A0A3Q0KSV5_SCHMA Loading...

RNA helicase

AlphaFold DB (A0A5K4EWM0), UniProt , Accession A0A3Q0KSV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 744 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	31.8	Very low	239 Å²	239	159.6 Å²	159.6	100%	1.177	85%	0.853	S	S	*	*				0	131	0	-97.9	-178.3	155.2	0	0	107.7
2	T	35.2	Very low	31.2	Very low	137 Å²	137	154.3 Å²	154.3	84%	0.84	84%	0.837	S	S	*	*			trans	64.6	93	175.8	56.5	0	0	0	0	117.7
3	E	30.9	Very low	30.9	Very low	193 Å²	193	150.8 Å²	150.8	90%	0.902	82%	0.824	S	S	*	*			trans	-48	130.9	146.7	-68	165.8	148.2	0	0	110.8
4	K	32.7	Very low	30.6	Very low	191 Å²	191	149.9 Å²	149.9	83%	0.83	82%	0.818	S	S	*	*			trans	-134	94.7	155	-82.4	-171.3	174.8	-175.4	0	106
5	S	34.6	Very low	30.4	Very low	106 Å²	106	150.3 Å²	150.3	74%	0.741	82%	0.818	S	S	*	*			trans	-86.3	106.6	168.2	48.9	0	0	0	0	107.9	D7	S5-D7 PolarHBondContact O-N 3.34Å
6	D	31.4	Very low	30.1	Very low	154 Å²	154	150.6 Å²	150.6	82%	0.824	82%	0.818	S	S	*	*			trans	-71.5	101.2	166.4	-73.2	-39.6	0	0	0	108.9
7	D	35.2	Very low	30.2	Very low	149 Å²	149	152.5 Å²	152.5	80%	0.797	82%	0.821	S	S	*	*			trans	-132.2	76.7	165.3	-84.7	-33.7	0	0	0	108.5	S5	S5-D7 PolarHBondContact O-N 3.34Å
8	N	32.2	Very low	30.2	Very low	158 Å²	158	152.6 Å²	152.6	85%	0.845	82%	0.821	S	S	*	*			trans	-133.2	59.3	166.7	-107.1	-14.5	0	0	0	108.5	Q10	N8-Q10 VanDerWaalsContact C-N 3.33Å; N8-Q10 PolarHBondContact O-N 3.47Å
9	A	31.9	Very low	29.9	Very low	93 Å²	93	153.6 Å²	153.6	77%	0.769	82%	0.82	S	S	*	*			trans	-80.9	85.3	166.1	0	0	0	0	0	108.5	L11	A9-L11 PolarHBondContact O-N 3.07Å; A9-L11 VanDerWaalsContact O-N 3.12Å
10	Q	27.2	Very low	29.9	Very low	177 Å²	177	152.4 Å²	152.4	83%	0.827	82%	0.818	S	S	*	*			trans	-65.3	104.6	163.4	-75.7	-178.4	-17.4	0	0	108.1	N8 S12	N8-Q10 VanDerWaalsContact C-N 3.33Å; N8-Q10 PolarHBondContact O-N 3.47Å; Q10-S12 VanDerWaalsContact C-N 3.32Å; Q10-S12 PolarHBondContact O-N 3.25Å
11	L	25.4	Very low	29.7	Very low	159 Å²	159	150.6 Å²	150.6	83%	0.832	81%	0.813	S	S	*	*			trans	-70	90	165.6	-94.3	131	0	0	0	108.5	A9 V13	A9-L11 PolarHBondContact O-N 3.07Å; A9-L11 VanDerWaalsContact O-N 3.12Å; L11-V13 PolarHBondContact O-N 3.12Å
12	S	25.2	Very low	29.4	Very low	95 Å²	95	143.2 Å²	143.2	66%	0.664	80%	0.797	S	S	*	*			trans	-74.6	104.1	161	51.7	0	0	0	0	108.2	Q10 D14	Q10-S12 VanDerWaalsContact C-N 3.32Å; Q10-S12 PolarHBondContact O-N 3.25Å; S12-D14 PolarHBondContact O-N 3.44Å
