L257 HydrophobicContact CD1-CB 3.96Å; I182-L257 HydrophobicContact CG1-CB 3.53Å; I182-L257 HydrophobicContact CG1-CD1 4.2Å; M225-L257 HydrophobicContact CE-CD1 4.44Å; N226-L257 HydrophobicContact CB-CD1 3.69Å; N243-L257 HydrophobicContact CB-CD1 4.33Å; N243-L257 HydrophobicContact CB-CD2 4.11Å; N243-L257 HydrophobicContact CB-CG 4.15Å; T255-L257 PolarHBondContact O-N 3.25Å; L257-R259 PolarHBondContact O-N 3.45Å; L257-N260 PolarHBondContact O-N 3.31Å; L257-F261 WeakPolarHBondContact O-CD2 3.33Å; L257-F261 WeakPolarHBondContact O-CE2 3.46Å; L257-E287 HydrophobicContact CD2-CB 3.46Å; L257-E287 VanDerWaalsContact CD2-CB 3.46Å; L257-E287 HydrophobicContact CD2-CG 3.73Å; L257-E289 HydrophobicContact CD1-CB 3.92Å; L257-E289 HydrophobicContact CD1-CG 4.39Å; L257-E289 HydrophobicContact CD2-CB 4.16Å; L257-A290 HydrophobicContact CD2-CB 4.44Å
258	N	98.7	Very high	95.4	Very high	15 Å²	15	54.9 Å²	54.9	8%	0.08	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-87.9	19	177.3	-152.9	24	0	0	0	113.1	I182 H183 D256 G367 G368 S369	I182-N258 HydrophobicContact CD1-CB 3.84Å; H183-N258 VanDerWaalsContact NE2-CB 3.34Å; H183-N258 WeakPolarHBondContact NE2-CB 3.31Å; D256-N258 PolarHBondContact O-N 3.02Å; D256-N258 PolarHBondContact OD1-N 3.35Å; N258-G367 CarbonylContact C-O 3.51Å; N258-G368 VanDerWaalsContact OD1-CA 3.28Å; N258-G368 WeakPolarHBondContact OD1-CA 3.44Å; N258-S369 PolarHBondContact OD1-N 3.24Å; N258-S369 PolarHBondContact OD1-OG 2.9Å
259	R	98.6	Very high	96.1	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.019	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-125.1	4.1	164.6	-62.2	-62.2	-176.8	-82.7	-2.2	112	D256 L257 W265 G269 A270 I278 C280 A365 P366 G367	D256-R259 HydrophobicContact CB-CB 4.11Å; D256-R259 HydrophobicContact CB-CG 3.94Å; D256-R259 PolarHBondContact O-N 3.46Å; L257-R259 PolarHBondContact O-N 3.45Å; R259-W265 VanDerWaalsContact O-CD1 3.3Å; R259-G269 PolarHBondContact NE-O 3.33Å; R259-A270 HydrophobicContact CB-CB 4.25Å; R259-A270 HydrophobicContact CG-CB 4.24Å; R259-I278 HydrophobicContact CG-CB 4.42Å; R259-C280 HydrophobicContact CB-CB 4.29Å; R259-A365 VanDerWaalsContact CZ-CB 3.46Å; R259-P366 WeakPolarHBondContact CD-O 3.3Å; R259-G367 CarbonylContact C-O 3.57Å; R259-G367 VanDerWaalsContact C-O 3.29Å; R259-G367 WeakPolarHBondContact CA-O 3.21Å; R259-G367 PolarHBondContact N-O 2.91Å
260	N	98.8	Very high	96.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.			trans	-101.9	-13	-169.8	-166.5	-117.1	0	0	0	113.6	T255 D256 L257 C280 F283 P284 E285 S286 E287 A290 G367	T255-N260 HydrophobicContact CG2-CB 4.04Å; D256-N260 PolarHBondContact O-N 2.75Å; L257-N260 PolarHBondContact O-N 3.31Å; N260-C280 PolarHBondContact ND2-O 3.07Å; N260-F283 PolarHBondContact ND2-O 2.83Å; N260-P284 CarbonylContact O-C 3.52Å; N260-P284 VanDerWaalsContact O-CA 3.32Å; N260-P284 WeakPolarHBondContact O-CA 3.33Å; N260-E285 PolarHBondContact O-N 3.39Å; N260-E285 VanDerWaalsContact OD1-CA 3.24Å; N260-E285 WeakPolarHBondContact OD1-CA 3.39Å; N260-E285 PolarHBondContact OD1-N 2.83Å; N260-S286 PolarHBondContact ND2-OG 3.31Å; N260-S286 PolarHBondContact OD1-N 2.98Å; N260-S286 VanDerWaalsContact OD1-N 3.11Å; N260-E287 HydrophobicContact CB-CG 4.36Å; N260-E287 WeakPolarHBondContact OD1-CG 3.05Å; N260-E287 PolarHBondContact OD1-N 2.94Å; N260-E287 VanDerWaalsContact OD1-N 3.12Å; N260-A290 HydrophobicContact CB-CB 4.5Å; N260-G367 PolarHBondContact N-O 2.98Å
261	F	98.8	Very high	97	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-73.7	158	179.8	-69.9	-97.7	0	0	0	112.7	I182 M225 L257 A263 A290 V293 A294 G367 W372	I182-F261 HydrophobicContact CD1-CE2 4.23Å; M225-F261 HydrophobicContact CE-CE2 3.84Å; M225-F261 HydrophobicContact CE-CZ 3.51Å; L257-F261 WeakPolarHBondContact O-CD2 3.33Å; L257-F261 WeakPolarHBondContact O-CE2 3.46Å; F261-A263 PolarHBondContact O-N 3.4Å; F261-A290 HydrophobicContact CE1-CB 4.5Å; F261-A290 HydrophobicContact CE2-CB 4.16Å; F261-A290 HydrophobicContact CZ-CB 4.11Å; F261-V293 HydrophobicContact CE1-CG1 4.41Å; F261-V293 HydrophobicContact CZ-CG1 4.4Å; F261-A294 HydrophobicContact CE1-CB 4.36Å; F261-G367 WeakPolarHBondContact CB-O 3.35Å; F261-G367 PolarHBondContact N-O 3.38Å; F261-G367 WeakPolarHBondContact O-CA 3.13Å; F261-W372 HydrophobicContact CB-CB 3.73Å; F261-W372 HydrophobicContact CB-CG 3.9Å; F261-W372 HydrophobicContact CD1-CB 4.28Å; F261-W372 AromaticContact CD1-CD2 3.83Å; F261-W372 HydrophobicContact CD1-CD2 3.83Å; F261-W372 HydrophobicContact CD1-CE3 4.05Å; F261-W372 AromaticContact CD1-CG 3.93Å; F261-W372 HydrophobicContact CD1-CG 3.93Å; F261-W372 HydrophobicContact CE1-CE3 4.36Å; F261-W372 HydrophobicContact CG-CB 4.31Å; F261-W372 HydrophobicContact CG-CG 4.35Å
262	D	98.1	Very high	97.2	Very high	97 Å²	97	35.7 Å²	35.7	52%	0.519	19%	0.189	S	C	.	.	S	Bend	trans	-78.3	63.5	-180	-166.6	21.8	0	0	0	113	P284	D262-P284 HydrophobicContact CB-CB 3.66Å; D262-P284 HydrophobicContact CB-CG 4.4Å
263	A	97.3	Very high	97.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	20%	0.204	C	C	.	.	S	Bend	trans	-132.7	90.9	177.9	0	0	0	0	0	110.4	F261 W265 G367 D371 W372	F261-A263 PolarHBondContact O-N 3.4Å; A263-W265 PolarHBondContact O-N 2.85Å; A263-G367 PolarHBondContact O-N 2.97Å; A263-D371 HydrophobicContact CB-CB 3.83Å; A263-W372 HydrophobicContact CB-CB 3.94Å
264	N	96.6	Very high	97.2	Very high	88 Å²	88	41.2 Å²	41.2	47%	0.471	20%	0.204	S	C	.	.	S	Bend	trans	51.4	42.1	-174.5	-166.5	36.7	0	0	0	112	T267 C323 P366	N264-T267 PolarHBondContact ND2-OG1 2.94Å; N264-T267 VanDerWaalsContact ND2-OG1 3.11Å; N264-T267 WeakPolarHBondContact O-CG2 3.19Å; N264-T267 PolarHBondContact O-OG1 3.46Å; N264-T267 WeakPolarHBondContact OD1-CG2 3.13Å; N264-C323 HydrophobicContact CB-CB 3.82Å; N264-C323 PolarHBondContact ND2-O 3.38Å; N264-P366 WeakPolarHBondContact O-CB 3.04Å
265	W	98	Very high	97	Very high	69 Å²	69	44.4 Å²	44.4	26%	0.261	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.8	-163.3	172.8	83.7	0	0	0	114	R259 A263 T267 C280 G281 F283 P284	R259-W265 VanDerWaalsContact O-CD1 3.3Å; A263-W265 PolarHBondContact O-N 2.85Å; W265-T267 PolarHBondContact O-N 3.19Å; W265-T267 VanDerWaalsContact O-N 3.09Å; W265-C280 HydrophobicContact CZ2-CB 4.32Å; W265-C280 VanDerWaalsContact CZ2-SG 3.55Å; W265-C280 PolarHBondContact NE1-O 2.93Å; W265-G281 WeakPolarHBondContact CZ2-O 3.25Å; W265-F283 VanDerWaalsContact CZ2-CA 3.42Å; W265-P284 HydrophobicContact CB-CB 4.42Å; W265-P284 HydrophobicContact CB-CG 3.83Å; W265-P284 HydrophobicContact CD2-CG 3.71Å; W265-P284 HydrophobicContact CE3-CG 4.03Å; W265-P284 HydrophobicContact CG-CB 4.18Å; W265-P284 HydrophobicContact CG-CG 3.63Å
266	C	97.1	Very high	96.8	Very high	32 Å²	32	46.1 Å²	46.1	22%	0.216	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	28.7	175.8	-146.4	0	0	0	0	116.4	C280	C266-C280 HydrophobicContact CB-CB 3.57Å; C266-C280 WeakPolarHBondContact CB-SG 3.34Å; C266-C280 WeakPolarHBondContact SG-CB 3.35Å; C266-C280 CovalentContact SG-SG 2.03Å; C266-C280 PolarHBondContact SG-SG 3.47Å
267	T	96.1	Very high	96.6	Very high	53 Å²	53	48.9 Å²	48.9	33%	0.325	25%	0.247	S	C	.	.	S	Bend	trans	-85.3	-165.2	169.5	60.5	0	0	0	0	111.3	N264 W265 G269 A270 P366	N264-T267 PolarHBondContact ND2-OG1 2.94Å; N264-T267 VanDerWaalsContact ND2-OG1 3.11Å; N264-T267 WeakPolarHBondContact O-CG2 3.19Å; N264-T267 PolarHBondContact O-OG1 3.46Å; N264-T267 WeakPolarHBondContact OD1-CG2 3.13Å; W265-T267 PolarHBondContact O-N 3.19Å; W265-T267 VanDerWaalsContact O-N 3.09Å; T267-G269 PolarHBondContact O-N 3.14Å; T267-G269 VanDerWaalsContact O-N 3.14Å; T267-A270 PolarHBondContact O-N 3.42Å; T267-A270 VanDerWaalsContact O-N 3.16Å; T267-P366 WeakPolarHBondContact O-CG 3.2Å; T267-P366 VanDerWaalsContact OG1-CB 3.3Å; T267-P366 WeakPolarHBondContact OG1-CB 3.31Å; T267-P366 WeakPolarHBondContact OG1-CG 3.33Å
268	K	94.4	Very high	96.5	Very high	172 Å²	172	48.8 Å²	48.8	75%	0.748	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	120.1	-178	-176.6	179.6	178.5	-179.3	0	110.9	L364 P366	K268-L364 HydrophobicContact CD-CD1 4.31Å; K268-P366 WeakPolarHBondContact O-CD 3.41Å
269	G	93.8	Very high	96.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.1	1.9	-177.7	0	0	0	0	0	114.4	Y62 R259 T267 L364	Y62-G269 VanDerWaalsContact OH-C 3.27Å; Y62-G269 WeakPolarHBondContact OH-CA 3.34Å; Y62-G269 PolarHBondContact OH-O 3.37Å; R259-G269 PolarHBondContact NE-O 3.33Å; T267-G269 PolarHBondContact O-N 3.14Å; T267-G269 VanDerWaalsContact O-N 3.14Å; G269-L364 WeakPolarHBondContact CA-O 3.48Å
270	A	96.9	Very high	96.5	Very high	13 Å²	13	48.6 Å²	48.6	11%	0.107	25%	0.245	C	C	.	.	S	Bend	trans	-127.9	169.5	166.2	0	0	0	0	0	109.7	R259 T267 C280 P366	R259-A270 HydrophobicContact CB-CB 4.25Å; R259-A270 HydrophobicContact CG-CB 4.24Å; T267-A270 PolarHBondContact O-N 3.42Å; T267-A270 VanDerWaalsContact O-N 3.16Å; A270-C280 HydrophobicContact CB-CB 4.04Å; A270-P366 HydrophobicContact CB-CG 3.97Å
271	S	96.5	Very high	96.4	Very high	11 Å²	11	48.8 Å²	48.8	8%	0.077	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-122.6	143.7	175.4	-179.3	0	0	0	0	111.8	R273 D276 I278 Y279 C280	S271-R273 VanDerWaalsContact C-N 3.34Å; S271-R273 PolarHBondContact OG-N 3.16Å; S271-D276 VanDerWaalsContact CB-OD2 3.24Å; S271-D276 WeakPolarHBondContact CB-OD2 3.49Å; S271-D276 VanDerWaalsContact OG-CG 3.31Å; S271-D276 PolarHBondContact OG-OD2 3.48Å; S271-I278 PolarHBondContact N-O 3.36Å; S271-Y279 CarbonylContact O-C 3.59Å; S271-Y279 VanDerWaalsContact O-CA 3.27Å; S271-Y279 WeakPolarHBondContact O-CA 3.49Å; S271-Y279 WeakPolarHBondContact O-CD2 3.24Å; S271-C280 PolarHBondContact O-N 3.12Å; S271-C280 PolarHBondContact O-SG 3.09Å
272	N	95.8	Very high	96.3	Very high	125 Å²	125	53.2 Å²	53.2	67%	0.668	27%	0.268	S	S	*	.	S	Bend	trans	-91.9	5.3	169.4	67.2	-6.6	0	0	0	112.8	Y279	N272-Y279 WeakPolarHBondContact O-CE2 3.26Å
273	R	95.2	Very high	96.2	Very high	154 Å²	154	54 Å²	54	58%	0.581	27%	0.267	S	S	*	.	S	Bend	trans	-93.9	119.8	178.3	-61.3	-175.2	-63.4	-156	-2.6	110	S271 C275 D276 Y279	S271-R273 VanDerWaalsContact C-N 3.34Å; S271-R273 PolarHBondContact OG-N 3.16Å; R273-C275 PolarHBondContact O-N 3.13Å; R273-D276 IonicContact CZ-OD1 2.64Å; R273-D276 IonicContact CZ-OD2 3.63Å; R273-D276 VanDerWaalsContact CZ-OD2 3.3Å; R273-D276 IonicContact NE-OD1 3.89Å; R273-D276 IonicContact NE-OD2 2.96Å; R273-D276 PolarHBondContact NE-OD2 3.06Å; R273-D276 IonicContact NH2-OD1 2.84Å; R273-D276 IonicContact NH2-OD2 3.44Å; R273-D276 PolarHBondContact NH2-OD2 2.87Å; R273-D276 PolarHBondContact O-N 3.44Å; R273-Y279 VanDerWaalsContact C-CD2 3.4Å; R273-Y279 WeakPolarHBondContact O-CD2 3.49Å
274	P	95.9	Very high	96.3	Very high	22 Å²	22	55.9 Å²	55.9	14%	0.143	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23	-175.1	-30.1	36.4	0	0	0	116.3	K242 C252 Y279	K242-P274 PolarHBondContact NZ-O 3.35Å; C252-P274 HydrophobicContact CB-CB 4.24Å; P274-Y279 HydrophobicContact CB-CD1 4.43Å; P274-Y279 HydrophobicContact CB-CE1 4.26Å; P274-Y279 HydrophobicContact CB-CE2 4.43Å; P274-Y279 HydrophobicContact CG-CE1 4.41Å; P274-Y279 HydrophobicContact CG-CE2 3.99Å
275	C	93.6	Very high	96.4	Very high	71 Å²	71	52.7 Å²	52.7	48%	0.48	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.9	-179.4	-54.9	0	0	0	0	113.7	C252 R273	C252-C275 HydrophobicContact CB-CB 3.85Å; C252-C275 WeakPolarHBondContact CB-SG 3.27Å; C252-C275 WeakPolarHBondContact SG-CA 3.22Å; C252-C275 WeakPolarHBondContact SG-CB 3.48Å; C252-C275 CovalentContact SG-SG 2.03Å; C252-C275 PolarHBondContact SG-SG 3.44Å; R273-C275 PolarHBondContact O-N 3.13Å
276	D	94.8	Very high	96.4	Very high	38 Å²	38	50.6 Å²	50.6	20%	0.203	26%	0.257	C	S	.	.	S	Bend	trans	-75.7	146	-179.9	-66.8	-0.3	0	0	0	109.8	K242 S271 R273 I278 Y279	K242-D276 PolarHBondContact NZ-O 3.14Å; K242-D276 VanDerWaalsContact NZ-O 3.09Å; S271-D276 VanDerWaalsContact CB-OD2 3.24Å; S271-D276 WeakPolarHBondContact CB-OD2 3.49Å; S271-D276 VanDerWaalsContact OG-CG 3.31Å; S271-D276 PolarHBondContact OG-OD2 3.48Å; R273-D276 IonicContact CZ-OD1 2.64Å; R273-D276 IonicContact CZ-OD2 3.63Å; R273-D276 VanDerWaalsContact CZ-OD2 3.3Å; R273-D276 IonicContact NE-OD1 3.89Å; R273-D276 IonicContact NE-OD2 2.96Å; R273-D276 PolarHBondContact NE-OD2 3.06Å; R273-D276 IonicContact NH2-OD1 2.84Å; R273-D276 IonicContact NH2-OD2 3.44Å; R273-D276 PolarHBondContact NH2-OD2 2.87Å; R273-D276 PolarHBondContact O-N 3.44Å; D276-I278 PolarHBondContact O-N 3.28Å; D276-Y279 WeakPolarHBondContact O-CB 3.36Å; D276-Y279 PolarHBondContact O-N 3.41Å
277	E	95.6	Very high	96.5	Very high	58 Å²	58	49.5 Å²	49.5	27%	0.271	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.3	178.6	-75	-60.5	131.9	0	0	113	R241 D256	R241-E277 WeakPolarHBondContact CB-OE2 3.03Å; D256-E277 WeakPolarHBondContact CB-O 3.33Å
278	I	97	Very high	96.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	27.3	177.9	57.3	165.9	0	0	0	112.2	T58 S59 E61 R259 S271 D276 C280	T58-I278 HydrophobicContact CG2-CG2 3.63Å; S59-I278 WeakPolarHBondContact OG-CD1 3.5Å; E61-I278 WeakPolarHBondContact OE1-CD1 3.22Å; R259-I278 HydrophobicContact CG-CB 4.42Å; S271-I278 PolarHBondContact N-O 3.36Å; D276-I278 PolarHBondContact O-N 3.28Å; I278-C280 PolarHBondContact O-N 3Å
279	Y	97.8	Very high	96.8	Very high	15 Å²	15	40.2 Å²	40.2	6%	0.059	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-59.5	125.8	177.2	176.1	-125	0	0	0	110.9	T255 D256 S271 N272 R273 P274 D276 G281	T255-Y279 WeakPolarHBondContact CG2-O 3.36Å; T255-Y279 WeakPolarHBondContact OG1-CE1 3.24Å; D256-Y279 WeakPolarHBondContact CB-O 3.27Å; D256-Y279 PolarHBondContact N-O 3.2Å; S271-Y279 CarbonylContact O-C 3.59Å; S271-Y279 VanDerWaalsContact O-CA 3.27Å; S271-Y279 WeakPolarHBondContact O-CA 3.49Å; S271-Y279 WeakPolarHBondContact O-CD2 3.24Å; N272-Y279 WeakPolarHBondContact O-CE2 3.26Å; R273-Y279 VanDerWaalsContact C-CD2 3.4Å; R273-Y279 WeakPolarHBondContact O-CD2 3.49Å; P274-Y279 HydrophobicContact CB-CD1 4.43Å; P274-Y279 HydrophobicContact CB-CE1 4.26Å; P274-Y279 HydrophobicContact CB-CE2 4.43Å; P274-Y279 HydrophobicContact CG-CE1 4.41Å; P274-Y279 HydrophobicContact CG-CE2 3.99Å; D276-Y279 WeakPolarHBondContact O-CB 3.36Å; D276-Y279 PolarHBondContact O-N 3.41Å; Y279-G281 PolarHBondContact O-N 3.2Å; Y279-G281 PolarHBondContact OH-O 2.93Å
280	C	97.9	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.			trans	-83.1	-5.3	-171.2	66.7	0	0	0	0	115	R259 N260 W265 C266 A270 S271 I278	R259-C280 HydrophobicContact CB-CB 4.29Å; N260-C280 PolarHBondContact ND2-O 3.07Å; W265-C280 HydrophobicContact CZ2-CB 4.32Å; W265-C280 VanDerWaalsContact CZ2-SG 3.55Å; W265-C280 PolarHBondContact NE1-O 2.93Å; C266-C280 HydrophobicContact CB-CB 3.57Å; C266-C280 WeakPolarHBondContact CB-SG 3.34Å; C266-C280 WeakPolarHBondContact SG-CB 3.35Å; C266-C280 CovalentContact SG-SG 2.03Å; C266-C280 PolarHBondContact SG-SG 3.47Å; A270-C280 HydrophobicContact CB-CB 4.04Å; S271-C280 PolarHBondContact O-N 3.12Å; S271-C280 PolarHBondContact O-SG 3.09Å; I278-C280 PolarHBondContact O-N 3Å
281	G	97.3	Very high	97.1	Very high	4 Å²	4	44.1 Å²	44.1	4%	0.041	22%	0.223	C	C	.	.			trans	88.3	-176	-173.8	0	0	0	0	0	112.8	W265 Y279	W265-G281 WeakPolarHBondContact CZ2-O 3.25Å; Y279-G281 PolarHBondContact O-N 3.2Å; Y279-G281 PolarHBondContact OH-O 2.93Å
282	Q	96.3	Very high	97.3	Very high	93 Å²	93	43.9 Å²	43.9	44%	0.435	22%	0.222	S	C	.	.	S	Bend	trans	-81	-29.6	-177	-66.2	-164.7	-51	0	0	113	S286	Q282-S286 PolarHBondContact N-OG 3.4Å
283	F	97.4	Very high	97.4	Very high	114 Å²	114	38 Å²	38	50%	0.5	19%	0.19	S	C	.	.	S	Bend	trans	-161.3	166.5	178.3	50.3	-92.1	0	0	0	108.1	N260 W265 E285 S286	N260-F283 PolarHBondContact ND2-O 2.83Å; W265-F283 VanDerWaalsContact CZ2-CA 3.42Å; F283-E285 PolarHBondContact O-N 2.61Å; F283-S286 VanDerWaalsContact CE2-CA 3.48Å; F283-S286 VanDerWaalsContact O-CB 3.25Å; F283-S286 WeakPolarHBondContact O-CB 3.45Å; F283-S286 PolarHBondContact O-N 3.22Å; F283-S286 VanDerWaalsContact O-N 3.11Å; F283-S286 PolarHBondContact O-OG 3.46Å
284	P	98.5	Very high	97.6	Very high	40 Å²	40	30.6 Å²	30.6	26%	0.26	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	131.8	175.5	-20.9	29.5	0	0	0	111.5	N260 D262 W265 S286	N260-P284 CarbonylContact O-C 3.52Å; N260-P284 VanDerWaalsContact O-CA 3.32Å; N260-P284 WeakPolarHBondContact O-CA 3.33Å; D262-P284 HydrophobicContact CB-CB 3.66Å; D262-P284 HydrophobicContact CB-CG 4.4Å; W265-P284 HydrophobicContact CB-CB 4.42Å; W265-P284 HydrophobicContact CB-CG 3.83Å; W265-P284 HydrophobicContact CD2-CG 3.71Å; W265-P284 HydrophobicContact CE3-CG 4.03Å; W265-P284 HydrophobicContact CG-CB 4.18Å; W265-P284 HydrophobicContact CG-CG 3.63Å; P284-S286 PolarHBondContact O-N 2.72Å
285	E	98.4	Very high	97.7	Very high	21 Å²	21	33.1 Å²	33.1	10%	0.098	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	29.2	-179.9	-51.1	171.9	-164.2	0	0	112.6	N260 F283 E287 A294 R298 W372	N260-E285 PolarHBondContact O-N 3.39Å; N260-E285 VanDerWaalsContact OD1-CA 3.24Å; N260-E285 WeakPolarHBondContact OD1-CA 3.39Å; N260-E285 PolarHBondContact OD1-N 2.83Å; F283-E285 PolarHBondContact O-N 2.61Å; E285-E287 PolarHBondContact O-N 3.45Å; E285-A294 HydrophobicContact CG-CB 4.24Å; E285-A294 WeakPolarHBondContact OE2-CB 3.26Å; E285-R298 IonicContact OE1-CZ 3.64Å; E285-R298 IonicContact OE1-NH1 3.81Å; E285-R298 PolarHBondContact OE1-NH1 2.74Å; E285-R298 IonicContact OE1-NH2 2.8Å; E285-R298 IonicContact OE2-CZ 2.7Å; E285-R298 IonicContact OE2-NH1 3.2Å; E285-R298 PolarHBondContact OE2-NH1 3.16Å; E285-R298 IonicContact OE2-NH2 2.61Å; E285-R298 PolarHBondContact OE2-NH2 2.9Å; E285-W372 PolarHBondContact OE1-NE1 3.43Å
286	S	98.3	Very high	98	Very high	26 Å²	26	30.7 Å²	30.7	18%	0.182	16%	0.156	C	C	.	.			trans	-63.8	-24.5	173.9	62.9	0	0	0	0	113.8	N260 Q282 F283 P284	N260-S286 PolarHBondContact ND2-OG 3.31Å; N260-S286 PolarHBondContact OD1-N 2.98Å; N260-S286 VanDerWaalsContact OD1-N 3.11Å; Q282-S286 PolarHBondContact N-OG 3.4Å; F283-S286 VanDerWaalsContact CE2-CA 3.48Å; F283-S286 VanDerWaalsContact O-CB 3.25Å; F283-S286 WeakPolarHBondContact O-CB 3.45Å; F283-S286 PolarHBondContact O-N 3.22Å; F283-S286 VanDerWaalsContact O-N 3.11Å; F283-S286 PolarHBondContact O-OG 3.46Å; P284-S286 PolarHBondContact O-N 2.72Å
287	E	98.8	Very high	98.1	Very high	9 Å²	9	28.9 Å²	28.9	4%	0.042	15%	0.146	C	C	.	.	S	Bend	trans	-87.8	130.4	-179.1	-51	-48.6	126.3	0	0	110.6	N243 S245 T255 L257 N260 E285 E289 A290 E291	N243-E287 PolarHBondContact ND2-OE2 3.09Å; S245-E287 WeakPolarHBondContact CB-OE2 3.23Å; S245-E287 PolarHBondContact OG-OE2 2.88Å; T255-E287 WeakPolarHBondContact CB-OE1 3.33Å; T255-E287 HydrophobicContact CG2-CG 3.49Å; T255-E287 VanDerWaalsContact CG2-CG 3.49Å; T255-E287 PolarHBondContact OG1-OE1 3.29Å; L257-E287 HydrophobicContact CD2-CB 3.46Å; L257-E287 VanDerWaalsContact CD2-CB 3.46Å; L257-E287 HydrophobicContact CD2-CG 3.73Å; N260-E287 HydrophobicContact CB-CG 4.36Å; N260-E287 WeakPolarHBondContact OD1-CG 3.05Å; N260-E287 PolarHBondContact OD1-N 2.94Å; N260-E287 VanDerWaalsContact OD1-N 3.12Å; E285-E287 PolarHBondContact O-N 3.45Å; E287-E289 PolarHBondContact O-N 2.87Å; E287-E289 VanDerWaalsContact O-N 3.14Å; E287-A290 HydrophobicContact CB-CB 4.29Å; E287-A290 PolarHBondContact O-N 2.82Å; E287-E291 PolarHBondContact O-N 2.93Å
288	P	98.8	Very high	98.3	Very high	29 Å²	29	30.4 Å²	30.4	19%	0.188	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-24.4	-175	28.2	-36.6	0	0	0	112.8	S152 A292	S152-P288 WeakPolarHBondContact O-CB 3.39Å; P288-A292 VanDerWaalsContact O-CB 3.25Å; P288-A292 WeakPolarHBondContact O-CB 3.23Å; P288-A292 PolarHBondContact O-N 3.1Å
289	E	98.9	Very high	98.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-45.9	172	-57.7	83.2	-177.1	0	0	112	S153 Y154 L159 N243 L257 E287 V293	S153-E289 VanDerWaalsContact CA-OE1 3.24Å; S153-E289 WeakPolarHBondContact CA-OE1 3.35Å; S153-E289 WeakPolarHBondContact CB-OE1 3.37Å; Y154-E289 PolarHBondContact N-OE1 3.3Å; L159-E289 HydrophobicContact CD1-CG 4.45Å; L159-E289 HydrophobicContact CD2-CB 4.15Å; L159-E289 HydrophobicContact CD2-CG 4.42Å; N243-E289 PolarHBondContact ND2-OE2 3.24Å; L257-E289 HydrophobicContact CD1-CB 3.92Å; L257-E289 HydrophobicContact CD1-CG 4.39Å; L257-E289 HydrophobicContact CD2-CB 4.16Å; E287-E289 PolarHBondContact O-N 2.87Å; E287-E289 VanDerWaalsContact O-N 3.14Å; E289-V293 PolarHBondContact O-N 2.7Å
290	A	98.8	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-44.3	178	0	0	0	0	0	110.8	M225 L257 N260 F261 E287 A292 V293 A294	M225-A290 HydrophobicContact CE-CB 4.42Å; L257-A290 HydrophobicContact CD2-CB 4.44Å; N260-A290 HydrophobicContact CB-CB 4.5Å; F261-A290 HydrophobicContact CE1-CB 4.5Å; F261-A290 HydrophobicContact CE2-CB 4.16Å; F261-A290 HydrophobicContact CZ-CB 4.11Å; E287-A290 HydrophobicContact CB-CB 4.29Å; E287-A290 PolarHBondContact O-N 2.82Å; A290-A292 VanDerWaalsContact C-N 3.34Å; A290-A292 PolarHBondContact O-N 3.48Å; A290-V293 PolarHBondContact O-N 3.35Å; A290-A294 VanDerWaalsContact O-CB 3.27Å; A290-A294 WeakPolarHBondContact O-CB 3.44Å; A290-A294 PolarHBondContact O-N 3Å
291	E	98.8	Very high	98	Very high	97 Å²	97	40.7 Å²	40.7	45%	0.453	21%	0.206	S	C	.	.	H	α-helix	trans	-57.3	-44.8	175.5	-176.3	-174.2	-150.4	0	0	111.7	E287 V293 A294 N295	E287-E291 PolarHBondContact O-N 2.93Å; E291-V293 PolarHBondContact O-N 3.4Å; E291-A294 PolarHBondContact O-N 2.72Å; E291-N295 WeakPolarHBondContact CG-ND2 3.47Å; E291-N295 VanDerWaalsContact O-CB 3.27Å; E291-N295 WeakPolarHBondContact O-CB 3.23Å; E291-N295 VanDerWaalsContact O-CG 3.25Å; E291-N295 PolarHBondContact O-N 2.81Å; E291-N295 PolarHBondContact O-ND2 3.13Å
292	A	98.9	Very high	97.8	Very high	6 Å²	6	45.9 Å²	45.9	5%	0.05	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-44.9	179.8	0	0	0	0	0	112.3	I150 L159 P288 A290 F296	I150-A292 HydrophobicContact CD1-CB 4.39Å; I150-A292 HydrophobicContact CG1-CB 4.39Å; L159-A292 HydrophobicContact CD2-CB 4.39Å; P288-A292 VanDerWaalsContact O-CB 3.25Å; P288-A292 WeakPolarHBondContact O-CB 3.23Å; P288-A292 PolarHBondContact O-N 3.1Å; A290-A292 VanDerWaalsContact C-N 3.34Å; A290-A292 PolarHBondContact O-N 3.48Å; A292-F296 WeakPolarHBondContact O-CB 3.26Å; A292-F296 PolarHBondContact O-N 3.26Å
293	V	98.9	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-45	176.1	172.3	0	0	0	0	110.7	I150 W177 L222 M225 F261 E289 A290 E291 N295 F296 L297	I150-V293 HydrophobicContact CD1-CG2 4.1Å; W177-V293 HydrophobicContact CZ2-CG1 3.83Å; W177-V293 HydrophobicContact CZ2-CG2 4.18Å; L222-V293 HydrophobicContact CD2-CG2 3.56Å; M225-V293 HydrophobicContact CE-CB 4.24Å; M225-V293 HydrophobicContact CE-CG2 3.93Å; M225-V293 HydrophobicContact CG-CG2 4.1Å; M225-V293 HydrophobicContact SD-CG2 4.02Å; F261-V293 HydrophobicContact CE1-CG1 4.41Å; F261-V293 HydrophobicContact CZ-CG1 4.4Å; E289-V293 PolarHBondContact O-N 2.7Å; A290-V293 PolarHBondContact O-N 3.35Å; E291-V293 PolarHBondContact O-N 3.4Å; V293-N295 PolarHBondContact O-N 2.89Å; V293-F296 PolarHBondContact O-N 3.39Å; V293-L297 HydrophobicContact CG1-CD1 3.85Å; V293-L297 PolarHBondContact O-N 3.27Å
294	A	98.8	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-43.9	179.6	0	0	0	0	0	111.9	F261 E285 A290 E291 L297 R298 W372	F261-A294 HydrophobicContact CE1-CB 4.36Å; E285-A294 HydrophobicContact CG-CB 4.24Å; E285-A294 WeakPolarHBondContact OE2-CB 3.26Å; A290-A294 VanDerWaalsContact O-CB 3.27Å; A290-A294 WeakPolarHBondContact O-CB 3.44Å; A290-A294 PolarHBondContact O-N 3Å; E291-A294 PolarHBondContact O-N 2.72Å; A294-L297 PolarHBondContact O-N 2.81Å; A294-R298 WeakPolarHBondContact O-CB 3.47Å; A294-R298 WeakPolarHBondContact O-CG 3.43Å; A294-R298 PolarHBondContact O-N 3.26Å; A294-W372 VanDerWaalsContact CA-CH2 3.41Å; A294-W372 HydrophobicContact CB-CH2 3.85Å; A294-W372 HydrophobicContact CB-CZ2 3.56Å; A294-W372 WeakPolarHBondContact O-CH2 3.45Å
295	N	98.8	Very high	97.8	Very high	75 Å²	75	38 Å²	38	40%	0.401	20%	0.197	S	C	.	.	H	α-helix	trans	-63.4	-44.1	176.1	-76.1	-22.1	0	0	0	112.3	E291 V293 R298 S299	E291-N295 WeakPolarHBondContact CG-ND2 3.47Å; E291-N295 VanDerWaalsContact O-CB 3.27Å; E291-N295 WeakPolarHBondContact O-CB 3.23Å; E291-N295 VanDerWaalsContact O-CG 3.25Å; E291-N295 PolarHBondContact O-N 2.81Å; E291-N295 PolarHBondContact O-ND2 3.13Å; V293-N295 PolarHBondContact O-N 2.89Å; N295-R298 PolarHBondContact O-N 2.67Å; N295-R298 PolarHBondContact OD1-NH2 3.32Å; N295-S299 PolarHBondContact O-N 3.03Å; N295-S299 VanDerWaalsContact O-N 3.09Å
296	F	98.7	Very high	97.8	Very high	20 Å²	20	37 Å²	37	9%	0.088	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-47.7	176	-177.9	-87.2	0	0	0	111.5	I150 W177 Y220 A292 V293 S299 H300	I150-F296 HydrophobicContact CB-CD2 4.37Å; I150-F296 HydrophobicContact CG2-CB 4.45Å; I150-F296 HydrophobicContact CG2-CD2 3.49Å; I150-F296 VanDerWaalsContact CG2-CD2 3.49Å; I150-F296 HydrophobicContact CG2-CE2 4.01Å; I150-F296 HydrophobicContact CG2-CG 4.15Å; W177-F296 AromaticContact CE3-CD1 3.79Å; W177-F296 HydrophobicContact CE3-CD1 3.79Å; W177-F296 AromaticContact CE3-CE1 3.63Å; W177-F296 HydrophobicContact CE3-CE1 3.63Å; W177-F296 HydrophobicContact CH2-CD1 4.15Å; W177-F296 AromaticContact CZ3-CD1 3.35Å; W177-F296 HydrophobicContact CZ3-CD1 3.35Å; W177-F296 AromaticContact CZ3-CE1 3.4Å; W177-F296 HydrophobicContact CZ3-CE1 3.4Å; W177-F296 VanDerWaalsContact CZ3-CE1 3.4Å; W177-F296 HydrophobicContact CZ3-CG 4.18Å; W177-F296 HydrophobicContact CZ3-CZ 4.24Å; Y220-F296 HydrophobicContact CD1-CE1 4.36Å; Y220-F296 AromaticContact CD1-CZ 3.75Å; Y220-F296 HydrophobicContact CD1-CZ 3.75Å; Y220-F296 HydrophobicContact CD2-CE1 4.25Å; Y220-F296 HydrophobicContact CD2-CZ 4.29Å; Y220-F296 AromaticContact CE1-CZ 3.84Å; Y220-F296 HydrophobicContact CE1-CZ 3.84Å; Y220-F296 HydrophobicContact CE2-CZ 4.36Å; Y220-F296 HydrophobicContact CG-CE1 4.14Å; Y220-F296 AromaticContact CG-CZ 4Å; Y220-F296 HydrophobicContact CG-CZ 4Å; A292-F296 WeakPolarHBondContact O-CB 3.26Å; A292-F296 PolarHBondContact O-N 3.26Å; V293-F296 PolarHBondContact O-N 3.39Å; F296-S299 PolarHBondContact O-N 2.95Å; F296-S299 PolarHBondContact O-OG 2.77Å; F296-H300 AromaticContact CD1-ND1 3.92Å; F296-H300 AromaticContact CD2-CE1 3.78Å; F296-H300 AromaticContact CD2-ND1 3.92Å; F296-H300 AromaticContact CE1-ND1 3.77Å; F296-H300 AromaticContact CE2-CE1 3.41Å; F296-H300 VanDerWaalsContact CE2-CE1 3.41Å; F296-H300 WeakPolarHBondContact CE2-CE1 3.45Å; F296-H300 AromaticContact CE2-ND1 3.8Å; F296-H300 AromaticContact CG-ND1 3.99Å; F296-H300 AromaticContact CZ-CE1 3.61Å; F296-H300 AromaticContact CZ-ND1 3.72Å; F296-H300 PolarHBondContact O-N 3.49Å; F296-H300 PolarHBondContact O-ND1 3.09Å
297	L	98.6	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.2	-36.8	-178.5	-73.9	171.7	0	0	0	112	W177 V293 A294 S299 H300 K301 V304 Y307 W372 L376 I378	W177-L297 HydrophobicContact CB-CD2 4.02Å; W177-L297 HydrophobicContact CD2-CD1 4.42Å; W177-L297 HydrophobicContact CD2-CD2 3.89Å; W177-L297 HydrophobicContact CD2-CG 4.37Å; W177-L297 HydrophobicContact CE3-CD2 4.08Å; W177-L297 HydrophobicContact CG-CD1 4.44Å; W177-L297 HydrophobicContact CG-CD2 3.86Å; V293-L297 HydrophobicContact CG1-CD1 3.85Å; V293-L297 PolarHBondContact O-N 3.27Å; A294-L297 PolarHBondContact O-N 2.81Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-S299 PolarHBondContact O-N 3.49Å; L297-H300 CarbonylContact O-C 3.38Å; L297-H300 PolarHBondContact O-N 3.13Å; L297-H300 VanDerWaalsContact O-N 3.09Å; L297-K301 WeakPolarHBondContact O-CA 3.47Å; L297-K301 PolarHBondContact O-N 3.3Å; L297-V304 HydrophobicContact CD2-CG1 4.31Å; L297-V304 HydrophobicContact CD2-CG2 4.2Å; L297-Y307 HydrophobicContact CD1-CD2 3.88Å; L297-Y307 HydrophobicContact CD1-CE2 3.76Å; L297-W372 HydrophobicContact CB-CH2 3.76Å; L297-W372 HydrophobicContact CB-CZ3 3.76Å; L297-W372 HydrophobicContact CD1-CH2 4.48Å; L297-W372 HydrophobicContact CD1-CZ3 3.71Å; L297-W372 HydrophobicContact CG-CZ3 4.39Å; L297-L376 HydrophobicContact CB-CD2 4.15Å; L297-I378 HydrophobicContact CD2-CD1 4.22Å
298	R	98.4	Very high	97.8	Very high	90 Å²	90	35.4 Å²	35.4	34%	0.34	18%	0.182	S	C	.	.	H	α-helix	trans	-58.1	-41.3	171.9	-81.2	-172.2	-75.4	-106.7	1.2	112.2	E285 A294 N295 H300 W372 L376	E285-R298 IonicContact OE1-CZ 3.64Å; E285-R298 IonicContact OE1-NH1 3.81Å; E285-R298 PolarHBondContact OE1-NH1 2.74Å; E285-R298 IonicContact OE1-NH2 2.8Å; E285-R298 IonicContact OE2-CZ 2.7Å; E285-R298 IonicContact OE2-NH1 3.2Å; E285-R298 PolarHBondContact OE2-NH1 3.16Å; E285-R298 IonicContact OE2-NH2 2.61Å; E285-R298 PolarHBondContact OE2-NH2 2.9Å; A294-R298 WeakPolarHBondContact O-CB 3.47Å; A294-R298 WeakPolarHBondContact O-CG 3.43Å; A294-R298 PolarHBondContact O-N 3.26Å; N295-R298 PolarHBondContact O-N 2.67Å; N295-R298 PolarHBondContact OD1-NH2 3.32Å; R298-H300 VanDerWaalsContact C-N 3.26Å; R298-H300 PolarHBondContact O-N 2.03Å; R298-W372 HydrophobicContact CG-CH2 4.34Å; R298-W372 HydrophobicContact CG-CZ2 4.08Å; R298-L376 HydrophobicContact CG-CD1 3.98Å; R298-L376 HydrophobicContact CG-CD2 4.33Å
299	S	97.6	Very high	97.8	Very high	88 Å²	88	34 Å²	34	62%	0.615	17%	0.173	S	C	*	.	H	α-helix	trans	-75.2	-13.6	178.2	74.2	0	0	0	0	113.9	N295 F296 L297	N295-S299 PolarHBondContact O-N 3.03Å; N295-S299 VanDerWaalsContact O-N 3.09Å; F296-S299 PolarHBondContact O-N 2.95Å; F296-S299 PolarHBondContact O-OG 2.77Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-S299 PolarHBondContact O-N 3.49Å
300	H	96.7	Very high	97.8	Very high	49 Å²	49	34 Å²	34	23%	0.227	17%	0.173	C	C	.	.	H	α-helix	trans	-119.6	11.6	-179	-63.2	88.6	0	0	0	113.6	F296 L297 R298 D302 S303 V304	F296-H300 AromaticContact CD1-ND1 3.92Å; F296-H300 AromaticContact CD2-CE1 3.78Å; F296-H300 AromaticContact CD2-ND1 3.92Å; F296-H300 AromaticContact CE1-ND1 3.77Å; F296-H300 AromaticContact CE2-CE1 3.41Å; F296-H300 VanDerWaalsContact CE2-CE1 3.41Å; F296-H300 WeakPolarHBondContact CE2-CE1 3.45Å; F296-H300 AromaticContact CE2-ND1 3.8Å; F296-H300 AromaticContact CG-ND1 3.99Å; F296-H300 AromaticContact CZ-CE1 3.61Å; F296-H300 AromaticContact CZ-ND1 3.72Å; F296-H300 PolarHBondContact O-N 3.49Å; F296-H300 PolarHBondContact O-ND1 3.09Å; L297-H300 CarbonylContact O-C 3.38Å; L297-H300 PolarHBondContact O-N 3.13Å; L297-H300 VanDerWaalsContact O-N 3.09Å; R298-H300 VanDerWaalsContact C-N 3.26Å; R298-H300 PolarHBondContact O-N 2.03Å; H300-D302 PolarHBondContact O-N 2.99Å; H300-D302 VanDerWaalsContact O-N 3.08Å; H300-S303 PolarHBondContact O-N 2.97Å; H300-S303 PolarHBondContact O-OG 2.95Å; H300-V304 HydrophobicContact CB-CG2 3.88Å; H300-V304 PolarHBondContact O-N 2.65Å
301	K	93.4	Very high	97.8	Very high	93 Å²	93	34 Å²	34	40%	0.404	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31	-173.7	69	177.7	-171.7	170.1	0	113.7	L297 L376	L297-K301 WeakPolarHBondContact O-CA 3.47Å; L297-K301 PolarHBondContact O-N 3.3Å; K301-L376 HydrophobicContact CB-CD1 4.36Å; K301-L376 HydrophobicContact CB-CD2 4.1Å; K301-L376 HydrophobicContact CB-CG 3.99Å; K301-L376 HydrophobicContact CD-CD1 4.12Å
302	D	93.1	Very high	97.8	Very high	114 Å²	114	29.5 Å²	29.5	61%	0.61	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-27.4	-179.7	-62.9	-39.8	0	0	0	111.7	R174 H300 K305	R174-D302 PolarHBondContact NH1-O 3.33Å; H300-D302 PolarHBondContact O-N 2.99Å; H300-D302 VanDerWaalsContact O-N 3.08Å; D302-K305 WeakPolarHBondContact O-CE 3.41Å; D302-K305 PolarHBondContact O-NZ 3.33Å