13	V	27.5	Very low	29.1	Very low	110 Å²	110	145.3 Å²	145.3	67%	0.667	80%	0.795	S	S	*	*			trans	-88.8	99.3	166.2	-179.3	0	0	0	0	106.2	L11 L15	L11-V13 PolarHBondContact O-N 3.12Å; V13-L15 PolarHBondContact O-N 3.19Å
14	D	26.2	Very low	29.1	Very low	138 Å²	138	144.2 Å²	144.2	74%	0.738	80%	0.795	S	S	*	*			trans	-66.1	116	169.8	-68	-40	0	0	0	108.2	S12 D16	S12-D14 PolarHBondContact O-N 3.44Å; D14-D16 PolarHBondContact O-N 3.06Å
15	L	27.5	Very low	29.3	Very low	156 Å²	156	137.1 Å²	137.1	82%	0.817	77%	0.768	S	S	*	*			trans	-82.4	101.7	172.6	-73	166.1	0	0	0	107.5	V13 E17	V13-L15 PolarHBondContact O-N 3.19Å; L15-E17 PolarHBondContact O-N 3.19Å
16	D	25.9	Very low	29.5	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	75%	0.752	S	S	*	*			trans	-61.2	115.5	171.6	-83	-36.8	0	0	0	110.2	D14 N18	D14-D16 PolarHBondContact O-N 3.06Å; D16-N18 PolarHBondContact O-N 3.17Å
17	E	31.9	Very low	30.1	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	74%	0.738	S	S	*	*	S	Bend	trans	-70	10.3	-173.9	-80	-173.6	156.7	0	0	115.6	L15	L15-E17 PolarHBondContact O-N 3.19Å
18	N	28.9	Very low	30.9	Very low	153 Å²	153	128.9 Å²	128.9	82%	0.818	71%	0.706	S	S	*	*	S	Bend	trans	-141.6	57	-173.1	-76.5	-56.2	0	0	0	114.4	D16	D16-N18 PolarHBondContact O-N 3.17Å
19	E	24.7	Very low	31.8	Very low	173 Å²	173	122.2 Å²	122.2	81%	0.808	67%	0.673	S	S	*	*			trans	-155.2	53.2	162.8	-127.2	177.4	-159.2	0	0	115.1
20	V	30.4	Very low	33.1	Very low	128 Å²	128	118.6 Å²	118.6	78%	0.776	64%	0.64	S	S	*	*			trans	-103.4	88.1	162.8	-174.2	0	0	0	0	109.4	G22	V20-G22 PolarHBondContact O-N 3.01Å
21	T	25.6	Very low	34.7	Very low	116 Å²	116	112 Å²	112	71%	0.712	61%	0.61	S	S	*	*			trans	-71.7	113.9	177.7	44.9	0	0	0	0	111.9	K23	T21-K23 VanDerWaalsContact C-N 3.34Å; T21-K23 PolarHBondContact O-N 3.12Å
22	G	27.5	Very low	36.4	Very low	83 Å²	83	105.8 Å²	105.8	86%	0.856	58%	0.578	S	S	*	*				59.8	9.9	125.9	0	0	0	0	0	121.7	V20	V20-G22 PolarHBondContact O-N 3.01Å
23	K	28.5	Very low	38	Very low	181 Å²	181	105.3 Å²	105.3	79%	0.787	57%	0.571	S	S	*	*			trans	-81.5	143.2	161.9	-75.2	178.9	179.5	171.9	0	108.1	T21 T25	T21-K23 VanDerWaalsContact C-N 3.34Å; T21-K23 PolarHBondContact O-N 3.12Å; K23-T25 PolarHBondContact O-N 2.91Å; K23-T25 PolarHBondContact O-OG1 3.36Å; K23-T25 VanDerWaalsContact O-OG1 3.13Å
24	N	31.4	Very low	39.7	Very low	171 Å²	171	105 Å²	105	91%	0.914	56%	0.562	S	S	*	*			trans	-60.7	69	170.9	-81	-20.2	0	0	0	110.2	I26	N24-I26 VanDerWaalsContact C-N 3.33Å; N24-I26 PolarHBondContact O-N 3.44Å