303	S	94.9	Very high	97.8	Very high	32 Å²	32	30.2 Å²	30.2	22%	0.224	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-39	-179.5	60.7	0	0	0	0	112.9	R174 A175 H300 K305	R174-S303 CarbonylContact C-O 3.52Å; R174-S303 VanDerWaalsContact CA-O 3.31Å; R174-S303 WeakPolarHBondContact CA-O 3.27Å; A175-S303 PolarHBondContact N-O 3.43Å; H300-S303 PolarHBondContact O-N 2.97Å; H300-S303 PolarHBondContact O-OG 2.95Å; S303-K305 PolarHBondContact O-N 3.46Å
304	V	97.7	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.1	177.5	-179.3	0	0	0	0	109.9	A175 W177 L297 H300 I378	A175-V304 HydrophobicContact CB-CG2 4.01Å; A175-V304 CarbonylContact O-C 3.51Å; A175-V304 WeakPolarHBondContact O-CA 3.32Å; W177-V304 HydrophobicContact CB-CG1 4.03Å; L297-V304 HydrophobicContact CD2-CG1 4.31Å; L297-V304 HydrophobicContact CD2-CG2 4.2Å; H300-V304 HydrophobicContact CB-CG2 3.88Å; H300-V304 PolarHBondContact O-N 2.65Å; V304-I378 HydrophobicContact CB-CD1 4.19Å; V304-I378 HydrophobicContact CG1-CD1 3.79Å; V304-I378 HydrophobicContact CG1-CG1 4.34Å; V304-I378 HydrophobicContact CG1-CG2 4.18Å
305	K	97.8	Very high	97.6	Very high	49 Å²	49	31.2 Å²	31.2	21%	0.213	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-16.2	-179	-60.2	-61.4	159.3	-148.6	0	114	R174 A175 M217 D302 S303 Y380 T423	R174-K305 HydrophobicContact CB-CG 3.99Å; R174-K305 HydrophobicContact CG-CG 4.09Å; A175-K305 PolarHBondContact O-N 2.91Å; M217-K305 HydrophobicContact CE-CB 4.44Å; D302-K305 WeakPolarHBondContact O-CE 3.41Å; D302-K305 PolarHBondContact O-NZ 3.33Å; S303-K305 PolarHBondContact O-N 3.46Å; K305-Y380 WeakPolarHBondContact O-CB 3.38Å; K305-Y380 WeakPolarHBondContact O-CD2 3.31Å; K305-T423 HydrophobicContact CB-CG2 4.16Å; K305-T423 HydrophobicContact CG-CG2 4.4Å
306	L	98.6	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.8	177.7	177	55.5	0	0	0	109.4	I176 W177 L308 Y380 F382 I415 A416 V419	I176-L306 CarbonylContact C-O 3.48Å; I176-L306 WeakPolarHBondContact CA-O 3.34Å; I176-L306 HydrophobicContact CB-CB 4.41Å; I176-L306 HydrophobicContact CD1-CD2 4.2Å; I176-L306 HydrophobicContact CG1-CB 4.15Å; I176-L306 HydrophobicContact CG1-CD2 4.22Å; I176-L306 HydrophobicContact CG2-CB 4.09Å; I176-L306 HydrophobicContact CG2-CD2 3.92Å; I176-L306 HydrophobicContact CG2-CG 3.96Å; W177-L306 PolarHBondContact N-O 2.95Å; L306-L308 HydrophobicContact CD1-CD2 3.8Å; L306-L308 HydrophobicContact CD1-CG 4.14Å; L306-L308 HydrophobicContact CD2-CD1 4.17Å; L306-L308 HydrophobicContact CD2-CG 4.39Å; L306-L308 HydrophobicContact CG-CD1 4.29Å; L306-L308 HydrophobicContact CG-CD2 4.19Å; L306-L308 HydrophobicContact CG-CG 3.98Å; L306-Y380 CarbonylContact C-O 3.58Å; L306-Y380 WeakPolarHBondContact CA-O 3.36Å; L306-Y380 WeakPolarHBondContact CD1-O 3.37Å; L306-F382 HydrophobicContact CD1-CD2 3.66Å; L306-F382 HydrophobicContact CD1-CE2 3.7Å; L306-I415 HydrophobicContact CD1-CG2 4.2Å; L306-I415 HydrophobicContact CD2-CG2 4.45Å; L306-A416 HydrophobicContact CD2-CB 3.94Å; L306-V419 HydrophobicContact CB-CG1 4.24Å; L306-V419 HydrophobicContact CD1-CG2 4.32Å; L306-V419 HydrophobicContact CD2-CB 4.48Å; L306-V419 HydrophobicContact CD2-CG2 4.45Å
307	Y	98.9	Very high	97.6	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.8	173.8	176.8	-88	0	0	0	109.5	W177 D179 L297 S369 D370 A373 Y380 S381 F382	W177-Y307 HydrophobicContact CB-CD2 4.36Å; W177-Y307 AromaticContact CD1-CD2 3.22Å; W177-Y307 AromaticContact CD1-CE2 3.22Å; W177-Y307 AromaticContact CG-CD2 4Å; W177-Y307 HydrophobicContact CG-CD2 4Å; W177-Y307 HydrophobicContact CG-CE2 4.26Å; W177-Y307 AromaticContact NE1-CD2 3.91Å; W177-Y307 AromaticContact NE1-CE2 3.4Å; D179-Y307 VanDerWaalsContact OD2-CE2 3.29Å; D179-Y307 WeakPolarHBondContact OD2-CE2 3.32Å; D179-Y307 PolarHBondContact OD2-OH 3.2Å; L297-Y307 HydrophobicContact CD1-CD2 3.88Å; L297-Y307 HydrophobicContact CD1-CE2 3.76Å; Y307-S369 WeakPolarHBondContact OH-CB 3.34Å; Y307-S369 PolarHBondContact OH-OG 2.62Å; Y307-D370 HydrophobicContact CE1-CB 4.22Å; Y307-A373 HydrophobicContact CD1-CB 3.86Å; Y307-A373 HydrophobicContact CD2-CB 3.72Å; Y307-A373 HydrophobicContact CE1-CB 4.32Å; Y307-A373 HydrophobicContact CE2-CB 4.23Å; Y307-A373 HydrophobicContact CG-CB 3.55Å; Y307-Y380 PolarHBondContact N-O 3.18Å; Y307-S381 WeakPolarHBondContact CD1-OG 3.45Å; Y307-S381 WeakPolarHBondContact O-CA 3.46Å; Y307-F382 PolarHBondContact O-N 2.96Å
308	L	98.9	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	114.4	179.1	-58.9	176.6	0	0	0	109.4	I176 W177 I178 D179 L306 I310 F382 F384 L412	I176-L308 HydrophobicContact CG2-CD1 4.34Å; W177-L308 PolarHBondContact O-N 3.37Å; I178-L308 VanDerWaalsContact CA-O 3.31Å; I178-L308 WeakPolarHBondContact CA-O 3.19Å; I178-L308 HydrophobicContact CD1-CD1 4.5Å; I178-L308 HydrophobicContact CG1-CB 4.33Å; I178-L308 HydrophobicContact CG1-CD1 4.15Å; D179-L308 PolarHBondContact N-O 3.44Å; L306-L308 HydrophobicContact CD1-CD2 3.8Å; L306-L308 HydrophobicContact CD1-CG 4.14Å; L306-L308 HydrophobicContact CD2-CD1 4.17Å; L306-L308 HydrophobicContact CD2-CG 4.39Å; L306-L308 HydrophobicContact CG-CD1 4.29Å; L306-L308 HydrophobicContact CG-CD2 4.19Å; L306-L308 HydrophobicContact CG-CG 3.98Å; L308-I310 HydrophobicContact CB-CD1 4.42Å; L308-F382 WeakPolarHBondContact CA-O 3.35Å; L308-F382 HydrophobicContact CD2-CB 3.83Å; L308-F382 HydrophobicContact CD2-CD2 3.8Å; L308-F382 HydrophobicContact CD2-CG 4.25Å; L308-F384 HydrophobicContact CD2-CE2 3.81Å; L308-L412 HydrophobicContact CD1-CD1 3.59Å; L308-L412 HydrophobicContact CD1-CD2 4.4Å; L308-L412 HydrophobicContact CD1-CG 3.62Å
309	S	98.9	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.6	169.9	-165.1	0	0	0	0	110.2	D179 H311 F382 T383 F384	D179-S309 WeakPolarHBondContact OD1-CB 3.23Å; D179-S309 PolarHBondContact OD1-OG 3.11Å; S309-H311 PolarHBondContact OG-NE2 2.9Å; S309-F382 PolarHBondContact N-O 3.15Å; S309-T383 WeakPolarHBondContact O-CA 3.4Å; S309-F384 PolarHBondContact O-N 2.56Å
310	I	98.9	Very high	97.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.6	-173.7	-47.6	-58.9	0	0	0	110	I178 D179 S189 F192 L308 F384 L386	I178-I310 HydrophobicContact CG2-CD1 4.49Å; I178-I310 HydrophobicContact CG2-CG1 3.97Å; D179-I310 PolarHBondContact O-N 3.1Å; S189-I310 VanDerWaalsContact CB-O 3.3Å; S189-I310 WeakPolarHBondContact CB-O 3.28Å; S189-I310 PolarHBondContact OG-O 2.73Å; F192-I310 HydrophobicContact CD1-CB 4.37Å; F192-I310 HydrophobicContact CD1-CD1 4.36Å; F192-I310 HydrophobicContact CD1-CG1 3.91Å; F192-I310 HydrophobicContact CD1-CG2 3.81Å; F192-I310 HydrophobicContact CE1-CD1 3.96Å; F192-I310 HydrophobicContact CE1-CG1 3.9Å; F192-I310 HydrophobicContact CE1-CG2 4.45Å; F192-I310 HydrophobicContact CG-CG2 4.44Å; L308-I310 HydrophobicContact CB-CD1 4.42Å; I310-F384 HydrophobicContact CD1-CB 3.8Å; I310-F384 HydrophobicContact CD1-CD1 4.37Å; I310-F384 HydrophobicContact CD1-CD2 4.14Å; I310-F384 HydrophobicContact CD1-CG 3.87Å; I310-L386 HydrophobicContact CG2-CD1 3.64Å; I310-L386 HydrophobicContact CG2-CD2 4.32Å; I310-L386 HydrophobicContact CG2-CG 3.89Å
311	H	98.9	Very high	97.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	175.5	-174.8	-70.8	-94.6	0	0	0	111.7	I182 H183 E186 S309 F384 E385 L386	I182-H311 WeakPolarHBondContact CG2-CE1 3.42Å; H183-H311 AromaticContact CE1-CE1 3.18Å; H183-H311 PolarHBondContact CE1-CE1 2.84Å; H183-H311 AromaticContact CE1-ND1 3.21Å; H183-H311 PolarHBondContact CE1-ND1 3.15Å; H183-H311 AromaticContact ND1-CE1 3.54Å; H183-H311 AromaticContact ND1-ND1 3.14Å; H183-H311 PolarHBondContact ND1-ND1 3.24Å; H183-H311 VanDerWaalsContact ND1-ND1 3.14Å; H183-H311 AromaticContact NE2-CE1 3.91Å; E186-H311 VanDerWaalsContact OE2-CA 3.23Å; E186-H311 WeakPolarHBondContact OE2-CA 3.02Å; E186-H311 VanDerWaalsContact OE2-CB 3.3Å; E186-H311 WeakPolarHBondContact OE2-CB 3.42Å; E186-H311 IonicContact OE2-CG 3.08Å; E186-H311 IonicContact OE2-ND1 3.95Å; E186-H311 PolarHBondContact OE2-ND1 3.4Å; E186-H311 VanDerWaalsContact OE2-ND1 3.14Å; S309-H311 PolarHBondContact OG-NE2 2.9Å; H311-F384 CarbonylContact C-O 3.57Å; H311-F384 VanDerWaalsContact CA-O 3.31Å; H311-F384 WeakPolarHBondContact CA-O 3.49Å; H311-F384 VanDerWaalsContact CB-O 3.32Å; H311-F384 WeakPolarHBondContact CB-O 3.48Å; H311-F384 PolarHBondContact N-O 3.24Å; H311-E385 VanDerWaalsContact CB-OE2 3.27Å; H311-E385 WeakPolarHBondContact CB-OE2 3.3Å; H311-L386 WeakPolarHBondContact O-CB 3.23Å; H311-L386 WeakPolarHBondContact O-CG 3.17Å; H311-L386 PolarHBondContact O-N 3.35Å
312	S	98.6	Very high	97.8	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.021	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	162.2	160.4	75	0	0	0	0	110.7	E186 I188 E385 F394	E186-S312 WeakPolarHBondContact CG-O 3.06Å; E186-S312 VanDerWaalsContact OE1-O 3.09Å; E186-S312 PolarHBondContact OE2-N 2.95Å; I188-S312 WeakPolarHBondContact CG2-OG 3.33Å; S312-E385 WeakPolarHBondContact CA-OE2 3.4Å; S312-E385 PolarHBondContact N-OE2 3.5Å; S312-F394 VanDerWaalsContact O-CE1 3.3Å; S312-F394 WeakPolarHBondContact O-CE1 3.22Å
313	Y	98.1	Very high	97.9	Very high	21 Å²	21	10.5 Å²	10.5	8%	0.082	6%	0.056	C	C	.	.	S	Bend	cis	-120.7	167.7	-2.3	65.1	-88.1	0	0	0	109.2	W55 S56 H70 L386 G390 F394	W55-Y313 HydrophobicContact CB-CE1 4.1Å; W55-Y313 WeakPolarHBondContact CB-OH 3.49Å; W55-Y313 HydrophobicContact CE3-CE1 4.07Å; S56-Y313 WeakPolarHBondContact CB-OH 3.33Å; H70-Y313 WeakPolarHBondContact CB-OH 3.13Å; H70-Y313 AromaticContact ND1-CE2 3.81Å; H70-Y313 AromaticContact ND1-CZ 3.78Å; H70-Y313 PolarHBondContact ND1-OH 3.06Å; Y313-L386 WeakPolarHBondContact CA-O 3.2Å; Y313-G390 VanDerWaalsContact CE2-CA 3.45Å; Y313-F394 AromaticContact CD1-CD1 3.69Å; Y313-F394 HydrophobicContact CD1-CD1 3.69Å; Y313-F394 HydrophobicContact CD1-CD2 4.46Å; Y313-F394 AromaticContact CD1-CE1 3.49Å; Y313-F394 HydrophobicContact CD1-CE1 3.49Å; Y313-F394 VanDerWaalsContact CD1-CE1 3.49Å; Y313-F394 HydrophobicContact CD1-CE2 4.29Å; Y313-F394 HydrophobicContact CD1-CG 4.17Å; Y313-F394 AromaticContact CD1-CZ 3.79Å; Y313-F394 HydrophobicContact CD1-CZ 3.79Å; Y313-F394 HydrophobicContact CE1-CD1 4.18Å; Y313-F394 HydrophobicContact CE1-CD2 4.18Å; Y313-F394 AromaticContact CE1-CE1 3.81Å; Y313-F394 HydrophobicContact CE1-CE1 3.81Å; Y313-F394 AromaticContact CE1-CE2 3.81Å; Y313-F394 HydrophobicContact CE1-CE2 3.81Å; Y313-F394 HydrophobicContact CE1-CG 4.34Å; Y313-F394 AromaticContact CE1-CZ 3.58Å; Y313-F394 HydrophobicContact CE1-CZ 3.58Å
314	G	95.8	Very high	97.9	Very high	10 Å²	10	10.2 Å²	10.2	10%	0.103	5%	0.054	C	C	.	.	S	Bend	trans	153	-8.9	172.7	0	0	0	0	0	113.9	M316 L386 D388	G314-M316 WeakPolarHBondContact O-CG 3.27Å; G314-L386 PolarHBondContact N-O 2.95Å; G314-L386 VanDerWaalsContact N-O 3.13Å; G314-D388 WeakPolarHBondContact CA-O 3.46Å; G314-D388 PolarHBondContact N-O 3.17Å
315	Q	98.1	Very high	97.7	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	8%	0.078	C	C	.	.			trans	51.7	67	-173.6	-66.7	177.9	-154.4	0	0	110.9	N352 Y353 K354 E385 L386 E387 R389	Q315-N352 PolarHBondContact NE2-O 2.93Å; Q315-Y353 HydrophobicContact CB-CD1 4.14Å; Q315-Y353 HydrophobicContact CB-CD2 3.85Å; Q315-Y353 HydrophobicContact CB-CE1 4.11Å; Q315-Y353 HydrophobicContact CB-CE2 3.79Å; Q315-Y353 HydrophobicContact CB-CG 4.02Å; Q315-Y353 HydrophobicContact CG-CD2 4.33Å; Q315-Y353 HydrophobicContact CG-CE2 3.81Å; Q315-Y353 CarbonylContact O-C 3.29Å; Q315-Y353 WeakPolarHBondContact O-CA 3.38Å; Q315-K354 PolarHBondContact O-N 3.06Å; Q315-E385 CarbonylContact C-O 3.54Å; Q315-E385 WeakPolarHBondContact CA-O 3.39Å; Q315-E385 PolarHBondContact N-O 3.2Å; Q315-L386 PolarHBondContact N-O 3.49Å; Q315-L386 VanDerWaalsContact N-O 3.17Å; Q315-E387 HydrophobicContact CG-CG 4.14Å; Q315-R389 HydrophobicContact CB-CG 4.12Å; Q315-R389 HydrophobicContact CG-CG 4.04Å
316	M	98.6	Very high	97.6	Very high	29 Å²	29	19.3 Å²	19.3	14%	0.143	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.1	-178.2	-40.5	-162.5	-147	0	0	112.3	G314 L318 K354 I362 E385	G314-M316 WeakPolarHBondContact O-CG 3.27Å; M316-L318 HydrophobicContact CB-CD2 3.86Å; M316-L318 HydrophobicContact CB-CG 4.08Å; M316-K354 CarbonylContact C-O 3.52Å; M316-K354 WeakPolarHBondContact CA-O 3.48Å; M316-K354 HydrophobicContact CB-CB 4.38Å; M316-K354 HydrophobicContact CG-CB 4.04Å; M316-K354 HydrophobicContact SD-CB 4.21Å; M316-K354 HydrophobicContact SD-CD 4.12Å; M316-I362 HydrophobicContact CE-CD1 4.03Å; M316-I362 HydrophobicContact CE-CG1 4.25Å; M316-I362 HydrophobicContact SD-CD1 3.47Å; M316-I362 WeakPolarHBondContact SD-CD1 3.37Å; M316-I362 HydrophobicContact SD-CG1 3.53Å; M316-I362 VanDerWaalsContact SD-CG1 3.53Å; M316-E385 HydrophobicContact CB-CB 3.92Å; M316-E385 HydrophobicContact CB-CG 4.23Å; M316-E385 HydrophobicContact CG-CB 4.14Å; M316-E385 PolarHBondContact N-O 3.12Å; M316-E385 PolarHBondContact O-N 2.74Å
317	L	98.8	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	107.4	170.9	-59.3	-178.6	0	0	0	108.5	V338 A341 A342 Y353 K354 Y355 G356 F384 A411	L317-V338 HydrophobicContact CB-CB 3.94Å; L317-V338 HydrophobicContact CB-CG1 4.06Å; L317-A341 HydrophobicContact CD1-CB 3.6Å; L317-A342 HydrophobicContact CD1-CB 4.17Å; L317-Y353 HydrophobicContact CD2-CD1 4Å; L317-Y353 HydrophobicContact CD2-CE1 4.28Å; L317-Y353 HydrophobicContact CG-CD1 3.86Å; L317-K354 PolarHBondContact N-O 3.19Å; L317-Y355 WeakPolarHBondContact O-CA 3.42Å; L317-Y355 VanDerWaalsContact O-CB 3.3Å; L317-Y355 WeakPolarHBondContact O-CB 3.43Å; L317-G356 PolarHBondContact O-N 3.4Å; L317-F384 HydrophobicContact CD2-CD1 3.45Å; L317-F384 VanDerWaalsContact CD2-CD1 3.45Å; L317-F384 HydrophobicContact CD2-CD2 4.23Å; L317-F384 HydrophobicContact CD2-CE1 3.51Å; L317-F384 HydrophobicContact CD2-CE2 4.24Å; L317-F384 HydrophobicContact CD2-CG 3.85Å; L317-F384 HydrophobicContact CD2-CZ 3.92Å; L317-A411 HydrophobicContact CD1-CB 4.11Å; L317-A411 HydrophobicContact CD2-CB 4.28Å
318	L	98.8	Very high	97.5	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	159.8	-169.1	-47.4	167.9	0	0	0	111.1	M316 G356 S358 T361 I362 F382 T383 E385	M316-L318 HydrophobicContact CB-CD2 3.86Å; M316-L318 HydrophobicContact CB-CG 4.08Å; L318-G356 WeakPolarHBondContact CA-O 3.42Å; L318-S358 WeakPolarHBondContact CB-OG 3.48Å; L318-T361 HydrophobicContact CD2-CG2 3.79Å; L318-I362 HydrophobicContact CD1-CD1 3.27Å; L318-I362 HydrophobicContact CD1-CG1 4.17Å; L318-I362 HydrophobicContact CD2-CD1 3.98Å; L318-I362 HydrophobicContact CD2-CG1 4.1Å; L318-I362 HydrophobicContact CG-CD1 4.2Å; L318-F382 VanDerWaalsContact O-CA 3.24Å; L318-F382 WeakPolarHBondContact O-CA 3.43Å; L318-F382 WeakPolarHBondContact O-CB 3.49Å; L318-T383 HydrophobicContact CD1-CG2 4.09Å; L318-T383 PolarHBondContact N-O 3.24Å; L318-T383 PolarHBondContact O-N 3.13Å; L318-E385 HydrophobicContact CD1-CG 4.25Å
319	F	98.8	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.7	171.3	61	-92	0	0	0	110.5	V328 H331 L334 F335 V338 G356 A357 S358 F382	F319-V328 HydrophobicContact CD2-CG2 4.38Å; F319-V328 HydrophobicContact CE2-CG2 4.43Å; F319-H331 AromaticContact CE2-CE1 3.71Å; F319-H331 AromaticContact CE2-ND1 3.53Å; F319-H331 AromaticContact CZ-CE1 3.64Å; F319-H331 AromaticContact CZ-ND1 3.91Å; F319-H331 AromaticContact CZ-NE2 3.96Å; F319-L334 HydrophobicContact CB-CB 4.18Å; F319-L334 HydrophobicContact CB-CD1 4Å; F319-L334 HydrophobicContact CD1-CB 4.09Å; F319-L334 HydrophobicContact CD2-CB 3.63Å; F319-L334 HydrophobicContact CD2-CD1 3.76Å; F319-L334 HydrophobicContact CD2-CG 4.34Å; F319-L334 HydrophobicContact CE1-CB 4.38Å; F319-L334 HydrophobicContact CE2-CB 3.96Å; F319-L334 HydrophobicContact CG-CB 3.71Å; F319-L334 HydrophobicContact CG-CD1 4.13Å; F319-L334 HydrophobicContact CZ-CB 4.32Å; F319-F335 HydrophobicContact CE1-CB 4.11Å; F319-F335 HydrophobicContact CE1-CD2 4.15Å; F319-F335 HydrophobicContact CZ-CB 3.9Å; F319-F335 HydrophobicContact CZ-CD2 4.1Å; F319-V338 HydrophobicContact CD1-CG1 4.06Å; F319-V338 HydrophobicContact CD1-CG2 3.81Å; F319-V338 HydrophobicContact CE1-CG2 3.72Å; F319-G356 WeakPolarHBondContact CD1-O 3.17Å; F319-G356 PolarHBondContact N-O 2.86Å; F319-A357 HydrophobicContact CE2-CB 4.04Å; F319-A357 HydrophobicContact CZ-CB 4.3Å; F319-A357 CarbonylContact O-C 3.48Å; F319-A357 VanDerWaalsContact O-CA 3.27Å; F319-A357 WeakPolarHBondContact O-CA 3.27Å; F319-S358 PolarHBondContact O-N 3.06Å; F319-S358 PolarHBondContact O-OG 3.01Å; F319-F382 HydrophobicContact CB-CD1 3.82Å; F319-F382 HydrophobicContact CB-CE1 4.08Å
320	P	98.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-54.6	152.9	178.5	-33.9	40.7	0	0	0	115.5	V328 D370 D371 Y374 S381	P320-V328 HydrophobicContact CB-CG1 3.79Å; P320-V328 WeakPolarHBondContact O-CG1 3.32Å; P320-D370 HydrophobicContact CG-CB 4.35Å; P320-D371 WeakPolarHBondContact CA-OD1 3.38Å; P320-D371 WeakPolarHBondContact CB-OD1 3.43Å; P320-D371 WeakPolarHBondContact CG-OD1 3.31Å; P320-Y374 HydrophobicContact CB-CG 4.29Å; P320-Y374 HydrophobicContact CG-CD2 4.43Å; P320-Y374 HydrophobicContact CG-CG 4.28Å; P320-S381 WeakPolarHBondContact CD-O 3.28Å
321	Y	98	Very high	97.3	Very high	38 Å²	38	33.5 Å²	33.5	15%	0.149	18%	0.178	C	C	.	.			cis	-91	144.3	1.3	-67.6	-65.7	0	0	0	113.5	V328 A359 D371 Y374 N375	Y321-V328 HydrophobicContact CD1-CG1 4.2Å; Y321-V328 HydrophobicContact CD2-CG1 3.64Å; Y321-V328 HydrophobicContact CE1-CG1 3.98Å; Y321-V328 HydrophobicContact CE2-CB 4.25Å; Y321-V328 HydrophobicContact CE2-CG1 3.41Å; Y321-V328 VanDerWaalsContact CE2-CG1 3.41Å; Y321-V328 HydrophobicContact CG-CG1 4.04Å; Y321-A359 VanDerWaalsContact O-CB 3.29Å; Y321-A359 WeakPolarHBondContact O-CB 3.48Å; Y321-A359 PolarHBondContact O-N 2.64Å; Y321-D371 VanDerWaalsContact CA-OD1 3.31Å; Y321-D371 WeakPolarHBondContact CA-OD1 3.37Å; Y321-D371 HydrophobicContact CD1-CB 4.37Å; Y321-Y374 AromaticContact CE1-CD1 3.97Å; Y321-Y374 HydrophobicContact CE1-CD1 3.97Å; Y321-Y374 HydrophobicContact CE1-CE1 4.49Å; Y321-N375 WeakPolarHBondContact CE1-OD1 3.46Å; Y321-N375 PolarHBondContact OH-OD1 3.46Å
322	S	95.7	Very high	97.3	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.049	21%	0.209	C	C	.	.	S	Bend	trans	-89.6	-34.7	166.2	-63.6	0	0	0	0	110.9	S358 L364 A365 D370 D371	S322-S358 WeakPolarHBondContact OG-CB 3.41Å; S322-S358 PolarHBondContact OG-OG 3.38Å; S322-S358 VanDerWaalsContact OG-OG 3.08Å; S322-L364 CarbonylContact O-C 3.58Å; S322-L364 WeakPolarHBondContact O-CA 3.48Å; S322-A365 WeakPolarHBondContact CB-O 3.49Å; S322-A365 PolarHBondContact O-N 3.4Å; S322-D370 PolarHBondContact OG-OD1 3.11Å; S322-D370 PolarHBondContact OG-OD2 3.31Å; S322-D371 WeakPolarHBondContact CA-OD2 3.33Å; S322-D371 VanDerWaalsContact N-CG 3.25Å; S322-D371 PolarHBondContact N-OD1 3.37Å; S322-D371 PolarHBondContact N-OD2 3.04Å
323	C	94.1	Very high	97.3	Very high	16 Å²	16	39.3 Å²	39.3	11%	0.108	22%	0.218	C	C	.	.	S	Bend	trans	-85.1	-12.6	-174.3	70.7	0	0	0	0	115.1	N264 P366 D371	N264-C323 HydrophobicContact CB-CB 3.82Å; N264-C323 PolarHBondContact ND2-O 3.38Å; C323-P366 HydrophobicContact CB-CB 3.96Å; C323-D371 WeakPolarHBondContact CB-OD2 3.4Å; C323-D371 PolarHBondContact N-OD2 3.21Å; C323-D371 PolarHBondContact SG-OD2 2.93Å
324	S	94.8	Very high	97.3	Very high	26 Å²	26	38.3 Å²	38.3	18%	0.182	21%	0.214	C	C	.	.			trans	-147.7	159.6	-179.5	99.6	0	0	0	0	111.7	E326 A359	S324-E326 WeakPolarHBondContact OG-CB 3.07Å; S324-E326 PolarHBondContact OG-N 3.33Å; S324-A359 WeakPolarHBondContact O-CB 3.43Å
325	N	94.8	Very high	97.5	Very high	96 Å²	96	41.1 Å²	41.1	51%	0.513	22%	0.224	S	C	.	.	S	Bend	trans	-84.2	2.4	173.7	-74	-48.2	0	0	0	113.3	K360	N325-K360 WeakPolarHBondContact O-CE 3.11Å
326	E	96.3	Very high	97.5	Very high	144 Å²	144	45 Å²	45	67%	0.673	24%	0.242	S	C	*	.	S	Bend	trans	-71.7	158.5	176.1	-58	-177	166.3	0	0	110.4	S324	S324-E326 WeakPolarHBondContact OG-CB 3.07Å; S324-E326 PolarHBondContact OG-N 3.33Å
327	E	97	Very high	97.5	Very high	110 Å²	110	43.8 Å²	43.8	51%	0.514	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-93.4	138	177.2	-67.3	-176.7	178.3	0	0	110	H331 K360	E327-H331 HydrophobicContact CB-CB 4.01Å; E327-H331 IonicContact OE2-CG 2.81Å; E327-K360 IonicContact OE1-NZ 3.79Å; E327-K360 PolarHBondContact OE1-NZ 3Å
328	V	97.3	Very high	97.5	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.024	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.6	149.8	167.9	-73.8	0	0	0	0	111.2	F319 P320 Y321 N330 H331 L334 Y374	F319-V328 HydrophobicContact CD2-CG2 4.38Å; F319-V328 HydrophobicContact CE2-CG2 4.43Å; P320-V328 HydrophobicContact CB-CG1 3.79Å; P320-V328 WeakPolarHBondContact O-CG1 3.32Å; Y321-V328 HydrophobicContact CD1-CG1 4.2Å; Y321-V328 HydrophobicContact CD2-CG1 3.64Å; Y321-V328 HydrophobicContact CE1-CG1 3.98Å; Y321-V328 HydrophobicContact CE2-CB 4.25Å; Y321-V328 HydrophobicContact CE2-CG1 3.41Å; Y321-V328 VanDerWaalsContact CE2-CG1 3.41Å; Y321-V328 HydrophobicContact CG-CG1 4.04Å; V328-N330 PolarHBondContact O-N 3.23Å; V328-N330 VanDerWaalsContact O-N 3.09Å; V328-H331 HydrophobicContact CG2-CB 4.02Å; V328-H331 VanDerWaalsContact O-CB 3.28Å; V328-H331 WeakPolarHBondContact O-CB 3.47Å; V328-H331 PolarHBondContact O-N 2.83Å; V328-L334 HydrophobicContact CG2-CD1 3.91Å; V328-Y374 HydrophobicContact CB-CE1 4.01Å; V328-Y374 HydrophobicContact CB-CE2 4.19Å; V328-Y374 HydrophobicContact CG1-CD1 4.01Å; V328-Y374 HydrophobicContact CG1-CD2 4.44Å; V328-Y374 HydrophobicContact CG1-CE1 3.62Å; V328-Y374 HydrophobicContact CG1-CE2 4.07Å; V328-Y374 HydrophobicContact CG1-CG 4.43Å
329	P	97.9	Very high	97.5	Very high	123 Å²	123	46.6 Å²	46.6	80%	0.799	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-35.4	179.2	-31.5	34.8	0	0	0	115.6	Y374	P329-Y374 WeakPolarHBondContact CD-OH 3.25Å
330	N	97.4	Very high	97.5	Very high	29 Å²	29	48.8 Å²	48.8	16%	0.155	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	30.9	177.9	67.1	-30.3	0	0	0	113.4	V328 A332 E333 L334 Y374 H379	V328-N330 PolarHBondContact O-N 3.23Å; V328-N330 VanDerWaalsContact O-N 3.09Å; N330-A332 PolarHBondContact O-N 2.89Å; N330-E333 HydrophobicContact CB-CB 4.49Å; N330-E333 WeakPolarHBondContact O-CB 3.47Å; N330-E333 PolarHBondContact O-N 3.24Å; N330-E333 VanDerWaalsContact O-N 3.1Å; N330-L334 PolarHBondContact O-N 3.41Å; N330-L334 VanDerWaalsContact O-N 3.16Å; N330-Y374 VanDerWaalsContact OD1-CE2 3.26Å; N330-Y374 WeakPolarHBondContact OD1-CE2 3.43Å; N330-Y374 PolarHBondContact OD1-OH 3.03Å; N330-H379 PolarHBondContact ND2-O 3.03Å
331	H	98.3	Very high	97.5	Very high	32 Å²	32	48.8 Å²	48.8	15%	0.148	26%	0.259	C	S	.	.	H	α-helix	trans	-51.9	-49.6	-174.5	-178.7	101.4	0	0	0	113.7	F319 E327 V328 E333 L334 F335	F319-H331 AromaticContact CE2-CE1 3.71Å; F319-H331 AromaticContact CE2-ND1 3.53Å; F319-H331 AromaticContact CZ-CE1 3.64Å; F319-H331 AromaticContact CZ-ND1 3.91Å; F319-H331 AromaticContact CZ-NE2 3.96Å; E327-H331 HydrophobicContact CB-CB 4.01Å; E327-H331 IonicContact OE2-CG 2.81Å; V328-H331 HydrophobicContact CG2-CB 4.02Å; V328-H331 VanDerWaalsContact O-CB 3.28Å; V328-H331 WeakPolarHBondContact O-CB 3.47Å; V328-H331 PolarHBondContact O-N 2.83Å; H331-E333 PolarHBondContact O-N 3.23Å; H331-L334 PolarHBondContact O-N 2.88Å; H331-F335 VanDerWaalsContact O-CB 3.32Å; H331-F335 WeakPolarHBondContact O-CB 3.29Å; H331-F335 PolarHBondContact O-N 3.43Å
332	A	98.3	Very high	97.5	Very high	79 Å²	79	47.2 Å²	47.2	65%	0.653	25%	0.254	S	S	*	.	H	α-helix	trans	-58.1	-36.8	-177.6	0	0	0	0	0	112.1	N330 E336	N330-A332 PolarHBondContact O-N 2.89Å; A332-E336 PolarHBondContact O-N 3.32Å; A332-E336 VanDerWaalsContact O-N 3.07Å
333	E	98.1	Very high	97.6	Very high	46 Å²	46	51.7 Å²	51.7	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-70.7	-47.1	178.2	-179.7	178.2	-159.4	0	0	111.8	N330 H331 F335 E336 L337 Y380 K422	N330-E333 HydrophobicContact CB-CB 4.49Å; N330-E333 WeakPolarHBondContact O-CB 3.47Å; N330-E333 PolarHBondContact O-N 3.24Å; N330-E333 VanDerWaalsContact O-N 3.1Å; H331-E333 PolarHBondContact O-N 3.23Å; E333-F335 VanDerWaalsContact C-N 3.29Å; E333-F335 PolarHBondContact O-N 2.74Å; E333-E336 PolarHBondContact O-N 3.28Å; E333-L337 WeakPolarHBondContact O-CG 3.34Å; E333-L337 PolarHBondContact O-N 3.48Å; E333-L337 VanDerWaalsContact O-N 3.16Å; E333-Y380 HydrophobicContact CG-CE1 4.25Å; E333-Y380 WeakPolarHBondContact OE1-CE1 3.46Å; E333-Y380 PolarHBondContact OE1-OH 3.42Å; E333-K422 WeakPolarHBondContact OE1-CD 3.28Å; E333-K422 WeakPolarHBondContact OE1-CE 3.09Å; E333-K422 IonicContact OE1-NZ 2.68Å; E333-K422 PolarHBondContact OE1-NZ 2.98Å
334	L	98.6	Very high	97.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-39.2	177.4	-59.4	-170.6	0	0	0	111.5	F319 V328 N330 H331 L337 V338 Y374 Y380 F382	F319-L334 HydrophobicContact CB-CB 4.18Å; F319-L334 HydrophobicContact CB-CD1 4Å; F319-L334 HydrophobicContact CD1-CB 4.09Å; F319-L334 HydrophobicContact CD2-CB 3.63Å; F319-L334 HydrophobicContact CD2-CD1 3.76Å; F319-L334 HydrophobicContact CD2-CG 4.34Å; F319-L334 HydrophobicContact CE1-CB 4.38Å; F319-L334 HydrophobicContact CE2-CB 3.96Å; F319-L334 HydrophobicContact CG-CB 3.71Å; F319-L334 HydrophobicContact CG-CD1 4.13Å; F319-L334 HydrophobicContact CZ-CB 4.32Å; V328-L334 HydrophobicContact CG2-CD1 3.91Å; N330-L334 PolarHBondContact O-N 3.41Å; N330-L334 VanDerWaalsContact O-N 3.16Å; H331-L334 PolarHBondContact O-N 2.88Å; L334-L337 PolarHBondContact O-N 2.9Å; L334-V338 WeakPolarHBondContact O-CG2 3.38Å; L334-V338 PolarHBondContact O-N 3.46Å; L334-V338 VanDerWaalsContact O-N 3.1Å; L334-Y374 HydrophobicContact CD1-CE2 4.23Å; L334-Y380 HydrophobicContact CD2-CD1 3.78Å; L334-Y380 HydrophobicContact CD2-CE1 4.4Å; L334-F382 HydrophobicContact CB-CE1 4.2Å; L334-F382 HydrophobicContact CD2-CE1 4.07Å; L334-F382 HydrophobicContact CD2-CZ 3.69Å
335	F	98.6	Very high	98	Very high	69 Å²	69	52.9 Å²	52.9	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-46.1	176.3	-170.8	-88	0	0	0	112.2	F319 H331 E333 L337 V338 Q339 Y355	F319-F335 HydrophobicContact CE1-CB 4.11Å; F319-F335 HydrophobicContact CE1-CD2 4.15Å; F319-F335 HydrophobicContact CZ-CB 3.9Å; F319-F335 HydrophobicContact CZ-CD2 4.1Å; H331-F335 VanDerWaalsContact O-CB 3.32Å; H331-F335 WeakPolarHBondContact O-CB 3.29Å; H331-F335 PolarHBondContact O-N 3.43Å; E333-F335 VanDerWaalsContact C-N 3.29Å; E333-F335 PolarHBondContact O-N 2.74Å; F335-L337 VanDerWaalsContact C-N 3.31Å; F335-L337 PolarHBondContact O-N 2.82Å; F335-V338 WeakPolarHBondContact O-CG2 3.47Å; F335-V338 PolarHBondContact O-N 3.03Å; F335-Q339 HydrophobicContact CE1-CB 4.44Å; F335-Q339 WeakPolarHBondContact O-CB 3.39Å; F335-Q339 PolarHBondContact O-N 2.63Å; F335-Y355 HydrophobicContact CE1-CE2 4.15Å; F335-Y355 HydrophobicContact CE2-CD2 4.19Å; F335-Y355 HydrophobicContact CE2-CE2 4.14Å; F335-Y355 HydrophobicContact CZ-CD2 4.2Å; F335-Y355 AromaticContact CZ-CE2 3.69Å; F335-Y355 HydrophobicContact CZ-CE2 3.69Å
336	E	98.5	Very high	98.1	Very high	93 Å²	93	55.6 Å²	55.6	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-58.1	-43.8	176.2	-171.8	-170.8	158.6	0	0	111.2	A332 E333 Q339 E340 R418	A332-E336 PolarHBondContact O-N 3.32Å; A332-E336 VanDerWaalsContact O-N 3.07Å; E333-E336 PolarHBondContact O-N 3.28Å; E336-Q339 PolarHBondContact O-N 2.79Å; E336-E340 WeakPolarHBondContact O-CB 3.49Å; E336-E340 PolarHBondContact O-N 2.89Å; E336-R418 IonicContact OE1-NH2 3.98Å
337	L	98.6	Very high	98.2	Very high	3 Å²	3	57 Å²	57	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-48.9	-179.3	-69	173.3	0	0	0	112.6	E333 L334 F335 E340 A341 Y380 F382 I415 R418 V419	E333-L337 WeakPolarHBondContact O-CG 3.34Å; E333-L337 PolarHBondContact O-N 3.48Å; E333-L337 VanDerWaalsContact O-N 3.16Å; L334-L337 PolarHBondContact O-N 2.9Å; F335-L337 VanDerWaalsContact C-N 3.31Å; F335-L337 PolarHBondContact O-N 2.82Å; L337-E340 PolarHBondContact O-N 3.17Å; L337-A341 WeakPolarHBondContact O-CB 3.38Å; L337-A341 PolarHBondContact O-N 2.93Å; L337-A341 VanDerWaalsContact O-N 3.08Å; L337-Y380 HydrophobicContact CD1-CD1 3.94Å; L337-Y380 HydrophobicContact CD1-CE1 4.04Å; L337-F382 HydrophobicContact CB-CZ 4.25Å; L337-F382 HydrophobicContact CD1-CZ 3.88Å; L337-I415 HydrophobicContact CB-CG1 4.43Å; L337-R418 HydrophobicContact CD2-CB 3.37Å; L337-R418 HydrophobicContact CD2-CG 3.9Å; L337-V419 HydrophobicContact CD1-CG2 4.38Å
338	V	98.6	Very high	98.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.2	-33.5	178.5	-62.6	0	0	0	0	112.1	L317 F319 L334 F335 A342 Y355 F382 I415	L317-V338 HydrophobicContact CB-CB 3.94Å; L317-V338 HydrophobicContact CB-CG1 4.06Å; F319-V338 HydrophobicContact CD1-CG1 4.06Å; F319-V338 HydrophobicContact CD1-CG2 3.81Å; F319-V338 HydrophobicContact CE1-CG2 3.72Å; L334-V338 WeakPolarHBondContact O-CG2 3.38Å; L334-V338 PolarHBondContact O-N 3.46Å; L334-V338 VanDerWaalsContact O-N 3.1Å; F335-V338 WeakPolarHBondContact O-CG2 3.47Å; F335-V338 PolarHBondContact O-N 3.03Å; V338-A342 VanDerWaalsContact O-CB 3.27Å; V338-A342 WeakPolarHBondContact O-CB 3.36Å; V338-A342 PolarHBondContact O-N 2.91Å; V338-Y355 HydrophobicContact CG2-CD2 4.04Å; V338-Y355 HydrophobicContact CG2-CG 4.3Å; V338-F382 HydrophobicContact CG1-CD1 3.55Å; V338-F382 HydrophobicContact CG1-CE1 3.64Å; V338-I415 HydrophobicContact CG1-CD1 4.46Å
339	Q	98.7	Very high	98.2	Very high	63 Å²	63	62.1 Å²	62.1	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-48.3	174.6	177.6	174.6	74.3	0	0	110.9	F335 E336 A341 A342 M343 Y355	F335-Q339 HydrophobicContact CE1-CB 4.44Å; F335-Q339 WeakPolarHBondContact O-CB 3.39Å; F335-Q339 PolarHBondContact O-N 2.63Å; E336-Q339 PolarHBondContact O-N 2.79Å; Q339-A341 PolarHBondContact O-N 3.39Å; Q339-A342 PolarHBondContact O-N 2.79Å; Q339-M343 HydrophobicContact CG-CE 3.85Å; Q339-M343 HydrophobicContact CG-CG 4.49Å; Q339-M343 HydrophobicContact CG-SD 4.26Å; Q339-M343 WeakPolarHBondContact O-CB 3.34Å; Q339-M343 VanDerWaalsContact O-CG 3.26Å; Q339-M343 WeakPolarHBondContact O-CG 3.37Å; Q339-M343 PolarHBondContact O-N 3.35Å; Q339-Y355 HydrophobicContact CB-CD2 4.11Å; Q339-Y355 HydrophobicContact CB-CE2 3.63Å; Q339-Y355 HydrophobicContact CG-CE2 3.87Å; Q339-Y355 PolarHBondContact NE2-OH 2.86Å
340	E	98.4	Very high	98.1	Very high	46 Å²	46	65.2 Å²	65.2	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-47.1	177.6	-168.5	-170.3	152.8	0	0	111.2	E336 L337 M343 K344 R418	E336-E340 WeakPolarHBondContact O-CB 3.49Å; E336-E340 PolarHBondContact O-N 2.89Å; L337-E340 PolarHBondContact O-N 3.17Å; E340-M343 PolarHBondContact O-N 2.75Å; E340-K344 WeakPolarHBondContact O-CG 3.36Å; E340-K344 PolarHBondContact O-N 2.71Å; E340-K344 WeakPolarHBondContact OE1-CE 3.48Å; E340-K344 IonicContact OE1-NZ 3.52Å; E340-K344 PolarHBondContact OE1-NZ 3.21Å; E340-R418 IonicContact OE2-NE 2.87Å; E340-R418 PolarHBondContact OE2-NE 3.37Å
341	A	98.6	Very high	97.9	Very high	0 Å²	0	65 Å²	65	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-48.5	177.8	0	0	0	0	0	112	L317 L337 Q339 M343 K344 V345 A411 I415	L317-A341 HydrophobicContact CD1-CB 3.6Å; L337-A341 WeakPolarHBondContact O-CB 3.38Å; L337-A341 PolarHBondContact O-N 2.93Å; L337-A341 VanDerWaalsContact O-N 3.08Å; Q339-A341 PolarHBondContact O-N 3.39Å; A341-M343 VanDerWaalsContact C-N 3.34Å; A341-M343 PolarHBondContact O-N 2.88Å; A341-K344 PolarHBondContact O-N 3.36Å; A341-V345 WeakPolarHBondContact O-CG2 3.18Å; A341-V345 PolarHBondContact O-N 2.91Å; A341-A411 HydrophobicContact CB-CB 4.11Å; A341-I415 HydrophobicContact CB-CD1 4.08Å; A341-I415 HydrophobicContact CB-CG1 4.04Å