25	T	36.4	Very low	41.3	Very low	42 Å²	42	108.3 Å²	108.3	26%	0.258	57%	0.573	S	S	.	*			trans	-74.3	95.6	177.4	-49.1	0	0	0	0	104.8	K23 Y27	K23-T25 PolarHBondContact O-N 2.91Å; K23-T25 PolarHBondContact O-OG1 3.36Å; K23-T25 VanDerWaalsContact O-OG1 3.13Å; T25-Y27 PolarHBondContact O-N 3.14Å
26	I	38.3	Very low	43.4	Very low	79 Å²	79	105.9 Å²	105.9	41%	0.405	56%	0.558	S	S	.	*			trans	-61.7	96.1	162.9	-59.3	172.4	0	0	0	104.3	N24 L28	N24-I26 VanDerWaalsContact C-N 3.33Å; N24-I26 PolarHBondContact O-N 3.44Å; I26-L28 PolarHBondContact O-N 3.03Å
27	Y	44.8	Very low	45.7	Very low	133 Å²	133	104.6 Å²	104.6	52%	0.522	55%	0.545	S	S	.	.			trans	-55.9	130.3	165.3	-68.6	-79.8	0	0	0	106	T25 A29	T25-Y27 PolarHBondContact O-N 3.14Å; Y27-A29 PolarHBondContact O-N 3.44Å
28	L	52.2	Low	48.1	Very low	24 Å²	24	97.4 Å²	97.4	13%	0.126	51%	0.51	C	S	.	.			trans	-82.2	104.8	162.9	-78.8	141.5	0	0	0	104.2	I26 H30 F78 V145	I26-L28 PolarHBondContact O-N 3.03Å; L28-H30 VanDerWaalsContact C-CD2 3.49Å; L28-H30 VanDerWaalsContact O-CB 3.25Å; L28-H30 WeakPolarHBondContact O-CB 3.47Å; L28-H30 PolarHBondContact O-CD2 3.35Å; L28-H30 PolarHBondContact O-N 2.87Å; L28-F78 HydrophobicContact CB-CE2 4.2Å; L28-F78 HydrophobicContact CB-CZ 3.93Å; L28-F78 HydrophobicContact CD1-CE2 4.17Å; L28-F78 HydrophobicContact CD1-CZ 4.35Å; L28-V145 HydrophobicContact CD1-CG2 4.28Å; L28-V145 HydrophobicContact CD2-CG2 4.06Å
29	A	51.2	Low	50.4	Low	18 Å²	18	90.3 Å²	90.3	15%	0.149	47%	0.472	C	S	.	.	S	Bend	trans	13.6	18.8	162.5	0	0	0	0	0	123.6	Y27 E386 F413	Y27-A29 PolarHBondContact O-N 3.44Å; A29-E386 WeakPolarHBondContact CA-OE1 3.38Å; A29-E386 VanDerWaalsContact CB-CD 3.41Å; A29-E386 HydrophobicContact CB-CG 3.7Å; A29-E386 VanDerWaalsContact N-CD 3.27Å; A29-E386 PolarHBondContact N-OE1 3.22Å; A29-E386 PolarHBondContact N-OE2 3.06Å; A29-F413 HydrophobicContact CB-CB 4.43Å; A29-F413 WeakPolarHBondContact O-CB 3.17Å; A29-F413 WeakPolarHBondContact O-CD1 3.43Å; A29-F413 WeakPolarHBondContact O-CG 3.47Å