342	A	98.6	Very high	97.8	Very high	5 Å²	5	67.1 Å²	67.1	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-39.7	178.1	0	0	0	0	0	112.4	L317 V338 Q339 V345 R346 Y355	L317-A342 HydrophobicContact CD1-CB 4.17Å; V338-A342 VanDerWaalsContact O-CB 3.27Å; V338-A342 WeakPolarHBondContact O-CB 3.36Å; V338-A342 PolarHBondContact O-N 2.91Å; Q339-A342 PolarHBondContact O-N 2.79Å; A342-V345 PolarHBondContact O-N 2.91Å; A342-R346 WeakPolarHBondContact O-CB 3.4Å; A342-R346 PolarHBondContact O-N 3.36Å; A342-Y355 HydrophobicContact CB-CD1 3.41Å; A342-Y355 VanDerWaalsContact CB-CD1 3.41Å; A342-Y355 HydrophobicContact CB-CE1 3.86Å; A342-Y355 HydrophobicContact CB-CG 4.21Å
343	M	98.4	Very high	97.8	Very high	102 Å²	102	64 Å²	64	50%	0.502	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-39.9	175.2	-74.1	-172.7	-59.4	0	0	112.2	Q339 E340 A341 R346 R347	Q339-M343 HydrophobicContact CG-CE 3.85Å; Q339-M343 HydrophobicContact CG-CG 4.49Å; Q339-M343 HydrophobicContact CG-SD 4.26Å; Q339-M343 WeakPolarHBondContact O-CB 3.34Å; Q339-M343 VanDerWaalsContact O-CG 3.26Å; Q339-M343 WeakPolarHBondContact O-CG 3.37Å; Q339-M343 PolarHBondContact O-N 3.35Å; E340-M343 PolarHBondContact O-N 2.75Å; A341-M343 VanDerWaalsContact C-N 3.34Å; A341-M343 PolarHBondContact O-N 2.88Å; M343-R346 PolarHBondContact O-N 3Å; M343-R347 WeakPolarHBondContact O-CB 3.29Å; M343-R347 PolarHBondContact O-N 3.4Å
344	K	98.3	Very high	97.7	Very high	66 Å²	66	67.1 Å²	67.1	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-47.9	174.1	-75	178.9	-173.6	164.7	0	111	E340 A341 R346 R347 Y348 L410 S414	E340-K344 WeakPolarHBondContact O-CG 3.36Å; E340-K344 PolarHBondContact O-N 2.71Å; E340-K344 WeakPolarHBondContact OE1-CE 3.48Å; E340-K344 IonicContact OE1-NZ 3.52Å; E340-K344 PolarHBondContact OE1-NZ 3.21Å; A341-K344 PolarHBondContact O-N 3.36Å; K344-R346 VanDerWaalsContact C-N 3.31Å; K344-R346 PolarHBondContact O-N 3.36Å; K344-R347 WeakPolarHBondContact O-CB 3.38Å; K344-R347 PolarHBondContact O-N 3.3Å; K344-Y348 VanDerWaalsContact O-CD2 3.24Å; K344-Y348 WeakPolarHBondContact O-CD2 3.25Å; K344-Y348 PolarHBondContact O-N 2.79Å; K344-L410 HydrophobicContact CB-CD2 4.21Å; K344-L410 HydrophobicContact CB-CG 4.38Å; K344-S414 WeakPolarHBondContact CD-OG 3.49Å; K344-S414 PolarHBondContact NZ-OG 3.49Å
345	V	98.2	Very high	97.7	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.4	-47.6	175.9	173	0	0	0	0	110.9	A341 A342 R347 Y348 Y349 R350 N351 Y353 E407 A411	A341-V345 WeakPolarHBondContact O-CG2 3.18Å; A341-V345 PolarHBondContact O-N 2.91Å; A342-V345 PolarHBondContact O-N 2.91Å; V345-R347 VanDerWaalsContact C-N 3.32Å; V345-R347 PolarHBondContact O-N 2.75Å; V345-Y348 PolarHBondContact O-N 3.46Å; V345-Y349 WeakPolarHBondContact O-CA 3.41Å; V345-Y349 PolarHBondContact O-N 3.45Å; V345-R350 PolarHBondContact O-N 3.21Å; V345-N351 HydrophobicContact CG1-CB 4.17Å; V345-Y353 HydrophobicContact CB-CD2 4.44Å; V345-Y353 HydrophobicContact CG1-CD2 3.64Å; V345-Y353 HydrophobicContact CG1-CE2 3.74Å; V345-E407 HydrophobicContact CG1-CB 4.21Å; V345-A411 HydrophobicContact CG2-CB 3.9Å
346	R	97.9	Very high	97.7	Very high	154 Å²	154	67.5 Å²	67.5	58%	0.581	29%	0.286	S	S	*	.	H	α-helix	trans	-59.5	-39.8	176.1	-176.4	179	178.2	-174	0.1	113	A342 M343 K344 R350 N351 N352	A342-R346 WeakPolarHBondContact O-CB 3.4Å; A342-R346 PolarHBondContact O-N 3.36Å; M343-R346 PolarHBondContact O-N 3Å; K344-R346 VanDerWaalsContact C-N 3.31Å; K344-R346 PolarHBondContact O-N 3.36Å; R346-R350 VanDerWaalsContact O-CA 3.27Å; R346-R350 WeakPolarHBondContact O-CA 3.23Å; R346-R350 PolarHBondContact O-N 3.23Å; R346-N351 WeakPolarHBondContact CA-O 3.43Å; R346-N351 PolarHBondContact N-O 3.06Å; R346-N352 VanDerWaalsContact CD-OD1 3.26Å; R346-N352 WeakPolarHBondContact CD-OD1 3.43Å; R346-N352 WeakPolarHBondContact CG-OD1 3.4Å; R346-N352 PolarHBondContact NE-OD1 3Å
347	R	97.9	Very high	97.7	Very high	172 Å²	172	63.3 Å²	63.3	65%	0.649	27%	0.267	S	S	*	.	H	α-helix	trans	-65.9	-44.8	-179.9	-179.2	176.7	176.4	170.5	-1.4	112	M343 K344 V345 R350	M343-R347 WeakPolarHBondContact O-CB 3.29Å; M343-R347 PolarHBondContact O-N 3.4Å; K344-R347 WeakPolarHBondContact O-CB 3.38Å; K344-R347 PolarHBondContact O-N 3.3Å; V345-R347 VanDerWaalsContact C-N 3.32Å; V345-R347 PolarHBondContact O-N 2.75Å; R347-R350 PolarHBondContact O-NH1 3.32Å
348	Y	97.2	Very high	97.6	Very high	144 Å²	144	63.4 Å²	63.4	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-93.4	-39	-171.4	-70.6	-79.5	0	0	0	113.8	K344 V345 L410	K344-Y348 VanDerWaalsContact O-CD2 3.24Å; K344-Y348 WeakPolarHBondContact O-CD2 3.25Å; K344-Y348 PolarHBondContact O-N 2.79Å; V345-Y348 PolarHBondContact O-N 3.46Å; Y348-L410 HydrophobicContact CD2-CD2 3.76Å; Y348-L410 HydrophobicContact CG-CD2 4.15Å
349	Y	96.6	Very high	97.4	Very high	78 Å²	78	63.8 Å²	63.8	31%	0.306	27%	0.271	S	S	.	.	H	α-helix	trans	-109.5	-6	-174.8	-66.3	-82.4	0	0	0	114	V345 N351 N406 E407 L410	V345-Y349 WeakPolarHBondContact O-CA 3.41Å; V345-Y349 PolarHBondContact O-N 3.45Å; Y349-N351 PolarHBondContact O-N 3.15Å; Y349-N406 HydrophobicContact CE1-CB 4.2Å; Y349-N406 WeakPolarHBondContact OH-CB 3.28Å; Y349-E407 HydrophobicContact CD1-CB 4.32Å; Y349-E407 HydrophobicContact CD2-CB 3.79Å; Y349-E407 HydrophobicContact CE2-CB 4.19Å; Y349-E407 HydrophobicContact CG-CB 3.88Å; Y349-L410 HydrophobicContact CD2-CD2 3.95Å; Y349-L410 HydrophobicContact CE2-CB 4.18Å; Y349-L410 HydrophobicContact CE2-CD2 3.7Å
350	R	95.8	Very high	97.2	Very high	188 Å²	188	66.1 Å²	66.1	71%	0.709	28%	0.28	S	S	*	.			trans	62.5	6	-178.7	-50.6	-56.7	-175.2	-171.1	0.8	115.2	V345 R346 R347	V345-R350 PolarHBondContact O-N 3.21Å; R346-R350 VanDerWaalsContact O-CA 3.27Å; R346-R350 WeakPolarHBondContact O-CA 3.23Å; R346-R350 PolarHBondContact O-N 3.23Å; R347-R350 PolarHBondContact O-NH1 3.32Å
351	N	94.5	Very high	97	Very high	26 Å²	26	65.8 Å²	65.8	14%	0.139	28%	0.282	C	S	.	.			trans	-80	139.5	172.1	-77.4	-25.1	0	0	0	111	V345 R346 Y349 Y353 E387 K403 E407	V345-N351 HydrophobicContact CG1-CB 4.17Å; R346-N351 WeakPolarHBondContact CA-O 3.43Å; R346-N351 PolarHBondContact N-O 3.06Å; Y349-N351 PolarHBondContact O-N 3.15Å; N351-Y353 HydrophobicContact CB-CD2 4.39Å; N351-Y353 HydrophobicContact CB-CE2 4.25Å; N351-E387 PolarHBondContact ND2-OE1 3.39Å; N351-K403 PolarHBondContact ND2-NZ 3.29Å; N351-K403 VanDerWaalsContact ND2-NZ 3.16Å; N351-E407 WeakPolarHBondContact CB-OE2 3.2Å; N351-E407 PolarHBondContact ND2-OE2 2.96Å
352	N	95	Very high	96.6	Very high	75 Å²	75	68.1 Å²	68.1	40%	0.401	29%	0.294	S	S	.	.			trans	-101.2	107	178.3	-63.8	-57.2	0	0	0	108.7	Q315 R346	Q315-N352 PolarHBondContact NE2-O 2.93Å; R346-N352 VanDerWaalsContact CD-OD1 3.26Å; R346-N352 WeakPolarHBondContact CD-OD1 3.43Å; R346-N352 WeakPolarHBondContact CG-OD1 3.4Å; R346-N352 PolarHBondContact NE-OD1 3Å
353	Y	97.8	Very high	96.3	Very high	14 Å²	14	70.6 Å²	70.6	6%	0.055	30%	0.302	C	S	.	.			trans	-86.3	133	172.4	-85.7	-118.2	0	0	0	110.1	Q315 L317 V345 N351 E407	Q315-Y353 HydrophobicContact CB-CD1 4.14Å; Q315-Y353 HydrophobicContact CB-CD2 3.85Å; Q315-Y353 HydrophobicContact CB-CE1 4.11Å; Q315-Y353 HydrophobicContact CB-CE2 3.79Å; Q315-Y353 HydrophobicContact CB-CG 4.02Å; Q315-Y353 HydrophobicContact CG-CD2 4.33Å; Q315-Y353 HydrophobicContact CG-CE2 3.81Å; Q315-Y353 CarbonylContact O-C 3.29Å; Q315-Y353 WeakPolarHBondContact O-CA 3.38Å; L317-Y353 HydrophobicContact CD2-CD1 4Å; L317-Y353 HydrophobicContact CD2-CE1 4.28Å; L317-Y353 HydrophobicContact CG-CD1 3.86Å; V345-Y353 HydrophobicContact CB-CD2 4.44Å; V345-Y353 HydrophobicContact CG1-CD2 3.64Å; V345-Y353 HydrophobicContact CG1-CE2 3.74Å; N351-Y353 HydrophobicContact CB-CD2 4.39Å; N351-Y353 HydrophobicContact CB-CE2 4.25Å; Y353-E407 VanDerWaalsContact OH-CD 3.23Å; Y353-E407 PolarHBondContact OH-OE1 2.91Å
354	K	97.9	Very high	96.1	Very high	111 Å²	111	67.5 Å²	67.5	48%	0.483	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	153.6	163.4	-67.8	-177.6	178.5	-179.8	0	108.6	Q315 M316 L317 T361	Q315-K354 PolarHBondContact O-N 3.06Å; M316-K354 CarbonylContact C-O 3.52Å; M316-K354 WeakPolarHBondContact CA-O 3.48Å; M316-K354 HydrophobicContact CB-CB 4.38Å; M316-K354 HydrophobicContact CG-CB 4.04Å; M316-K354 HydrophobicContact SD-CB 4.21Å; M316-K354 HydrophobicContact SD-CD 4.12Å; L317-K354 PolarHBondContact N-O 3.19Å; K354-T361 HydrophobicContact CB-CG2 4.25Å
355	Y	98.4	Very high	96	Very high	74 Å²	74	65 Å²	65	29%	0.29	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	154	178.4	57.2	-93.2	0	0	0	111.8	L317 F335 V338 Q339 A342	L317-Y355 WeakPolarHBondContact O-CA 3.42Å; L317-Y355 VanDerWaalsContact O-CB 3.3Å; L317-Y355 WeakPolarHBondContact O-CB 3.43Å; F335-Y355 HydrophobicContact CE1-CE2 4.15Å; F335-Y355 HydrophobicContact CE2-CD2 4.19Å; F335-Y355 HydrophobicContact CE2-CE2 4.14Å; F335-Y355 HydrophobicContact CZ-CD2 4.2Å; F335-Y355 AromaticContact CZ-CE2 3.69Å; F335-Y355 HydrophobicContact CZ-CE2 3.69Å; V338-Y355 HydrophobicContact CG2-CD2 4.04Å; V338-Y355 HydrophobicContact CG2-CG 4.3Å; Q339-Y355 HydrophobicContact CB-CD2 4.11Å; Q339-Y355 HydrophobicContact CB-CE2 3.63Å; Q339-Y355 HydrophobicContact CG-CE2 3.87Å; Q339-Y355 PolarHBondContact NE2-OH 2.86Å; A342-Y355 HydrophobicContact CB-CD1 3.41Å; A342-Y355 VanDerWaalsContact CB-CD1 3.41Å; A342-Y355 HydrophobicContact CB-CE1 3.86Å; A342-Y355 HydrophobicContact CB-CG 4.21Å
356	G	98.4	Very high	95.9	Very high	3 Å²	3	65 Å²	65	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.6	-173.2	179.8	0	0	0	0	0	112.6	L317 L318 F319 S358 T361	L317-G356 PolarHBondContact O-N 3.4Å; L318-G356 WeakPolarHBondContact CA-O 3.42Å; F319-G356 WeakPolarHBondContact CD1-O 3.17Å; F319-G356 PolarHBondContact N-O 2.86Å; G356-S358 PolarHBondContact O-N 3.33Å; G356-T361 WeakPolarHBondContact CA-OG1 3.41Å
357	A	97.7	Very high	95.9	Very high	5 Å²	5	57.6 Å²	57.6	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	133.6	172.2	0	0	0	0	0	110	F319 A359 K360 T361	F319-A357 HydrophobicContact CE2-CB 4.04Å; F319-A357 HydrophobicContact CZ-CB 4.3Å; F319-A357 CarbonylContact O-C 3.48Å; F319-A357 VanDerWaalsContact O-CA 3.27Å; F319-A357 WeakPolarHBondContact O-CA 3.27Å; A357-A359 PolarHBondContact O-N 3Å; A357-K360 PolarHBondContact O-N 3.23Å; A357-T361 WeakPolarHBondContact O-CB 3.41Å; A357-T361 PolarHBondContact O-N 3.46Å; A357-T361 PolarHBondContact O-OG1 3.18Å
358	S	96.5	Very high	95.9	Very high	5 Å²	5	49.5 Å²	49.5	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-54	-50.8	-171.8	-64.2	0	0	0	0	112.8	L318 F319 S322 G356 K360 T361 I362	L318-S358 WeakPolarHBondContact CB-OG 3.48Å; F319-S358 PolarHBondContact O-N 3.06Å; F319-S358 PolarHBondContact O-OG 3.01Å; S322-S358 WeakPolarHBondContact OG-CB 3.41Å; S322-S358 PolarHBondContact OG-OG 3.38Å; S322-S358 VanDerWaalsContact OG-OG 3.08Å; G356-S358 PolarHBondContact O-N 3.33Å; S358-K360 VanDerWaalsContact C-N 3.32Å; S358-K360 PolarHBondContact O-N 3.06Å; S358-T361 PolarHBondContact O-N 2.72Å; S358-I362 PolarHBondContact O-N 2.77Å
359	A	95.1	Very high	96	Very high	9 Å²	9	42.7 Å²	42.7	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-39.1	-178.5	0	0	0	0	0	113.5	Y321 S324 A357 L364	Y321-A359 VanDerWaalsContact O-CB 3.29Å; Y321-A359 WeakPolarHBondContact O-CB 3.48Å; Y321-A359 PolarHBondContact O-N 2.64Å; S324-A359 WeakPolarHBondContact O-CB 3.43Å; A357-A359 PolarHBondContact O-N 3Å; A359-L364 HydrophobicContact CB-CD2 3.8Å
360	K	94.1	Very high	96.1	Very high	111 Å²	111	39.1 Å²	39.1	48%	0.483	18%	0.18	S	C	.	.	H	α-helix	trans	-78.8	-27.8	-179.9	-65.1	-177.8	-176.8	177.7	0	112.6	N325 E327 A357 S358	N325-K360 WeakPolarHBondContact O-CE 3.11Å; E327-K360 IonicContact OE1-NZ 3.79Å; E327-K360 PolarHBondContact OE1-NZ 3Å; A357-K360 PolarHBondContact O-N 3.23Å; S358-K360 VanDerWaalsContact C-N 3.32Å; S358-K360 PolarHBondContact O-N 3.06Å
361	T	93.3	Very high	96.2	Very high	39 Å²	39	30.1 Å²	30.1	24%	0.239	15%	0.147	C	C	.	.	H	α-helix	trans	-92	-33	-173.3	-51.9	0	0	0	0	112.4	L318 K354 G356 A357 S358	L318-T361 HydrophobicContact CD2-CG2 3.79Å; K354-T361 HydrophobicContact CB-CG2 4.25Å; G356-T361 WeakPolarHBondContact CA-OG1 3.41Å; A357-T361 WeakPolarHBondContact O-CB 3.41Å; A357-T361 PolarHBondContact O-N 3.46Å; A357-T361 PolarHBondContact O-OG1 3.18Å; S358-T361 PolarHBondContact O-N 2.72Å
362	I	90.9	Very high	96.4	Very high	50 Å²	50	29.6 Å²	29.6	26%	0.256	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-81.8	-175.4	-63.2	-168.9	0	0	0	110.4	M316 L318 S358 E385	M316-I362 HydrophobicContact CE-CD1 4.03Å; M316-I362 HydrophobicContact CE-CG1 4.25Å; M316-I362 HydrophobicContact SD-CD1 3.47Å; M316-I362 WeakPolarHBondContact SD-CD1 3.37Å; M316-I362 HydrophobicContact SD-CG1 3.53Å; M316-I362 VanDerWaalsContact SD-CG1 3.53Å; L318-I362 HydrophobicContact CD1-CD1 3.27Å; L318-I362 HydrophobicContact CD1-CG1 4.17Å; L318-I362 HydrophobicContact CD2-CD1 3.98Å; L318-I362 HydrophobicContact CD2-CG1 4.1Å; L318-I362 HydrophobicContact CG-CD1 4.2Å; S358-I362 PolarHBondContact O-N 2.77Å; I362-E385 HydrophobicContact CD1-CG 4.38Å
363	Y	91.6	Very high	96.6	Very high	57 Å²	57	26 Å²	26	22%	0.224	12%	0.124	C	C	.	.			trans	-174.9	169.1	178.6	45	-107.6	0	0	0	108.7	P57 T58 Y62 A365	P57-Y363 HydrophobicContact CB-CE1 4.18Å; T58-Y363 HydrophobicContact CG2-CE2 4.02Å; T58-Y363 VanDerWaalsContact CG2-OH 3.28Å; T58-Y363 WeakPolarHBondContact CG2-OH 3.31Å; Y62-Y363 HydrophobicContact CD1-CD1 4.35Å; Y62-Y363 HydrophobicContact CD1-CD2 4.29Å; Y62-Y363 AromaticContact CD1-CG 3.86Å; Y62-Y363 HydrophobicContact CD1-CG 3.86Å; Y62-Y363 HydrophobicContact CD2-CD1 4.36Å; Y62-Y363 HydrophobicContact CD2-CD2 4.37Å; Y62-Y363 HydrophobicContact CD2-CG 4.33Å; Y62-Y363 AromaticContact CE1-CD2 3.77Å; Y62-Y363 HydrophobicContact CE1-CD2 3.77Å; Y62-Y363 AromaticContact CE1-CG 3.78Å; Y62-Y363 HydrophobicContact CE1-CG 3.78Å; Y62-Y363 AromaticContact CE2-CD2 3.89Å; Y62-Y363 HydrophobicContact CE2-CD2 3.89Å; Y62-Y363 AromaticContact CE2-CE2 3.99Å; Y62-Y363 HydrophobicContact CE2-CE2 3.99Å; Y62-Y363 HydrophobicContact CE2-CG 4.27Å; Y62-Y363 HydrophobicContact CG-CD1 4.2Å; Y62-Y363 HydrophobicContact CG-CG 4.13Å; Y62-Y363 AromaticContact CZ-CD2 3.56Å; Y62-Y363 AromaticContact CZ-CG 3.99Å; Y363-A365 PolarHBondContact O-N 3.1Å
364	L	94.9	Very high	96.6	Very high	37 Å²	37	25.9 Å²	25.9	19%	0.194	12%	0.123	C	C	.	.			trans	-65.3	132	175.4	-68.7	169.1	0	0	0	111.2	Y62 K268 G269 S322 A359	Y62-L364 PolarHBondContact OH-O 3.3Å; K268-L364 HydrophobicContact CD-CD1 4.31Å; G269-L364 WeakPolarHBondContact CA-O 3.48Å; S322-L364 CarbonylContact O-C 3.58Å; S322-L364 WeakPolarHBondContact O-CA 3.48Å; A359-L364 HydrophobicContact CB-CD2 3.8Å
365	A	95.8	Very high	96.6	Very high	12 Å²	12	24.7 Å²	24.7	10%	0.099	12%	0.122	C	C	.	.			trans	-144.6	82.2	-178.7	0	0	0	0	0	110	R259 S322 Y363	R259-A365 VanDerWaalsContact CZ-CB 3.46Å; S322-A365 WeakPolarHBondContact CB-O 3.49Å; S322-A365 PolarHBondContact O-N 3.4Å; Y363-A365 PolarHBondContact O-N 3.1Å
366	P	97.3	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	157	178.1	28	-30.7	0	0	0	112.6	R259 N264 T267 K268 A270 C323 G368	R259-P366 WeakPolarHBondContact CD-O 3.3Å; N264-P366 WeakPolarHBondContact O-CB 3.04Å; T267-P366 WeakPolarHBondContact O-CG 3.2Å; T267-P366 VanDerWaalsContact OG1-CB 3.3Å; T267-P366 WeakPolarHBondContact OG1-CB 3.31Å; T267-P366 WeakPolarHBondContact OG1-CG 3.33Å; K268-P366 WeakPolarHBondContact O-CD 3.41Å; A270-P366 HydrophobicContact CB-CG 3.97Å; C323-P366 HydrophobicContact CB-CB 3.96Å; P366-G368 PolarHBondContact O-N 2.91Å
367	G	97.9	Very high	96.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	19.8	-176.9	0	0	0	0	0	114.2	N258 R259 N260 F261 A263	N258-G367 CarbonylContact C-O 3.51Å; R259-G367 CarbonylContact C-O 3.57Å; R259-G367 VanDerWaalsContact C-O 3.29Å; R259-G367 WeakPolarHBondContact CA-O 3.21Å; R259-G367 PolarHBondContact N-O 2.91Å; N260-G367 PolarHBondContact N-O 2.98Å; F261-G367 WeakPolarHBondContact CB-O 3.35Å; F261-G367 PolarHBondContact N-O 3.38Å; F261-G367 WeakPolarHBondContact O-CA 3.13Å; A263-G367 PolarHBondContact O-N 2.97Å
368	G	98.1	Very high	96.6	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	13%	0.13	C	C	.	.			trans	-71.3	145.6	173.3	0	0	0	0	0	112.2	N258 P366 D370 W372	N258-G368 VanDerWaalsContact OD1-CA 3.28Å; N258-G368 WeakPolarHBondContact OD1-CA 3.44Å; P366-G368 PolarHBondContact O-N 2.91Å; G368-D370 VanDerWaalsContact C-N 3.31Å; G368-D370 PolarHBondContact O-N 3.11Å; G368-W372 WeakPolarHBondContact O-CB 3.48Å; G368-W372 PolarHBondContact O-N 3.09Å
369	S	98.5	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-30.9	-179.4	61.2	0	0	0	0	113	N258 Y307 W372 A373	N258-S369 PolarHBondContact OD1-N 3.24Å; N258-S369 PolarHBondContact OD1-OG 2.9Å; Y307-S369 WeakPolarHBondContact OH-CB 3.34Å; Y307-S369 PolarHBondContact OH-OG 2.62Å; S369-W372 PolarHBondContact O-N 3.28Å; S369-A373 VanDerWaalsContact O-CB 3.29Å; S369-A373 WeakPolarHBondContact O-CB 3.44Å; S369-A373 PolarHBondContact O-N 3.46Å
370	D	98.3	Very high	96.7	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-46.9	179.2	58	-10.8	0	0	0	112.7	Y307 P320 S322 G368 A373 Y374 S381 T383	Y307-D370 HydrophobicContact CE1-CB 4.22Å; P320-D370 HydrophobicContact CG-CB 4.35Å; S322-D370 PolarHBondContact OG-OD1 3.11Å; S322-D370 PolarHBondContact OG-OD2 3.31Å; G368-D370 VanDerWaalsContact C-N 3.31Å; G368-D370 PolarHBondContact O-N 3.11Å; D370-A373 PolarHBondContact O-N 2.87Å; D370-Y374 WeakPolarHBondContact O-CB 3.5Å; D370-Y374 PolarHBondContact O-N 3.31Å; D370-S381 VanDerWaalsContact CA-OG 3.29Å; D370-S381 WeakPolarHBondContact CA-OG 3.38Å; D370-S381 WeakPolarHBondContact O-CB 3.15Å; D370-S381 PolarHBondContact O-OG 3.34Å; D370-T383 WeakPolarHBondContact CB-OG1 3.44Å; D370-T383 VanDerWaalsContact CG-OG1 3.27Å; D370-T383 PolarHBondContact OD2-OG1 3.22Å
371	D	98.6	Very high	96.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-43.3	173.1	-80.4	9	0	0	0	111.2	A263 P320 Y321 S322 C323 Y374 N375	A263-D371 HydrophobicContact CB-CB 3.83Å; P320-D371 WeakPolarHBondContact CA-OD1 3.38Å; P320-D371 WeakPolarHBondContact CB-OD1 3.43Å; P320-D371 WeakPolarHBondContact CG-OD1 3.31Å; Y321-D371 VanDerWaalsContact CA-OD1 3.31Å; Y321-D371 WeakPolarHBondContact CA-OD1 3.37Å; Y321-D371 HydrophobicContact CD1-CB 4.37Å; S322-D371 WeakPolarHBondContact CA-OD2 3.33Å; S322-D371 VanDerWaalsContact N-CG 3.25Å; S322-D371 PolarHBondContact N-OD1 3.37Å; S322-D371 PolarHBondContact N-OD2 3.04Å; C323-D371 WeakPolarHBondContact CB-OD2 3.4Å; C323-D371 PolarHBondContact N-OD2 3.21Å; C323-D371 PolarHBondContact SG-OD2 2.93Å; D371-Y374 PolarHBondContact O-N 2.79Å; D371-N375 WeakPolarHBondContact O-CB 3.34Å; D371-N375 VanDerWaalsContact O-CG 3.22Å; D371-N375 PolarHBondContact O-N 3.2Å; D371-N375 PolarHBondContact O-ND2 2.77Å
372	W	98.7	Very high	97.2	Very high	14 Å²	14	22.6 Å²	22.6	5%	0.053	12%	0.118	C	C	.	.	H	α-helix	trans	-62.8	-45.9	177.6	175.4	92.8	0	0	0	111.9	F261 A263 E285 A294 L297 R298 G368 S369 Y374 N375 L376	F261-W372 HydrophobicContact CB-CB 3.73Å; F261-W372 HydrophobicContact CB-CG 3.9Å; F261-W372 HydrophobicContact CD1-CB 4.28Å; F261-W372 AromaticContact CD1-CD2 3.83Å; F261-W372 HydrophobicContact CD1-CD2 3.83Å; F261-W372 HydrophobicContact CD1-CE3 4.05Å; F261-W372 AromaticContact CD1-CG 3.93Å; F261-W372 HydrophobicContact CD1-CG 3.93Å; F261-W372 HydrophobicContact CE1-CE3 4.36Å; F261-W372 HydrophobicContact CG-CB 4.31Å; F261-W372 HydrophobicContact CG-CG 4.35Å; A263-W372 HydrophobicContact CB-CB 3.94Å; E285-W372 PolarHBondContact OE1-NE1 3.43Å; A294-W372 VanDerWaalsContact CA-CH2 3.41Å; A294-W372 HydrophobicContact CB-CH2 3.85Å; A294-W372 HydrophobicContact CB-CZ2 3.56Å; A294-W372 WeakPolarHBondContact O-CH2 3.45Å; L297-W372 HydrophobicContact CB-CH2 3.76Å; L297-W372 HydrophobicContact CB-CZ3 3.76Å; L297-W372 HydrophobicContact CD1-CH2 4.48Å; L297-W372 HydrophobicContact CD1-CZ3 3.71Å; L297-W372 HydrophobicContact CG-CZ3 4.39Å; R298-W372 HydrophobicContact CG-CH2 4.34Å; R298-W372 HydrophobicContact CG-CZ2 4.08Å; G368-W372 WeakPolarHBondContact O-CB 3.48Å; G368-W372 PolarHBondContact O-N 3.09Å; S369-W372 PolarHBondContact O-N 3.28Å; W372-Y374 VanDerWaalsContact C-N 3.29Å; W372-Y374 PolarHBondContact O-N 2.85Å; W372-N375 PolarHBondContact O-N 2.89Å; W372-L376 HydrophobicContact CH2-CD2 3.59Å; W372-L376 HydrophobicContact CZ2-CD2 4.19Å; W372-L376 HydrophobicContact CZ3-CD2 3.93Å; W372-L376 WeakPolarHBondContact O-CB 3.38Å; W372-L376 PolarHBondContact O-N 2.87Å
373	A	98.6	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.6	-38.6	177.5	0	0	0	0	0	111.5	Y307 S369 D370 L376 G377 I378	Y307-A373 HydrophobicContact CD1-CB 3.86Å; Y307-A373 HydrophobicContact CD2-CB 3.72Å; Y307-A373 HydrophobicContact CE1-CB 4.32Å; Y307-A373 HydrophobicContact CE2-CB 4.23Å; Y307-A373 HydrophobicContact CG-CB 3.55Å; S369-A373 VanDerWaalsContact O-CB 3.29Å; S369-A373 WeakPolarHBondContact O-CB 3.44Å; S369-A373 PolarHBondContact O-N 3.46Å; D370-A373 PolarHBondContact O-N 2.87Å; A373-L376 WeakPolarHBondContact O-CB 3.27Å; A373-L376 PolarHBondContact O-N 2.8Å; A373-G377 PolarHBondContact O-N 3.38Å; A373-I378 HydrophobicContact CB-CD1 4.29Å; A373-I378 WeakPolarHBondContact O-CB 3.24Å; A373-I378 PolarHBondContact O-N 2.79Å
374	Y	98.6	Very high	97.9	Very high	11 Å²	11	17.8 Å²	17.8	4%	0.043	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-47.7	174.2	-173	-86.8	0	0	0	111.8	P320 Y321 V328 P329 N330 L334 D370 D371 W372 L376 G377 H379	P320-Y374 HydrophobicContact CB-CG 4.29Å; P320-Y374 HydrophobicContact CG-CD2 4.43Å; P320-Y374 HydrophobicContact CG-CG 4.28Å; Y321-Y374 AromaticContact CE1-CD1 3.97Å; Y321-Y374 HydrophobicContact CE1-CD1 3.97Å; Y321-Y374 HydrophobicContact CE1-CE1 4.49Å; V328-Y374 HydrophobicContact CB-CE1 4.01Å; V328-Y374 HydrophobicContact CB-CE2 4.19Å; V328-Y374 HydrophobicContact CG1-CD1 4.01Å; V328-Y374 HydrophobicContact CG1-CD2 4.44Å; V328-Y374 HydrophobicContact CG1-CE1 3.62Å; V328-Y374 HydrophobicContact CG1-CE2 4.07Å; V328-Y374 HydrophobicContact CG1-CG 4.43Å; P329-Y374 WeakPolarHBondContact CD-OH 3.25Å; N330-Y374 VanDerWaalsContact OD1-CE2 3.26Å; N330-Y374 WeakPolarHBondContact OD1-CE2 3.43Å; N330-Y374 PolarHBondContact OD1-OH 3.03Å; L334-Y374 HydrophobicContact CD1-CE2 4.23Å; D370-Y374 WeakPolarHBondContact O-CB 3.5Å; D370-Y374 PolarHBondContact O-N 3.31Å; D371-Y374 PolarHBondContact O-N 2.79Å; W372-Y374 VanDerWaalsContact C-N 3.29Å; W372-Y374 PolarHBondContact O-N 2.85Å; Y374-L376 PolarHBondContact O-N 3.2Å; Y374-G377 PolarHBondContact O-N 2.82Å; Y374-H379 HydrophobicContact CE2-CB 4.19Å; Y374-H379 WeakPolarHBondContact CE2-O 3.43Å; Y374-H379 AromaticContact CZ-ND1 3.9Å
375	N	97.9	Very high	98.1	Very high	87 Å²	87	17.4 Å²	17.4	47%	0.465	9%	0.094	S	C	.	.	H	α-helix	trans	-64.3	-28	178.1	-71.1	-17.7	0	0	0	113	Y321 D371 W372 G377	Y321-N375 WeakPolarHBondContact CE1-OD1 3.46Å; Y321-N375 PolarHBondContact OH-OD1 3.46Å; D371-N375 WeakPolarHBondContact O-CB 3.34Å; D371-N375 VanDerWaalsContact O-CG 3.22Å; D371-N375 PolarHBondContact O-N 3.2Å; D371-N375 PolarHBondContact O-ND2 2.77Å; W372-N375 PolarHBondContact O-N 2.89Å; N375-G377 PolarHBondContact O-N 3.44Å
376	L	98	Very high	98.2	Very high	44 Å²	44	16.8 Å²	16.8	23%	0.23	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.2	172.8	-176	63.4	0	0	0	113.1	L297 R298 K301 W372 A373 Y374 I378	L297-L376 HydrophobicContact CB-CD2 4.15Å; R298-L376 HydrophobicContact CG-CD1 3.98Å; R298-L376 HydrophobicContact CG-CD2 4.33Å; K301-L376 HydrophobicContact CB-CD1 4.36Å; K301-L376 HydrophobicContact CB-CD2 4.1Å; K301-L376 HydrophobicContact CB-CG 3.99Å; K301-L376 HydrophobicContact CD-CD1 4.12Å; W372-L376 HydrophobicContact CH2-CD2 3.59Å; W372-L376 HydrophobicContact CZ2-CD2 4.19Å; W372-L376 HydrophobicContact CZ3-CD2 3.93Å; W372-L376 WeakPolarHBondContact O-CB 3.38Å; W372-L376 PolarHBondContact O-N 2.87Å; A373-L376 WeakPolarHBondContact O-CB 3.27Å; A373-L376 PolarHBondContact O-N 2.8Å; Y374-L376 PolarHBondContact O-N 3.2Å; L376-I378 HydrophobicContact CD2-CD1 4.48Å
377	G	97.4	Very high	98.2	Very high	28 Å²	28	17.1 Å²	17.1	29%	0.289	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.7	8.6	-179.4	0	0	0	0	0	114.8	A373 Y374 N375 H379	A373-G377 PolarHBondContact O-N 3.38Å; Y374-G377 PolarHBondContact O-N 2.82Å; N375-G377 PolarHBondContact O-N 3.44Å; G377-H379 PolarHBondContact O-N 3.15Å
378	I	97.8	Very high	98.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.093	C	C	.	.			trans	-88	78.9	173.6	-50.8	168.2	0	0	0	107.9	L297 V304 A373 L376 Y380	L297-I378 HydrophobicContact CD2-CD1 4.22Å; V304-I378 HydrophobicContact CB-CD1 4.19Å; V304-I378 HydrophobicContact CG1-CD1 3.79Å; V304-I378 HydrophobicContact CG1-CG1 4.34Å; V304-I378 HydrophobicContact CG1-CG2 4.18Å; A373-I378 HydrophobicContact CB-CD1 4.29Å; A373-I378 WeakPolarHBondContact O-CB 3.24Å; A373-I378 PolarHBondContact O-N 2.79Å; L376-I378 HydrophobicContact CD2-CD1 4.48Å; I378-Y380 PolarHBondContact O-N 2.82Å
379	H	96.1	Very high	97.9	Very high	100 Å²	100	24.7 Å²	24.7	46%	0.463	12%	0.119	S	C	.	.			trans	-66.4	-7.5	-169.5	-61.2	-55.4	0	0	0	115.8	N330 Y374 G377	N330-H379 PolarHBondContact ND2-O 3.03Å; Y374-H379 HydrophobicContact CE2-CB 4.19Å; Y374-H379 WeakPolarHBondContact CE2-O 3.43Å; Y374-H379 AromaticContact CZ-ND1 3.9Å; G377-H379 PolarHBondContact O-N 3.15Å
380	Y	98.6	Very high	97.7	Very high	28 Å²	28	24.7 Å²	24.7	11%	0.11	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	93.1	167.1	-57.2	-74.8	0	0	0	108.4	K305 L306 Y307 E333 L334 L337 I378 V419 T423	K305-Y380 WeakPolarHBondContact O-CB 3.38Å; K305-Y380 WeakPolarHBondContact O-CD2 3.31Å; L306-Y380 CarbonylContact C-O 3.58Å; L306-Y380 WeakPolarHBondContact CA-O 3.36Å; L306-Y380 WeakPolarHBondContact CD1-O 3.37Å; Y307-Y380 PolarHBondContact N-O 3.18Å; E333-Y380 HydrophobicContact CG-CE1 4.25Å; E333-Y380 WeakPolarHBondContact OE1-CE1 3.46Å; E333-Y380 PolarHBondContact OE1-OH 3.42Å; L334-Y380 HydrophobicContact CD2-CD1 3.78Å; L334-Y380 HydrophobicContact CD2-CE1 4.4Å; L337-Y380 HydrophobicContact CD1-CD1 3.94Å; L337-Y380 HydrophobicContact CD1-CE1 4.04Å; I378-Y380 PolarHBondContact O-N 2.82Å; Y380-V419 HydrophobicContact CD1-CG2 3.73Å; Y380-V419 HydrophobicContact CD2-CB 4.45Å; Y380-V419 HydrophobicContact CD2-CG1 3.58Å; Y380-V419 HydrophobicContact CD2-CG2 4.09Å; Y380-V419 HydrophobicContact CE1-CG2 4.23Å; Y380-V419 HydrophobicContact CE2-CG1 3.98Å; Y380-V419 HydrophobicContact CG-CB 4.48Å; Y380-V419 HydrophobicContact CG-CG1 3.98Å; Y380-V419 HydrophobicContact CG-CG2 3.66Å; Y380-T423 HydrophobicContact CD2-CG2 4.4Å; Y380-T423 HydrophobicContact CE2-CG2 3.84Å
381	S	98.7	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126	-177.4	-174.9	0	0	0	0	108.9	Y307 P320 D370	Y307-S381 WeakPolarHBondContact CD1-OG 3.45Å; Y307-S381 WeakPolarHBondContact O-CA 3.46Å; P320-S381 WeakPolarHBondContact CD-O 3.28Å; D370-S381 VanDerWaalsContact CA-OG 3.29Å; D370-S381 WeakPolarHBondContact CA-OG 3.38Å; D370-S381 WeakPolarHBondContact O-CB 3.15Å; D370-S381 PolarHBondContact O-OG 3.34Å
382	F	98.9	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.8	-175.9	-53.7	-85.9	0	0	0	112.3	L306 Y307 L308 S309 L318 F319 L334 L337 V338 F384 I415	L306-F382 HydrophobicContact CD1-CD2 3.66Å; L306-F382 HydrophobicContact CD1-CE2 3.7Å; Y307-F382 PolarHBondContact O-N 2.96Å; L308-F382 WeakPolarHBondContact CA-O 3.35Å; L308-F382 HydrophobicContact CD2-CB 3.83Å; L308-F382 HydrophobicContact CD2-CD2 3.8Å; L308-F382 HydrophobicContact CD2-CG 4.25Å; S309-F382 PolarHBondContact N-O 3.15Å; L318-F382 VanDerWaalsContact O-CA 3.24Å; L318-F382 WeakPolarHBondContact O-CA 3.43Å; L318-F382 WeakPolarHBondContact O-CB 3.49Å; F319-F382 HydrophobicContact CB-CD1 3.82Å; F319-F382 HydrophobicContact CB-CE1 4.08Å; L334-F382 HydrophobicContact CB-CE1 4.2Å; L334-F382 HydrophobicContact CD2-CE1 4.07Å; L334-F382 HydrophobicContact CD2-CZ 3.69Å; L337-F382 HydrophobicContact CB-CZ 4.25Å; L337-F382 HydrophobicContact CD1-CZ 3.88Å; V338-F382 HydrophobicContact CG1-CD1 3.55Å; V338-F382 HydrophobicContact CG1-CE1 3.64Å; F382-F384 HydrophobicContact CB-CD2 4.42Å; F382-F384 HydrophobicContact CB-CE2 4.08Å; F382-I415 HydrophobicContact CD2-CG2 3.86Å; F382-I415 HydrophobicContact CE2-CG2 3.45Å; F382-I415 VanDerWaalsContact CE2-CG2 3.45Å; F382-I415 HydrophobicContact CZ-CG2 4Å
383	T	98.9	Very high	97.4	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.7	173.2	-68.1	0	0	0	0	109	S309 L318 D370	S309-T383 WeakPolarHBondContact O-CA 3.4Å; L318-T383 HydrophobicContact CD1-CG2 4.09Å; L318-T383 PolarHBondContact N-O 3.24Å; L318-T383 PolarHBondContact O-N 3.13Å; D370-T383 WeakPolarHBondContact CB-OG1 3.44Å; D370-T383 VanDerWaalsContact CG-OG1 3.27Å; D370-T383 PolarHBondContact OD2-OG1 3.22Å
384	F	98.9	Very high	97.3	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120	178.5	-79.5	-126.4	0	0	0	109.3	L308 S309 I310 H311 L317 F382 L386 A411 L412 I415	L308-F384 HydrophobicContact CD2-CE2 3.81Å; S309-F384 PolarHBondContact O-N 2.56Å; I310-F384 HydrophobicContact CD1-CB 3.8Å; I310-F384 HydrophobicContact CD1-CD1 4.37Å; I310-F384 HydrophobicContact CD1-CD2 4.14Å; I310-F384 HydrophobicContact CD1-CG 3.87Å; H311-F384 CarbonylContact C-O 3.57Å; H311-F384 VanDerWaalsContact CA-O 3.31Å; H311-F384 WeakPolarHBondContact CA-O 3.49Å; H311-F384 VanDerWaalsContact CB-O 3.32Å; H311-F384 WeakPolarHBondContact CB-O 3.48Å; H311-F384 PolarHBondContact N-O 3.24Å; L317-F384 HydrophobicContact CD2-CD1 3.45Å; L317-F384 VanDerWaalsContact CD2-CD1 3.45Å; L317-F384 HydrophobicContact CD2-CD2 4.23Å; L317-F384 HydrophobicContact CD2-CE1 3.51Å; L317-F384 HydrophobicContact CD2-CE2 4.24Å; L317-F384 HydrophobicContact CD2-CG 3.85Å; L317-F384 HydrophobicContact CD2-CZ 3.92Å; F382-F384 HydrophobicContact CB-CD2 4.42Å; F382-F384 HydrophobicContact CB-CE2 4.08Å; F384-L386 HydrophobicContact CB-CD2 4.11Å; F384-L386 HydrophobicContact CD1-CD2 4.3Å; F384-A411 HydrophobicContact CE1-CB 3.77Å; F384-A411 HydrophobicContact CZ-CB 4.41Å; F384-L412 HydrophobicContact CE1-CB 4.35Å; F384-L412 HydrophobicContact CZ-CB 4.37Å; F384-I415 HydrophobicContact CE2-CD1 4.13Å; F384-I415 HydrophobicContact CZ-CD1 3.82Å
385	E	98.8	Very high	97.3	Very high	29 Å²	29	34 Å²	34	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	106	167	-65.3	-69.9	-179.8	0	0	108.2	H311 S312 Q315 M316 L318 I362	H311-E385 VanDerWaalsContact CB-OE2 3.27Å; H311-E385 WeakPolarHBondContact CB-OE2 3.3Å; S312-E385 WeakPolarHBondContact CA-OE2 3.4Å; S312-E385 PolarHBondContact N-OE2 3.5Å; Q315-E385 CarbonylContact C-O 3.54Å; Q315-E385 WeakPolarHBondContact CA-O 3.39Å; Q315-E385 PolarHBondContact N-O 3.2Å; M316-E385 HydrophobicContact CB-CB 3.92Å; M316-E385 HydrophobicContact CB-CG 4.23Å; M316-E385 HydrophobicContact CG-CB 4.14Å; M316-E385 PolarHBondContact N-O 3.12Å; M316-E385 PolarHBondContact O-N 2.74Å; L318-E385 HydrophobicContact CD1-CG 4.25Å; I362-E385 HydrophobicContact CD1-CG 4.38Å
386	L	98.6	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-173.9	-173.1	-60.8	-167.9	0	0	0	113.4	I188 F192 I310 H311 Y313 G314 Q315 F384 A408	I188-L386 HydrophobicContact CG1-CD1 4.24Å; I188-L386 HydrophobicContact CG2-CB 4.16Å; I188-L386 HydrophobicContact CG2-CD1 4.46Å; F192-L386 HydrophobicContact CB-CD1 3.93Å; F192-L386 HydrophobicContact CG-CD1 4.24Å; I310-L386 HydrophobicContact CG2-CD1 3.64Å; I310-L386 HydrophobicContact CG2-CD2 4.32Å; I310-L386 HydrophobicContact CG2-CG 3.89Å; H311-L386 WeakPolarHBondContact O-CB 3.23Å; H311-L386 WeakPolarHBondContact O-CG 3.17Å; H311-L386 PolarHBondContact O-N 3.35Å; Y313-L386 WeakPolarHBondContact CA-O 3.2Å; G314-L386 PolarHBondContact N-O 2.95Å; G314-L386 VanDerWaalsContact N-O 3.13Å; Q315-L386 PolarHBondContact N-O 3.49Å; Q315-L386 VanDerWaalsContact N-O 3.17Å; F384-L386 HydrophobicContact CB-CD2 4.11Å; F384-L386 HydrophobicContact CD1-CD2 4.3Å; L386-A408 HydrophobicContact CD1-CB 4.26Å; L386-A408 HydrophobicContact CD2-CB 3.56Å