30	H	58.3	Low	52.8	Low	16 Å²	16	83.1 Å²	83.1	7%	0.074	44%	0.442	C	S	.	.			trans	-120.3	3.9	-157.7	-68.4	-68.6	0	0	0	114.7	L28 L32 F78 F413	L28-H30 VanDerWaalsContact C-CD2 3.49Å; L28-H30 VanDerWaalsContact O-CB 3.25Å; L28-H30 WeakPolarHBondContact O-CB 3.47Å; L28-H30 PolarHBondContact O-CD2 3.35Å; L28-H30 PolarHBondContact O-N 2.87Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 3.03Å; H30-F78 HydrophobicContact CB-CD1 3.55Å; H30-F78 HydrophobicContact CB-CE1 3.67Å; H30-F78 HydrophobicContact CB-CG 4.35Å; H30-F78 HydrophobicContact CB-CZ 4.48Å; H30-F78 AromaticContact CD2-CD1 3.73Å; H30-F78 AromaticContact CD2-CE1 2.85Å; H30-F78 WeakPolarHBondContact CD2-CE1 3.46Å; H30-F78 AromaticContact CD2-CZ 3.23Å; H30-F78 WeakPolarHBondContact CD2-CZ 3.46Å; H30-F78 AromaticContact CE1-CE1 3.93Å; H30-F78 AromaticContact CG-CD1 3.59Å; H30-F78 AromaticContact CG-CE1 3.17Å; H30-F78 AromaticContact CG-CZ 3.98Å; H30-F78 AromaticContact ND1-CE1 3.84Å; H30-F78 AromaticContact NE2-CE1 3.37Å; H30-F78 WeakPolarHBondContact NE2-CE1 3.4Å; H30-F78 AromaticContact NE2-CZ 3.78Å; H30-F413 HydrophobicContact CB-CE1 4.23Å; H30-F413 HydrophobicContact CB-CZ 4.32Å; H30-F413 AromaticContact CE1-CD2 3.33Å; H30-F413 WeakPolarHBondContact CE1-CD2 3.41Å; H30-F413 AromaticContact CE1-CE2 3.36Å; H30-F413 WeakPolarHBondContact CE1-CE2 3.49Å; H30-F413 AromaticContact ND1-CD1 3.82Å; H30-F413 AromaticContact ND1-CD2 3.18Å; H30-F413 WeakPolarHBondContact ND1-CD2 2.94Å; H30-F413 AromaticContact ND1-CE1 3.56Å; H30-F413 AromaticContact ND1-CE2 2.92Å; H30-F413 WeakPolarHBondContact ND1-CE2 3.32Å; H30-F413 AromaticContact ND1-CG 3.63Å; H30-F413 AromaticContact ND1-CZ 3.14Å; H30-F413 WeakPolarHBondContact ND1-CZ 3.49Å
31	D	61.4	Low	54.6	Low	38 Å²	38	78.6 Å²	78.6	20%	0.203	41%	0.413	C	S	.	.			trans	-72.6	89.8	175.1	-171.1	8.8	0	0	0	110.9	T33 Q34	D31-T33 VanDerWaalsContact CG-OG1 3.24Å; D31-T33 PolarHBondContact O-N 3.28Å; D31-T33 VanDerWaalsContact OD1-CB 3.22Å; D31-T33 WeakPolarHBondContact OD1-CB 3.48Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.33Å; D31-T33 PolarHBondContact OD1-N 3.25Å; D31-T33 PolarHBondContact OD1-OG1 2.93Å; D31-T33 PolarHBondContact OD2-OG1 3.45Å; D31-Q34 HydrophobicContact CB-CG 4.49Å; D31-Q34 WeakPolarHBondContact OD2-CG 3.4Å; D31-Q34 PolarHBondContact OD2-NE2 2.91Å
32	L	61.3	Low	56.8	Low	29 Å²	29	73.4 Å²	73.4	15%	0.152	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	0.1	172.2	-66.8	178.3	0	0	0	113.1	H30 V42 R80 F413	H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 3.03Å; L32-V42 HydrophobicContact CD2-CG1 3.95Å; L32-R80 HydrophobicContact CB-CB 4.44Å; L32-R80 HydrophobicContact CD1-CB 3.97Å; L32-F413 HydrophobicContact CD1-CE1 4.1Å; L32-F413 HydrophobicContact CD1-CZ 4.23Å; L32-F413 HydrophobicContact CD2-CD1 3.94Å; L32-F413 HydrophobicContact CD2-CE1 3.36Å; L32-F413 HydrophobicContact CD2-CZ 4.23Å; L32-F413 HydrophobicContact CG-CE1 3.59Å; L32-F413 HydrophobicContact CG-CZ 4.21Å