387	E	96.8	Very high	97.3	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.033	12%	0.124	C	C	.	.	S	Bend	trans	-54.8	145.8	175	-111.6	-171.7	-136.5	0	0	112	Q315 N351 L396 K403 A404 E407	Q315-E387 HydrophobicContact CG-CG 4.14Å; N351-E387 PolarHBondContact ND2-OE1 3.39Å; E387-L396 HydrophobicContact CB-CD1 4.47Å; E387-L396 HydrophobicContact CB-CD2 4.22Å; E387-K403 IonicContact OE1-NZ 3.5Å; E387-K403 PolarHBondContact OE1-NZ 3.49Å; E387-K403 IonicContact OE2-NZ 2.67Å; E387-A404 HydrophobicContact CB-CB 3.9Å; E387-E407 VanDerWaalsContact CG-OE1 3.25Å; E387-E407 WeakPolarHBondContact CG-OE1 3.41Å
388	D	96	Very high	97.1	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.064	12%	0.117	C	C	.	.			cis	-110.6	-150.8	-1	68.9	11.8	0	0	0	112.7	G314 G390 R391 Y392 G393 L396	G314-D388 WeakPolarHBondContact CA-O 3.46Å; G314-D388 PolarHBondContact N-O 3.17Å; D388-G390 WeakPolarHBondContact OD1-CA 3.41Å; D388-G390 PolarHBondContact OD1-N 2.96Å; D388-R391 PolarHBondContact OD1-N 2.99Å; D388-R391 WeakPolarHBondContact OD2-CB 3.31Å; D388-R391 PolarHBondContact OD2-N 3.37Å; D388-Y392 PolarHBondContact OD1-N 2.83Å; D388-Y392 WeakPolarHBondContact OD2-CB 3.43Å; D388-Y392 WeakPolarHBondContact OD2-CD2 3.42Å; D388-Y392 PolarHBondContact OD2-N 3.3Å; D388-G393 PolarHBondContact OD1-N 3.09Å; D388-L396 HydrophobicContact CB-CD1 4.15Å
389	R	94.4	Very high	96.9	Very high	148 Å²	148	32.4 Å²	32.4	56%	0.558	15%	0.149	S	C	*	.	S	Bend	trans	-102.8	15.6	177.4	-65.3	-179.6	62.3	-165.2	-4.1	113.3	Q315	Q315-R389 HydrophobicContact CB-CG 4.12Å; Q315-R389 HydrophobicContact CG-CG 4.04Å
390	G	93.3	Very high	97	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	14%	0.138	C	C	.	.	S	Bend	trans	116.4	-2	175.9	0	0	0	0	0	115.4	L95 Y313 D388	L95-G390 WeakPolarHBondContact CD1-O 3.24Å; Y313-G390 VanDerWaalsContact CE2-CA 3.45Å; D388-G390 WeakPolarHBondContact OD1-CA 3.41Å; D388-G390 PolarHBondContact OD1-N 2.96Å
391	R	93.9	Very high	96.9	Very high	166 Å²	166	28.5 Å²	28.5	63%	0.626	13%	0.133	S	C	*	.	S	Bend	trans	-62.5	-49	175.8	172.3	179.1	178.8	162.3	2.3	110.2	L96 D388	L96-R391 VanDerWaalsContact CD2-O 3.25Å; L96-R391 WeakPolarHBondContact CD2-O 3.39Å; L96-R391 WeakPolarHBondContact CG-O 3.48Å; D388-R391 PolarHBondContact OD1-N 2.99Å; D388-R391 WeakPolarHBondContact OD2-CB 3.31Å; D388-R391 PolarHBondContact OD2-N 3.37Å
392	Y	97.2	Very high	96.8	Very high	49 Å²	49	29.9 Å²	29.9	19%	0.192	14%	0.143	C	C	.	.	S	Bend	trans	-108.8	-24	173.4	-61.1	-73.4	0	0	0	112	W55 L96 L102 D388 F394 L395 L396 P397 L400	W55-Y392 WeakPolarHBondContact CH2-O 3.31Å; W55-Y392 WeakPolarHBondContact CZ3-O 3.48Å; L96-Y392 HydrophobicContact CD2-CD1 3.92Å; L96-Y392 HydrophobicContact CD2-CE1 4.35Å; L102-Y392 HydrophobicContact CD1-CD1 3.87Å; L102-Y392 HydrophobicContact CD1-CE1 4.34Å; L102-Y392 HydrophobicContact CD2-CE1 4.48Å; D388-Y392 PolarHBondContact OD1-N 2.83Å; D388-Y392 WeakPolarHBondContact OD2-CB 3.43Å; D388-Y392 WeakPolarHBondContact OD2-CD2 3.42Å; D388-Y392 PolarHBondContact OD2-N 3.3Å; Y392-F394 PolarHBondContact O-N 2.99Å; Y392-L395 WeakPolarHBondContact O-CA 3.46Å; Y392-L395 PolarHBondContact O-N 2.99Å; Y392-L396 HydrophobicContact CD2-CD1 4.36Å; Y392-P397 HydrophobicContact CD1-CG 3.72Å; Y392-P397 HydrophobicContact CD2-CG 4.28Å; Y392-P397 HydrophobicContact CE1-CG 3.64Å; Y392-P397 HydrophobicContact CE2-CG 4.22Å; Y392-P397 VanDerWaalsContact CG-CD 3.42Å; Y392-P397 HydrophobicContact CG-CG 4.05Å; Y392-L400 HydrophobicContact CD2-CD1 4.09Å; Y392-L400 HydrophobicContact CE2-CD1 3.97Å
393	G	97.5	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	52.1	-120.5	-179.2	0	0	0	0	0	111.6	D388 L395	D388-G393 PolarHBondContact OD1-N 3.09Å; G393-L395 PolarHBondContact O-N 3.46Å
394	F	98.3	Very high	96.6	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.035	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-73.7	-13.7	179.2	-52.7	-57.9	0	0	0	114	W55 R185 E186 R238 S312 Y313 Y392	W55-F394 HydrophobicContact CB-CD2 4.33Å; W55-F394 HydrophobicContact CB-CE2 3.71Å; W55-F394 AromaticContact CD1-CD2 3.74Å; W55-F394 AromaticContact CD1-CE2 3.63Å; W55-F394 AromaticContact CD2-CD2 3.5Å; W55-F394 HydrophobicContact CD2-CD2 3.5Å; W55-F394 AromaticContact CD2-CE2 3.82Å; W55-F394 HydrophobicContact CD2-CE2 3.82Å; W55-F394 AromaticContact CE2-CD2 3.55Å; W55-F394 HydrophobicContact CE3-CD2 4.1Å; W55-F394 AromaticContact CG-CD2 3.62Å; W55-F394 HydrophobicContact CG-CD2 3.62Å; W55-F394 AromaticContact CG-CE2 3.43Å; W55-F394 HydrophobicContact CG-CE2 3.43Å; W55-F394 VanDerWaalsContact CG-CE2 3.43Å; W55-F394 HydrophobicContact CZ2-CB 4.38Å; W55-F394 HydrophobicContact CZ2-CD2 4.15Å; W55-F394 AromaticContact NE1-CD2 3.67Å; R185-F394 HydrophobicContact CG-CD1 4.06Å; R185-F394 HydrophobicContact CG-CD2 4.15Å; R185-F394 HydrophobicContact CG-CE1 4.31Å; R185-F394 HydrophobicContact CG-CE2 4.4Å; R185-F394 HydrophobicContact CG-CG 4Å; R185-F394 VanDerWaalsContact CZ-CE2 3.46Å; E186-F394 HydrophobicContact CG-CD1 3.85Å; E186-F394 HydrophobicContact CG-CE1 3.8Å; R238-F394 PolarHBondContact NH2-O 3.35Å; S312-F394 VanDerWaalsContact O-CE1 3.3Å; S312-F394 WeakPolarHBondContact O-CE1 3.22Å; Y313-F394 AromaticContact CD1-CD1 3.69Å; Y313-F394 HydrophobicContact CD1-CD1 3.69Å; Y313-F394 HydrophobicContact CD1-CD2 4.46Å; Y313-F394 AromaticContact CD1-CE1 3.49Å; Y313-F394 HydrophobicContact CD1-CE1 3.49Å; Y313-F394 VanDerWaalsContact CD1-CE1 3.49Å; Y313-F394 HydrophobicContact CD1-CE2 4.29Å; Y313-F394 HydrophobicContact CD1-CG 4.17Å; Y313-F394 AromaticContact CD1-CZ 3.79Å; Y313-F394 HydrophobicContact CD1-CZ 3.79Å; Y313-F394 HydrophobicContact CE1-CD1 4.18Å; Y313-F394 HydrophobicContact CE1-CD2 4.18Å; Y313-F394 AromaticContact CE1-CE1 3.81Å; Y313-F394 HydrophobicContact CE1-CE1 3.81Å; Y313-F394 AromaticContact CE1-CE2 3.81Å; Y313-F394 HydrophobicContact CE1-CE2 3.81Å; Y313-F394 HydrophobicContact CE1-CG 4.34Å; Y313-F394 AromaticContact CE1-CZ 3.58Å; Y313-F394 HydrophobicContact CE1-CZ 3.58Å; Y392-F394 PolarHBondContact O-N 2.99Å
395	L	98.1	Very high	96.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-98.6	33.4	-179.8	-63.8	178.7	0	0	0	112.5	W55 L96 T99 L102 I103 Q106 R238 M239 Y392 G393 P397	W55-L395 HydrophobicContact CH2-CB 4.17Å; W55-L395 HydrophobicContact CH2-CD1 3.92Å; W55-L395 HydrophobicContact CH2-CG 3.77Å; W55-L395 HydrophobicContact CZ2-CD1 4.12Å; W55-L395 HydrophobicContact CZ2-CG 4.05Å; L96-L395 HydrophobicContact CD1-CB 4.39Å; L96-L395 HydrophobicContact CD1-CD1 4.12Å; T99-L395 HydrophobicContact CG2-CD1 3.83Å; L102-L395 HydrophobicContact CB-CB 4.2Å; L102-L395 HydrophobicContact CB-CD1 4.43Å; L102-L395 HydrophobicContact CD1-CB 4.05Å; I103-L395 HydrophobicContact CD1-CD2 4.38Å; I103-L395 HydrophobicContact CG1-CD1 4.34Å; I103-L395 HydrophobicContact CG1-CD2 3.63Å; Q106-L395 VanDerWaalsContact NE2-C 3.27Å; R238-L395 HydrophobicContact CG-CD2 4.03Å; M239-L395 HydrophobicContact CE-CD1 3.91Å; M239-L395 HydrophobicContact CE-CD2 3.89Å; M239-L395 HydrophobicContact CE-CG 4.05Å; Y392-L395 WeakPolarHBondContact O-CA 3.46Å; Y392-L395 PolarHBondContact O-N 2.99Å; G393-L395 PolarHBondContact O-N 3.46Å; L395-P397 VanDerWaalsContact O-CD 3.31Å; L395-P397 WeakPolarHBondContact O-CD 3.31Å; L395-P397 VanDerWaalsContact O-N 3.17Å
396	L	97.9	Very high	96.6	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	16%	0.16	C	C	.	.			trans	-52.9	119.8	177.7	-168.6	75.5	0	0	0	110.6	Q106 Y124 I188 E387 D388 Y392 L400 A404	Q106-L396 PolarHBondContact NE2-O 2.7Å; Y124-L396 VanDerWaalsContact CE2-O 3.22Å; Y124-L396 WeakPolarHBondContact CE2-O 3.27Å; Y124-L396 PolarHBondContact OH-O 2.88Å; I188-L396 HydrophobicContact CB-CD2 4.25Å; I188-L396 HydrophobicContact CD1-CD2 4.03Å; I188-L396 HydrophobicContact CG1-CD2 3.89Å; E387-L396 HydrophobicContact CB-CD1 4.47Å; E387-L396 HydrophobicContact CB-CD2 4.22Å; D388-L396 HydrophobicContact CB-CD1 4.15Å; Y392-L396 HydrophobicContact CD2-CD1 4.36Å; L396-L400 HydrophobicContact CD1-CB 4.17Å; L396-L400 HydrophobicContact CD1-CD1 3.77Å; L396-L400 HydrophobicContact CD2-CB 4.36Å; L396-L400 HydrophobicContact CG-CB 4.07Å; L396-L400 HydrophobicContact CG-CD1 4.45Å; L396-A404 HydrophobicContact CD2-CB 3.95Å
397	P	96.4	Very high	96.5	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.039	16%	0.16	C	C	.	.			trans	-60.2	148.3	-176.1	-25.7	31.6	0	0	0	113.2	L102 Y392 L395 S399 L400	L102-P397 HydrophobicContact CD2-CG 4.07Å; Y392-P397 HydrophobicContact CD1-CG 3.72Å; Y392-P397 HydrophobicContact CD2-CG 4.28Å; Y392-P397 HydrophobicContact CE1-CG 3.64Å; Y392-P397 HydrophobicContact CE2-CG 4.22Å; Y392-P397 VanDerWaalsContact CG-CD 3.42Å; Y392-P397 HydrophobicContact CG-CG 4.05Å; L395-P397 VanDerWaalsContact O-CD 3.31Å; L395-P397 WeakPolarHBondContact O-CD 3.31Å; L395-P397 VanDerWaalsContact O-N 3.17Å; P397-S399 PolarHBondContact O-N 3.07Å; P397-S399 VanDerWaalsContact O-N 3.15Å; P397-L400 PolarHBondContact O-N 3.4Å
398	P	94.4	Very high	96.6	Very high	21 Å²	21	33.3 Å²	33.3	14%	0.136	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-52.8	-36.8	177.3	-29.3	36.2	0	0	0	114.4	E122 Y124 L400 I401	E122-P398 WeakPolarHBondContact O-CB 3.36Å; Y124-P398 HydrophobicContact CD2-CG 4.3Å; Y124-P398 HydrophobicContact CE2-CG 4.33Å; P398-L400 PolarHBondContact O-N 3.07Å; P398-I401 HydrophobicContact CB-CD1 4.22Å; P398-I401 WeakPolarHBondContact O-CB 3.41Å; P398-I401 WeakPolarHBondContact O-CG1 3.47Å; P398-I401 PolarHBondContact O-N 2.97Å
399	S	94	Very high	96.7	Very high	98 Å²	98	32.9 Å²	32.9	69%	0.685	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-61.2	-15.7	177.9	58.2	0	0	0	0	114.6	P397	P397-S399 PolarHBondContact O-N 3.07Å; P397-S399 VanDerWaalsContact O-N 3.15Å
400	L	96.5	Very high	96.9	Very high	45 Å²	45	27.4 Å²	27.4	24%	0.236	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-98.9	-8.8	176.8	-61.6	-175.4	0	0	0	113.5	Y392 L396 P397 P398 S402 K403 A404	Y392-L400 HydrophobicContact CD2-CD1 4.09Å; Y392-L400 HydrophobicContact CE2-CD1 3.97Å; L396-L400 HydrophobicContact CD1-CB 4.17Å; L396-L400 HydrophobicContact CD1-CD1 3.77Å; L396-L400 HydrophobicContact CD2-CB 4.36Å; L396-L400 HydrophobicContact CG-CB 4.07Å; L396-L400 HydrophobicContact CG-CD1 4.45Å; P397-L400 PolarHBondContact O-N 3.4Å; P398-L400 PolarHBondContact O-N 3.07Å; L400-S402 PolarHBondContact O-N 3.09Å; L400-K403 PolarHBondContact O-N 3.29Å; L400-K403 VanDerWaalsContact O-N 3.15Å; L400-A404 WeakPolarHBondContact O-CB 3.34Å; L400-A404 PolarHBondContact O-N 2.73Å
401	I	97.6	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-55.9	-49.9	-177.6	-68.4	171.5	0	0	0	110.8	Y121 R123 Y124 I188 A191 P398 K403 A404 C405	Y121-I401 VanDerWaalsContact O-CG2 3.27Å; Y121-I401 WeakPolarHBondContact O-CG2 3.25Å; R123-I401 VanDerWaalsContact C-CD1 3.46Å; Y124-I401 HydrophobicContact CD1-CD1 4.01Å; Y124-I401 HydrophobicContact CD2-CD1 3.98Å; Y124-I401 HydrophobicContact CE1-CD1 3.79Å; Y124-I401 HydrophobicContact CE1-CG1 4.08Å; Y124-I401 HydrophobicContact CE2-CD1 3.74Å; Y124-I401 HydrophobicContact CE2-CG1 4.21Å; Y124-I401 HydrophobicContact CG-CD1 4.12Å; I188-I401 HydrophobicContact CD1-CB 4.29Å; I188-I401 HydrophobicContact CD1-CG1 4.06Å; I188-I401 HydrophobicContact CD1-CG2 4.15Å; A191-I401 HydrophobicContact CB-CG2 4.26Å; P398-I401 HydrophobicContact CB-CD1 4.22Å; P398-I401 WeakPolarHBondContact O-CB 3.41Å; P398-I401 WeakPolarHBondContact O-CG1 3.47Å; P398-I401 PolarHBondContact O-N 2.97Å; I401-K403 VanDerWaalsContact C-N 3.3Å; I401-K403 PolarHBondContact O-N 3.05Å; I401-A404 PolarHBondContact O-N 3.44Å; I401-C405 VanDerWaalsContact O-CB 3.32Å; I401-C405 WeakPolarHBondContact O-CB 3.09Å; I401-C405 PolarHBondContact O-N 3.44Å; I401-C405 PolarHBondContact O-SG 3.16Å
402	S	96.6	Very high	97.4	Very high	30 Å²	30	19.5 Å²	19.5	21%	0.21	11%	0.108	C	C	.	.	H	α-helix	trans	-55.9	-44.6	179.7	-172.4	0	0	0	0	112	E122 W195 L400 N406	E122-S402 WeakPolarHBondContact OE1-CB 3.48Å; E122-S402 PolarHBondContact OE1-OG 3.21Å; W195-S402 VanDerWaalsContact CH2-OG 3.28Å; W195-S402 WeakPolarHBondContact CH2-OG 3.34Å; L400-S402 PolarHBondContact O-N 3.09Å; S402-N406 VanDerWaalsContact O-CB 3.29Å; S402-N406 WeakPolarHBondContact O-CB 3.34Å; S402-N406 VanDerWaalsContact O-CG 3.25Å; S402-N406 PolarHBondContact O-N 3.22Å; S402-N406 PolarHBondContact O-ND2 2.93Å; S402-N406 PolarHBondContact OG-ND2 3.15Å
403	K	96.5	Very high	97.5	Very high	76 Å²	76	18 Å²	18	33%	0.33	10%	0.103	S	C	.	.	H	α-helix	trans	-64.9	-50.8	179	-175.7	-177.7	171.7	-109.9	0	111.1	N351 E387 L400 I401 C405 N406 E407	N351-K403 PolarHBondContact ND2-NZ 3.29Å; N351-K403 VanDerWaalsContact ND2-NZ 3.16Å; E387-K403 IonicContact OE1-NZ 3.5Å; E387-K403 PolarHBondContact OE1-NZ 3.49Å; E387-K403 IonicContact OE2-NZ 2.67Å; L400-K403 PolarHBondContact O-N 3.29Å; L400-K403 VanDerWaalsContact O-N 3.15Å; I401-K403 VanDerWaalsContact C-N 3.3Å; I401-K403 PolarHBondContact O-N 3.05Å; K403-C405 PolarHBondContact O-N 2.9Å; K403-N406 PolarHBondContact O-N 3.45Å; K403-E407 WeakPolarHBondContact O-CG 3.32Å; K403-E407 PolarHBondContact O-N 3.3Å; K403-E407 VanDerWaalsContact O-N 3.08Å
404	A	97.8	Very high	97.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-43.4	179.9	0	0	0	0	0	112.2	I188 E387 L396 L400 I401 E407 A408	I188-A404 HydrophobicContact CD1-CB 3.91Å; I188-A404 HydrophobicContact CG1-CB 4.03Å; E387-A404 HydrophobicContact CB-CB 3.9Å; L396-A404 HydrophobicContact CD2-CB 3.95Å; L400-A404 WeakPolarHBondContact O-CB 3.34Å; L400-A404 PolarHBondContact O-N 2.73Å; I401-A404 PolarHBondContact O-N 3.44Å; A404-E407 WeakPolarHBondContact O-CG 3.18Å; A404-A408 WeakPolarHBondContact O-CB 3.25Å; A404-A408 PolarHBondContact O-N 2.87Å; A404-A408 VanDerWaalsContact O-N 3.13Å
405	C	98.5	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.3	-40.2	178	-69.6	0	0	0	0	112.3	F192 W195 I401 K403 A408 L409	F192-C405 HydrophobicContact CD2-CB 4.31Å; W195-C405 HydrophobicContact CB-CB 3.93Å; W195-C405 HydrophobicContact CD2-CB 3.59Å; W195-C405 HydrophobicContact CE3-CB 4.12Å; W195-C405 HydrophobicContact CG-CB 3.46Å; W195-C405 VanDerWaalsContact CG-CB 3.46Å; I401-C405 VanDerWaalsContact O-CB 3.32Å; I401-C405 WeakPolarHBondContact O-CB 3.09Å; I401-C405 PolarHBondContact O-N 3.44Å; I401-C405 PolarHBondContact O-SG 3.16Å; K403-C405 PolarHBondContact O-N 2.9Å; C405-A408 PolarHBondContact O-N 3.29Å; C405-L409 WeakPolarHBondContact O-CB 3.33Å; C405-L409 PolarHBondContact O-N 3.19Å
406	N	98.1	Very high	97.5	Very high	38 Å²	38	18 Å²	18	20%	0.203	10%	0.103	C	C	.	.	H	α-helix	trans	-70.3	-35.6	-179.3	-77.6	-51.6	0	0	0	112.9	W195 Y349 S402 K403 L410	W195-N406 WeakPolarHBondContact CZ2-ND2 3.5Å; Y349-N406 HydrophobicContact CE1-CB 4.2Å; Y349-N406 WeakPolarHBondContact OH-CB 3.28Å; S402-N406 VanDerWaalsContact O-CB 3.29Å; S402-N406 WeakPolarHBondContact O-CB 3.34Å; S402-N406 VanDerWaalsContact O-CG 3.25Å; S402-N406 PolarHBondContact O-N 3.22Å; S402-N406 PolarHBondContact O-ND2 2.93Å; S402-N406 PolarHBondContact OG-ND2 3.15Å; K403-N406 PolarHBondContact O-N 3.45Å; N406-L410 PolarHBondContact O-N 3.38Å; N406-L410 VanDerWaalsContact O-N 3.07Å