33	T	58.7	Low	58.9	Low	85 Å²	85	72.2 Å²	72.2	52%	0.521	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-18.6	178.6	73.7	0	0	0	0	112.7	D31 I79	D31-T33 VanDerWaalsContact CG-OG1 3.24Å; D31-T33 PolarHBondContact O-N 3.28Å; D31-T33 VanDerWaalsContact OD1-CB 3.22Å; D31-T33 WeakPolarHBondContact OD1-CB 3.48Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.33Å; D31-T33 PolarHBondContact OD1-N 3.25Å; D31-T33 PolarHBondContact OD1-OG1 2.93Å; D31-T33 PolarHBondContact OD2-OG1 3.45Å; T33-I79 HydrophobicContact CG2-CD1 3.88Å
34	Q	61.9	Low	60.3	Low	105 Å²	105	64.6 Å²	64.6	49%	0.491	33%	0.328	S	S	.	.	S	Bend	trans	-73.2	140.5	177.3	-60.1	-176.8	7.5	0	0	111.4	D31 E36	D31-Q34 HydrophobicContact CB-CG 4.49Å; D31-Q34 WeakPolarHBondContact OD2-CG 3.4Å; D31-Q34 PolarHBondContact OD2-NE2 2.91Å; Q34-E36 HydrophobicContact CB-CG 4.28Å; Q34-E36 PolarHBondContact O-N 3.18Å
35	E	60.7	Low	61.2	Low	207 Å²	207	61 Å²	61	97%	0.967	31%	0.305	S	S	*	.			trans	-70.2	24.2	178.2	-63.4	-170.2	159.2	0	0	114.2
36	E	70.4	Confident	61.5	Low	105 Å²	105	65.6 Å²	65.6	49%	0.491	33%	0.329	S	S	.	.			trans	-72.3	139.7	177.2	-66.1	-168.8	147.7	0	0	111.3	Q34 R38	Q34-E36 HydrophobicContact CB-CG 4.28Å; Q34-E36 PolarHBondContact O-N 3.18Å; E36-R38 PolarHBondContact O-N 2.87Å; E36-R38 VanDerWaalsContact O-N 3.17Å; E36-R38 IonicContact OE2-CZ 2.56Å; E36-R38 IonicContact OE2-NE 3.5Å; E36-R38 IonicContact OE2-NH2 3.59Å; E36-R38 PolarHBondContact OE2-NH2 3.36Å
37	K	75.7	Confident	61.6	Low	126 Å²	126	65.2 Å²	65.2	55%	0.548	33%	0.33	S	S	.	.			trans	-61.6	120.3	172.1	-72.7	-178.1	178.7	175.2	0	109.8	Y416 P458 N459	K37-Y416 HydrophobicContact CB-CD2 4.49Å; K37-Y416 HydrophobicContact CB-CE2 4Å; K37-Y416 WeakPolarHBondContact O-CE2 3.41Å; K37-P458 HydrophobicContact CB-CB 4.12Å; K37-P458 HydrophobicContact CD-CB 4.23Å; K37-N459 PolarHBondContact NZ-OD1 3.15Å
38	R	80.9	Confident	61.2	Low	34 Å²	34	64.7 Å²	64.7	13%	0.128	35%	0.346	C	S	.	.			trans	-116.1	162.1	173.8	-58.2	-59.9	179.1	129.3	-8.3	111.8	E36 L43 F413 G414 Y416	E36-R38 PolarHBondContact O-N 2.87Å; E36-R38 VanDerWaalsContact O-N 3.17Å; E36-R38 IonicContact OE2-CZ 2.56Å; E36-R38 IonicContact OE2-NE 3.5Å; E36-R38 IonicContact OE2-NH2 3.59Å; E36-R38 PolarHBondContact OE2-NH2 3.36Å; R38-L43 HydrophobicContact CB-CD1 4.09Å; R38-L43 HydrophobicContact CB-CD2 4.09Å; R38-L43 HydrophobicContact CB-CG 3.95Å; R38-F413 PolarHBondContact NH1-O 3.4Å; R38-G414 CarbonylContact C-O 3.6Å; R38-G414 WeakPolarHBondContact CA-O 3.29Å; R38-Y416 PolarHBondContact O-OH 2.95Å
39	T	78.4	Confident	60.5	Low	4 Å²	4	68.2 Å²	68.2	3%	0.025	37%	0.365	C	S	.	.			trans	-78.9	153.1	175.8	57.7	0	0	0	0	112	D41 V42 L43 I283 G414 Y416	T39-D41 VanDerWaalsContact C-N 3.25Å; T39-D41 WeakPolarHBondContact CB-OD1 3.31Å; T39-D41 PolarHBondContact O-N 3.37Å; T39-D41 PolarHBondContact OG1-OD1 3.23Å; T39-V42 PolarHBondContact O-N 3.4Å; T39-V42 VanDerWaalsContact O-N 3.16Å; T39-L43 PolarHBondContact O-N 3.31Å; T39-I283 HydrophobicContact CG2-CG2 3.99Å; T39-G414 WeakPolarHBondContact CG2-O 3.36Å; T39-G414 PolarHBondContact N-O 2.83Å; T39-G414 WeakPolarHBondContact OG1-CA 3.37Å; T39-Y416 HydrophobicContact CG2-CE1 4.08Å; T39-Y416 HydrophobicContact CG2-CE2 4.34Å
40	A	74.3	Confident	59.9	Low	21 Å²	21	76.1 Å²	76.1	17%	0.174	40%	0.398	C	S	.	.	H	α-helix	trans	-63.6	-23.6	-174.4	0	0	0	0	0	114.8	V42 G44 E45	A40-V42 VanDerWaalsContact C-N 3.3Å; A40-G44 WeakPolarHBondContact O-CA 3.34Å; A40-G44 PolarHBondContact O-N 3.49Å; A40-E45 HydrophobicContact CB-CB 4.12Å; A40-E45 HydrophobicContact CB-CG 4.36Å; A40-E45 PolarHBondContact O-N 2.83Å; A40-E45 VanDerWaalsContact O-N 3.16Å
41	D	68.9	Low	59	Low	34 Å²	34	80.6 Å²	80.6	18%	0.182	43%	0.427	C	S	.	.	H	α-helix	trans	-71.3	-24.3	177.6	61.9	-57.8	0	0	0	113.2	T39 P83 I283	T39-D41 VanDerWaalsContact C-N 3.25Å; T39-D41 WeakPolarHBondContact CB-OD1 3.31Å; T39-D41 PolarHBondContact O-N 3.37Å; T39-D41 PolarHBondContact OG1-OD1 3.23Å; D41-P83 WeakPolarHBondContact O-CG 3.39Å; D41-I283 HydrophobicContact CB-CD1 4.07Å; D41-I283 WeakPolarHBondContact OD1-CG2 3.11Å
42	V	71.8	Confident	58.1	Low	6 Å²	6	80.1 Å²	80.1	4%	0.036	43%	0.427	C	S	.	.	H	α-helix	trans	-91.3	-36.2	173.9	178	0	0	0	0	111.1	L32 T39 A40 P83 T106 F413	L32-V42 HydrophobicContact CD2-CG1 3.95Å; T39-V42 PolarHBondContact O-N 3.4Å; T39-V42 VanDerWaalsContact O-N 3.16Å; A40-V42 VanDerWaalsContact C-N 3.3Å; V42-P83 WeakPolarHBondContact O-CD 3.15Å; V42-T106 HydrophobicContact CG2-CG2 4.43Å; V42-F413 HydrophobicContact CG1-CD1 4.11Å; V42-F413 HydrophobicContact CG1-CD2 4.41Å; V42-F413 HydrophobicContact CG1-CE1 4.06Å; V42-F413 HydrophobicContact CG1-CE2 4.31Å; V42-F413 HydrophobicContact CG1-CG 4.31Å; V42-F413 HydrophobicContact CG1-CZ 4.14Å