407	E	96.9	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.5	-41.3	172.8	63.7	167.5	-163.3	0	0	112.6	V345 Y349 N351 Y353 E387 K403 A404 L409 L410 A411	V345-E407 HydrophobicContact CG1-CB 4.21Å; Y349-E407 HydrophobicContact CD1-CB 4.32Å; Y349-E407 HydrophobicContact CD2-CB 3.79Å; Y349-E407 HydrophobicContact CE2-CB 4.19Å; Y349-E407 HydrophobicContact CG-CB 3.88Å; N351-E407 WeakPolarHBondContact CB-OE2 3.2Å; N351-E407 PolarHBondContact ND2-OE2 2.96Å; Y353-E407 VanDerWaalsContact OH-CD 3.23Å; Y353-E407 PolarHBondContact OH-OE1 2.91Å; E387-E407 VanDerWaalsContact CG-OE1 3.25Å; E387-E407 WeakPolarHBondContact CG-OE1 3.41Å; K403-E407 WeakPolarHBondContact O-CG 3.32Å; K403-E407 PolarHBondContact O-N 3.3Å; K403-E407 VanDerWaalsContact O-N 3.08Å; A404-E407 WeakPolarHBondContact O-CG 3.18Å; E407-L409 VanDerWaalsContact C-N 3.32Å; E407-L409 PolarHBondContact O-N 2.91Å; E407-L410 WeakPolarHBondContact O-CB 3.3Å; E407-L410 PolarHBondContact O-N 3.38Å; E407-A411 PolarHBondContact O-N 3.16Å; E407-A411 VanDerWaalsContact O-N 3.08Å
408	A	98.5	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-42.1	177	0	0	0	0	0	110.6	F192 L386 A404 C405 L410 A411 L412	F192-A408 HydrophobicContact CD2-CB 3.68Å; F192-A408 HydrophobicContact CE2-CB 3.52Å; F192-A408 HydrophobicContact CG-CB 4.43Å; F192-A408 HydrophobicContact CZ-CB 4.15Å; L386-A408 HydrophobicContact CD1-CB 4.26Å; L386-A408 HydrophobicContact CD2-CB 3.56Å; A404-A408 WeakPolarHBondContact O-CB 3.25Å; A404-A408 PolarHBondContact O-N 2.87Å; A404-A408 VanDerWaalsContact O-N 3.13Å; C405-A408 PolarHBondContact O-N 3.29Å; A408-L410 VanDerWaalsContact C-N 3.34Å; A408-L410 PolarHBondContact O-N 3.46Å; A408-A411 PolarHBondContact O-N 2.83Å; A408-L412 WeakPolarHBondContact O-CB 3.39Å; A408-L412 PolarHBondContact O-N 3.5Å
409	L	98.7	Very high	97.7	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-41.8	174.9	-179.7	67.3	0	0	0	111.5	F192 F196 Y199 C405 E407 L412 K413	F192-L409 HydrophobicContact CE2-CB 4.3Å; F196-L409 HydrophobicContact CD2-CD1 3.66Å; F196-L409 HydrophobicContact CE2-CD1 4.1Å; Y199-L409 HydrophobicContact CD1-CD1 4.48Å; Y199-L409 HydrophobicContact CD1-CD2 3.61Å; Y199-L409 HydrophobicContact CD2-CD2 3.81Å; Y199-L409 HydrophobicContact CE1-CD2 3.68Å; Y199-L409 HydrophobicContact CE2-CD2 3.88Å; Y199-L409 HydrophobicContact CG-CD2 3.68Å; C405-L409 WeakPolarHBondContact O-CB 3.33Å; C405-L409 PolarHBondContact O-N 3.19Å; E407-L409 VanDerWaalsContact C-N 3.32Å; E407-L409 PolarHBondContact O-N 2.91Å; L409-L412 PolarHBondContact O-N 2.67Å; L409-K413 HydrophobicContact CD1-CD 4.32Å; L409-K413 HydrophobicContact CD1-CG 4.16Å; L409-K413 HydrophobicContact CG-CD 4.31Å; L409-K413 HydrophobicContact CG-CG 4.42Å; L409-K413 WeakPolarHBondContact O-CB 3.25Å; L409-K413 VanDerWaalsContact O-CG 3.25Å; L409-K413 WeakPolarHBondContact O-CG 3.47Å; L409-K413 PolarHBondContact O-N 3.21Å
410	L	98.7	Very high	97.7	Very high	32 Å²	32	17.1 Å²	17.1	17%	0.168	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-46.4	176.1	175.9	64	0	0	0	111.7	K344 Y348 Y349 N406 E407 A408 S414	K344-L410 HydrophobicContact CB-CD2 4.21Å; K344-L410 HydrophobicContact CB-CG 4.38Å; Y348-L410 HydrophobicContact CD2-CD2 3.76Å; Y348-L410 HydrophobicContact CG-CD2 4.15Å; Y349-L410 HydrophobicContact CD2-CD2 3.95Å; Y349-L410 HydrophobicContact CE2-CB 4.18Å; Y349-L410 HydrophobicContact CE2-CD2 3.7Å; N406-L410 PolarHBondContact O-N 3.38Å; N406-L410 VanDerWaalsContact O-N 3.07Å; E407-L410 WeakPolarHBondContact O-CB 3.3Å; E407-L410 PolarHBondContact O-N 3.38Å; A408-L410 VanDerWaalsContact C-N 3.34Å; A408-L410 PolarHBondContact O-N 3.46Å; L410-S414 WeakPolarHBondContact O-CB 3.27Å; L410-S414 PolarHBondContact O-N 3.19Å; L410-S414 VanDerWaalsContact O-N 3.1Å
411	A	98.6	Very high	97.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-47.3	177.4	0	0	0	0	0	111.7	L317 A341 V345 F384 E407 A408 S414 I415	L317-A411 HydrophobicContact CD1-CB 4.11Å; L317-A411 HydrophobicContact CD2-CB 4.28Å; A341-A411 HydrophobicContact CB-CB 4.11Å; V345-A411 HydrophobicContact CG2-CB 3.9Å; F384-A411 HydrophobicContact CE1-CB 3.77Å; F384-A411 HydrophobicContact CZ-CB 4.41Å; E407-A411 PolarHBondContact O-N 3.16Å; E407-A411 VanDerWaalsContact O-N 3.08Å; A408-A411 PolarHBondContact O-N 2.83Å; A411-S414 WeakPolarHBondContact O-CB 3.36Å; A411-S414 PolarHBondContact O-N 2.96Å; A411-I415 PolarHBondContact O-N 3Å; A411-I415 VanDerWaalsContact O-N 3.1Å
412	L	98.8	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-51	178.6	-176.1	155.2	0	0	0	111.6	I178 F192 F196 M213 L308 F384 A408 L409 S414 I415 A416	I178-L412 HydrophobicContact CD1-CD1 3.85Å; F192-L412 HydrophobicContact CE1-CD1 4Å; F192-L412 HydrophobicContact CZ-CD1 3.73Å; F196-L412 HydrophobicContact CD2-CD1 4.34Å; F196-L412 HydrophobicContact CD2-CD2 4.36Å; F196-L412 HydrophobicContact CE2-CD1 4.32Å; F196-L412 HydrophobicContact CE2-CD2 3.7Å; F196-L412 HydrophobicContact CZ-CD2 4.39Å; M213-L412 HydrophobicContact CE-CD2 3.78Å; L308-L412 HydrophobicContact CD1-CD1 3.59Å; L308-L412 HydrophobicContact CD1-CD2 4.4Å; L308-L412 HydrophobicContact CD1-CG 3.62Å; F384-L412 HydrophobicContact CE1-CB 4.35Å; F384-L412 HydrophobicContact CZ-CB 4.37Å; A408-L412 WeakPolarHBondContact O-CB 3.39Å; A408-L412 PolarHBondContact O-N 3.5Å; L409-L412 PolarHBondContact O-N 2.67Å; L412-S414 VanDerWaalsContact C-N 3.26Å; L412-S414 PolarHBondContact O-N 3.47Å; L412-I415 PolarHBondContact O-N 2.94Å; L412-A416 HydrophobicContact CD2-CB 4.36Å; L412-A416 WeakPolarHBondContact O-CB 3.28Å; L412-A416 PolarHBondContact O-N 2.87Å
413	K	98.4	Very high	96.9	Very high	19 Å²	19	24.5 Å²	24.5	8%	0.083	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-39.7	178	-71.6	-169.9	-56.1	154.4	0	111.7	D209 I210 M213 L409 I415 A416 L417	D209-K413 HydrophobicContact CB-CD 3.88Å; D209-K413 IonicContact OD2-NZ 3.22Å; D209-K413 PolarHBondContact OD2-NZ 2.9Å; I210-K413 HydrophobicContact CD1-CD 3.89Å; I210-K413 HydrophobicContact CD1-CG 4.38Å; I210-K413 HydrophobicContact CG1-CD 4.4Å; M213-K413 HydrophobicContact SD-CB 4.39Å; M213-K413 HydrophobicContact SD-CG 3.93Å; L409-K413 HydrophobicContact CD1-CD 4.32Å; L409-K413 HydrophobicContact CD1-CG 4.16Å; L409-K413 HydrophobicContact CG-CD 4.31Å; L409-K413 HydrophobicContact CG-CG 4.42Å; L409-K413 WeakPolarHBondContact O-CB 3.25Å; L409-K413 VanDerWaalsContact O-CG 3.25Å; L409-K413 WeakPolarHBondContact O-CG 3.47Å; L409-K413 PolarHBondContact O-N 3.21Å; K413-I415 VanDerWaalsContact C-N 3.34Å; K413-I415 PolarHBondContact O-N 3.3Å; K413-A416 PolarHBondContact O-N 3.42Å; K413-L417 WeakPolarHBondContact O-CB 3.33Å; K413-L417 VanDerWaalsContact O-CG 3.25Å; K413-L417 WeakPolarHBondContact O-CG 3.47Å; K413-L417 PolarHBondContact O-N 3.49Å
414	S	98.3	Very high	96	Very high	7 Å²	7	25.1 Å²	25.1	5%	0.049	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-44.7	177.7	-168.1	0	0	0	0	111.9	K344 L410 A411 L412 R418	K344-S414 WeakPolarHBondContact CD-OG 3.49Å; K344-S414 PolarHBondContact NZ-OG 3.49Å; L410-S414 WeakPolarHBondContact O-CB 3.27Å; L410-S414 PolarHBondContact O-N 3.19Å; L410-S414 VanDerWaalsContact O-N 3.1Å; A411-S414 WeakPolarHBondContact O-CB 3.36Å; A411-S414 PolarHBondContact O-N 2.96Å; L412-S414 VanDerWaalsContact C-N 3.26Å; L412-S414 PolarHBondContact O-N 3.47Å; S414-R418 VanDerWaalsContact O-CG 3.23Å; S414-R418 WeakPolarHBondContact O-CG 3.4Å
415	I	98.6	Very high	94.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.3	-50.9	178.1	-70.3	165.4	0	0	0	110.3	L306 L337 V338 A341 F382 F384 A411 L412 K413 L417 R418 V419	L306-I415 HydrophobicContact CD1-CG2 4.2Å; L306-I415 HydrophobicContact CD2-CG2 4.45Å; L337-I415 HydrophobicContact CB-CG1 4.43Å; V338-I415 HydrophobicContact CG1-CD1 4.46Å; A341-I415 HydrophobicContact CB-CD1 4.08Å; A341-I415 HydrophobicContact CB-CG1 4.04Å; F382-I415 HydrophobicContact CD2-CG2 3.86Å; F382-I415 HydrophobicContact CE2-CG2 3.45Å; F382-I415 VanDerWaalsContact CE2-CG2 3.45Å; F382-I415 HydrophobicContact CZ-CG2 4Å; F384-I415 HydrophobicContact CE2-CD1 4.13Å; F384-I415 HydrophobicContact CZ-CD1 3.82Å; A411-I415 PolarHBondContact O-N 3Å; A411-I415 VanDerWaalsContact O-N 3.1Å; L412-I415 PolarHBondContact O-N 2.94Å; K413-I415 VanDerWaalsContact C-N 3.34Å; K413-I415 PolarHBondContact O-N 3.3Å; I415-L417 PolarHBondContact O-N 3.19Å; I415-R418 PolarHBondContact O-N 3.36Å; I415-R418 VanDerWaalsContact O-N 3.15Å; I415-V419 HydrophobicContact CG2-CG2 4.32Å; I415-V419 WeakPolarHBondContact O-CG2 3.47Å; I415-V419 PolarHBondContact O-N 3.03Å
416	A	98.3	Very high	91.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-44.8	-175.1	0	0	0	0	0	112.9	I176 M213 L306 L412 K413 R418 V419 I420	I176-A416 HydrophobicContact CD1-CB 4.02Å; M213-A416 HydrophobicContact CE-CB 3.76Å; M213-A416 HydrophobicContact CG-CB 4.46Å; M213-A416 HydrophobicContact SD-CB 4.1Å; L306-A416 HydrophobicContact CD2-CB 3.94Å; L412-A416 HydrophobicContact CD2-CB 4.36Å; L412-A416 WeakPolarHBondContact O-CB 3.28Å; L412-A416 PolarHBondContact O-N 2.87Å; K413-A416 PolarHBondContact O-N 3.42Å; A416-R418 VanDerWaalsContact C-N 3.33Å; A416-R418 PolarHBondContact O-N 3.33Å; A416-V419 PolarHBondContact O-N 2.81Å; A416-I420 VanDerWaalsContact O-CG1 3.3Å; A416-I420 WeakPolarHBondContact O-CG1 3.48Å; A416-I420 PolarHBondContact O-N 3.24Å
417	L	98.1	Very high	89.3	Confident	34 Å²	34	45.7 Å²	45.7	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-37	179.1	-70.6	171.7	0	0	0	112.7	D209 E212 M213 K413 I415 I420 Q421	D209-L417 HydrophobicContact CB-CD1 3.83Å; E212-L417 HydrophobicContact CB-CD2 4.2Å; E212-L417 HydrophobicContact CG-CD2 3.99Å; M213-L417 HydrophobicContact CG-CD2 3.97Å; M213-L417 HydrophobicContact CG-CG 4.46Å; K413-L417 WeakPolarHBondContact O-CB 3.33Å; K413-L417 VanDerWaalsContact O-CG 3.25Å; K413-L417 WeakPolarHBondContact O-CG 3.47Å; K413-L417 PolarHBondContact O-N 3.49Å; I415-L417 PolarHBondContact O-N 3.19Å; L417-I420 PolarHBondContact O-N 2.99Å; L417-Q421 WeakPolarHBondContact O-CG 3.36Å; L417-Q421 PolarHBondContact O-N 2.96Å; L417-Q421 VanDerWaalsContact O-N 3.08Å
418	R	97.4	Very high	88.9	Confident	71 Å²	71	48 Å²	48	27%	0.268	25%	0.254	S	S	.	.	H	α-helix	trans	-69.9	-38.7	176.8	-63.5	-70.1	-83.2	144.7	-3.3	111.1	E336 L337 E340 S414 I415 A416 Q421 K422	E336-R418 IonicContact OE1-NH2 3.98Å; L337-R418 HydrophobicContact CD2-CB 3.37Å; L337-R418 HydrophobicContact CD2-CG 3.9Å; E340-R418 IonicContact OE2-NE 2.87Å; E340-R418 PolarHBondContact OE2-NE 3.37Å; S414-R418 VanDerWaalsContact O-CG 3.23Å; S414-R418 WeakPolarHBondContact O-CG 3.4Å; I415-R418 PolarHBondContact O-N 3.36Å; I415-R418 VanDerWaalsContact O-N 3.15Å; A416-R418 VanDerWaalsContact C-N 3.33Å; A416-R418 PolarHBondContact O-N 3.33Å; R418-Q421 VanDerWaalsContact NH1-OE1 3.08Å; R418-Q421 PolarHBondContact O-N 2.99Å; R418-K422 WeakPolarHBondContact O-CD 3.43Å; R418-K422 WeakPolarHBondContact O-CG 3.32Å; R418-K422 PolarHBondContact O-N 3.04Å; R418-K422 VanDerWaalsContact O-N 3.13Å
419	V	96.7	Very high	88.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-42.3	173.9	175.1	0	0	0	0	111.2	L306 L337 Y380 I415 A416 Q421 K422 T423	L306-V419 HydrophobicContact CB-CG1 4.24Å; L306-V419 HydrophobicContact CD1-CG2 4.32Å; L306-V419 HydrophobicContact CD2-CB 4.48Å; L306-V419 HydrophobicContact CD2-CG2 4.45Å; L337-V419 HydrophobicContact CD1-CG2 4.38Å; Y380-V419 HydrophobicContact CD1-CG2 3.73Å; Y380-V419 HydrophobicContact CD2-CB 4.45Å; Y380-V419 HydrophobicContact CD2-CG1 3.58Å; Y380-V419 HydrophobicContact CD2-CG2 4.09Å; Y380-V419 HydrophobicContact CE1-CG2 4.23Å; Y380-V419 HydrophobicContact CE2-CG1 3.98Å; Y380-V419 HydrophobicContact CG-CB 4.48Å; Y380-V419 HydrophobicContact CG-CG1 3.98Å; Y380-V419 HydrophobicContact CG-CG2 3.66Å; I415-V419 HydrophobicContact CG2-CG2 4.32Å; I415-V419 WeakPolarHBondContact O-CG2 3.47Å; I415-V419 PolarHBondContact O-N 3.03Å; A416-V419 PolarHBondContact O-N 2.81Å; V419-Q421 VanDerWaalsContact C-N 3.35Å; V419-Q421 PolarHBondContact O-N 3.05Å; V419-K422 PolarHBondContact O-N 3.12Å; V419-K422 VanDerWaalsContact O-N 3.16Å; V419-T423 HydrophobicContact CG1-CG2 3.96Å; V419-T423 WeakPolarHBondContact O-CB 3.42Å; V419-T423 VanDerWaalsContact O-CG2 3.32Å; V419-T423 WeakPolarHBondContact O-CG2 3.49Å; V419-T423 PolarHBondContact O-N 3.07Å; V419-T423 PolarHBondContact O-OG1 2.94Å
420	I	95.3	Very high	87.8	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-49.3	174.4	-71.4	163	0	0	0	110.5	M213 M217 A416 L417 K422 T423 Q424	M213-I420 HydrophobicContact CB-CD1 4.25Å; M213-I420 HydrophobicContact CG-CD1 3.83Å; M217-I420 HydrophobicContact CE-CB 4.44Å; M217-I420 HydrophobicContact CE-CG1 3.78Å; M217-I420 HydrophobicContact CG-CG1 4.13Å; M217-I420 HydrophobicContact SD-CG1 3.78Å; A416-I420 VanDerWaalsContact O-CG1 3.3Å; A416-I420 WeakPolarHBondContact O-CG1 3.48Å; A416-I420 PolarHBondContact O-N 3.24Å; L417-I420 PolarHBondContact O-N 2.99Å; I420-K422 VanDerWaalsContact C-N 3.25Å; I420-K422 PolarHBondContact O-N 2.9Å; I420-T423 PolarHBondContact O-N 3.04Å; I420-T423 PolarHBondContact O-OG1 3.07Å; I420-Q424 HydrophobicContact CG2-CG 4.45Å; I420-Q424 WeakPolarHBondContact O-CG 3.28Å; I420-Q424 PolarHBondContact O-N 3.24Å; I420-Q424 VanDerWaalsContact O-N 3.08Å
421	Q	94.1	Very high	87.2	Confident	110 Å²	110	54.4 Å²	54.4	51%	0.514	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-37.3	178	-71.8	169.2	0.1	0	0	113	L417 R418 V419	L417-Q421 WeakPolarHBondContact O-CG 3.36Å; L417-Q421 PolarHBondContact O-N 2.96Å; L417-Q421 VanDerWaalsContact O-N 3.08Å; R418-Q421 VanDerWaalsContact NH1-OE1 3.08Å; R418-Q421 PolarHBondContact O-N 2.99Å; V419-Q421 VanDerWaalsContact C-N 3.35Å; V419-Q421 PolarHBondContact O-N 3.05Å
422	K	91.4	Very high	86.4	Confident	86 Å²	86	57.8 Å²	57.8	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-81.6	-23.3	-177.4	-75.5	164.6	161.5	-72.9	0	113.9	E333 R418 V419 I420	E333-K422 WeakPolarHBondContact OE1-CD 3.28Å; E333-K422 WeakPolarHBondContact OE1-CE 3.09Å; E333-K422 IonicContact OE1-NZ 2.68Å; E333-K422 PolarHBondContact OE1-NZ 2.98Å; R418-K422 WeakPolarHBondContact O-CD 3.43Å; R418-K422 WeakPolarHBondContact O-CG 3.32Å; R418-K422 PolarHBondContact O-N 3.04Å; R418-K422 VanDerWaalsContact O-N 3.13Å; V419-K422 PolarHBondContact O-N 3.12Å; V419-K422 VanDerWaalsContact O-N 3.16Å; I420-K422 VanDerWaalsContact C-N 3.25Å; I420-K422 PolarHBondContact O-N 2.9Å
423	T	86.8	Confident	85.6	Confident	35 Å²	35	61.6 Å²	61.6	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-104.6	-5	-175	56.2	0	0	0	0	113.8	M217 K305 Y380 V419 I420	M217-T423 WeakPolarHBondContact CE-OG1 3.36Å; K305-T423 HydrophobicContact CB-CG2 4.16Å; K305-T423 HydrophobicContact CG-CG2 4.4Å; Y380-T423 HydrophobicContact CD2-CG2 4.4Å; Y380-T423 HydrophobicContact CE2-CG2 3.84Å; V419-T423 HydrophobicContact CG1-CG2 3.96Å; V419-T423 WeakPolarHBondContact O-CB 3.42Å; V419-T423 VanDerWaalsContact O-CG2 3.32Å; V419-T423 WeakPolarHBondContact O-CG2 3.49Å; V419-T423 PolarHBondContact O-N 3.07Å; V419-T423 PolarHBondContact O-OG1 2.94Å; I420-T423 PolarHBondContact O-N 3.04Å; I420-T423 PolarHBondContact O-OG1 3.07Å
424	Q	77.1	Confident	84.7	Confident	88 Å²	88	64.6 Å²	64.6	41%	0.411	34%	0.343	S	S	.	.	S	Bend	trans	-64.3	142.7	168.5	-81.5	-175.6	6.5	0	0	110.7	I420 Q426	I420-Q424 HydrophobicContact CG2-CG 4.45Å; I420-Q424 WeakPolarHBondContact O-CG 3.28Å; I420-Q424 PolarHBondContact O-N 3.24Å; I420-Q424 VanDerWaalsContact O-N 3.08Å; Q424-Q426 PolarHBondContact O-N 3.38Å
425	P	62.6	Low	83.7	Confident	124 Å²	124	69.1 Å²	69.1	81%	0.805	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-55.3	124.7	171.9	-17.9	29	0	0	0	109
426	Q	47.6	Very low	82.4	Confident	157 Å²	157	74.8 Å²	74.8	73%	0.734	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-63.6	138.2	168.2	-66.2	-65.8	-40.8	0	0	108	Q424	Q424-Q426 PolarHBondContact O-N 3.38Å
427	P	43.7	Very low	81	Confident	190 Å²	190	81.6 Å²	81.6	100%	1.234	43%	0.432	S	S	*	.			trans	-61.3	0	-175	24.5	-33.7	0	0	0	114

Retrieved 427 of 427 residues in 178.3 ms (Link to these results)

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