43	L	70.7	Confident	57.1	Low	58 Å²	58	81.8 Å²	81.8	30%	0.304	44%	0.444	S	S	.	.	H	α-helix	trans	-78.6	-17.1	177.6	-63.4	179.3	0	0	0	113.9	R38 T39 E45	R38-L43 HydrophobicContact CB-CD1 4.09Å; R38-L43 HydrophobicContact CB-CD2 4.09Å; R38-L43 HydrophobicContact CB-CG 3.95Å; T39-L43 PolarHBondContact O-N 3.31Å; L43-E45 HydrophobicContact CB-CG 3.69Å
44	G	58.6	Low	56.5	Low	21 Å²	21	83.5 Å²	83.5	22%	0.216	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	25.6	-179.8	0	0	0	0	0	115.1	A40	A40-G44 WeakPolarHBondContact O-CA 3.34Å; A40-G44 PolarHBondContact O-N 3.49Å
45	E	50.9	Low	55.9	Low	95 Å²	95	80.7 Å²	80.7	44%	0.444	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.6	-170.5	-44.1	-160.5	118.2	0	0	114.8	A40 L43 V47 R56	A40-E45 HydrophobicContact CB-CB 4.12Å; A40-E45 HydrophobicContact CB-CG 4.36Å; A40-E45 PolarHBondContact O-N 2.83Å; A40-E45 VanDerWaalsContact O-N 3.16Å; L43-E45 HydrophobicContact CB-CG 3.69Å; E45-V47 PolarHBondContact O-N 3.34Å; E45-R56 VanDerWaalsContact CD-NH2 3.32Å; E45-R56 IonicContact OE1-CZ 3.4Å; E45-R56 IonicContact OE1-NH1 3.75Å; E45-R56 IonicContact OE1-NH2 2.71Å; E45-R56 PolarHBondContact OE1-NH2 3Å
46	N	42.2	Very low	55.6	Low	140 Å²	140	76 Å²	76	75%	0.749	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	15.9	-167.4	-79.6	-14	0	0	0	116
47	V	40	Very low	55.5	Low	70 Å²	70	76.8 Å²	76.8	42%	0.424	42%	0.423	S	S	.	.			trans	-100	104.8	166.8	-169.7	0	0	0	0	106.6	E45 N49 C52	E45-V47 PolarHBondContact O-N 3.34Å; V47-N49 HydrophobicContact CG1-CB 3.98Å; V47-N49 PolarHBondContact O-N 3.32Å; V47-C52 HydrophobicContact CB-CB 4.28Å
48	S	37.5	Very low	55.8	Low	123 Å²	123	72.8 Å²	72.8	86%	0.86	41%	0.407	S	S	*	.			trans	-63.4	23.9	175.6	54.3	0	0	0	0	114.4
49	N	37.5	Very low	56.1	Low	97 Å²	97	73.7 Å²	73.7	52%	0.519	41%	0.413	S	S	.	.	S	Bend	trans	-104.3	121.3	170.8	-66	-8.1	0	0	0	107.6	V47 T51 C52	V47-N49 HydrophobicContact CG1-CB 3.98Å; V47-N49 PolarHBondContact O-N 3.32Å; N49-T51 PolarHBondContact O-N 3.32Å; N49-C52 PolarHBondContact O-N 3.45Å
50	E	38.4	Very low	56.6	Low	184 Å²	184	73.5 Å²	73.5	86%	0.86	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-20.2	174.6	-65.1	175.4	156.3	0	0	113.5	C52	E50-C52 VanDerWaalsContact C-N 3.32Å; E50-C52 PolarHBondContact O-N 2.9Å
51	T	39.4	Very low	57.3	Low	110 Å²	110	78.2 Å²	78.2	68%	0.675	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.1	175.6	-18.3	0	0	0	0	114.4	N49	N49-T51 PolarHBondContact O-N 3.32Å
52	C	41.4	Very low	58.3	Low	29 Å²	29	80.6 Å²	80.6	20%	0.196	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-19.6	-178.5	-85.5	0	0	0	0	114.6	V47 N49 E50 N54 S55	V47-C52 HydrophobicContact CB-CB 4.28Å; N49-C52 PolarHBondContact O-N 3.45Å; E50-C52 VanDerWaalsContact C-N 3.32Å; E50-C52 PolarHBondContact O-N 2.9Å; C52-N54 PolarHBondContact O-N 2.81Å; C52-S55 WeakPolarHBondContact O-CA 3.4Å; C52-S55 VanDerWaalsContact O-CB 3.3Å; C52-S55 WeakPolarHBondContact O-CB 3.45Å; C52-S55 PolarHBondContact O-N 2.86Å
53	A	41.8	Very low	59.1	Low	63 Å²	63	81.2 Å²	81.2	52%	0.521	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-58.7	-32.7	172.5	0	0	0	0	0	111.1	S55 R56	A53-S55 VanDerWaalsContact C-N 3.35Å; A53-R56 WeakPolarHBondContact O-CB 3.37Å; A53-R56 PolarHBondContact O-N 3.45Å
54	N	45.2	Very low	60	Low	122 Å²	122	86 Å²	86	65%	0.652	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-69.4	-26.4	172.3	-73.3	-13.6	0	0	0	113.6	C52 R56 N57	C52-N54 PolarHBondContact O-N 2.81Å; N54-R56 PolarHBondContact O-N 3.29Å; N54-N57 PolarHBondContact O-N 2.75Å; N54-N57 VanDerWaalsContact O-N 3.14Å
55	S	49.4	Very low	61.8	Low	46 Å²	46	85.8 Å²	85.8	32%	0.322	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-65.7	-22.2	176	-61.3	0	0	0	0	112.7	C52 A53 N57 I58	C52-S55 WeakPolarHBondContact O-CA 3.4Å; C52-S55 VanDerWaalsContact O-CB 3.3Å; C52-S55 WeakPolarHBondContact O-CB 3.45Å; C52-S55 PolarHBondContact O-N 2.86Å; A53-S55 VanDerWaalsContact C-N 3.35Å; S55-N57 PolarHBondContact O-N 3.48Å; S55-N57 VanDerWaalsContact O-N 3.08Å; S55-I58 PolarHBondContact O-N 2.77Å
56	R	53.3	Low	63.9	Low	109 Å²	109	83.4 Å²	83.4	41%	0.411	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-65.8	-3.1	172.7	-67.9	-169.4	-168.7	179.1	2.1	113.8	E45 A53 N54 R80	E45-R56 VanDerWaalsContact CD-NH2 3.32Å; E45-R56 IonicContact OE1-CZ 3.4Å; E45-R56 IonicContact OE1-NH1 3.75Å; E45-R56 IonicContact OE1-NH2 2.71Å; E45-R56 PolarHBondContact OE1-NH2 3Å; A53-R56 WeakPolarHBondContact O-CB 3.37Å; A53-R56 PolarHBondContact O-N 3.45Å; N54-R56 PolarHBondContact O-N 3.29Å; R56-R80 PolarHBondContact O-NH1 3.16Å; R56-R80 PolarHBondContact O-NH2 3.4Å
57	N	69.2	Low	66.6	Low	121 Å²	121	80.9 Å²	80.9	65%	0.647	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-120.7	9.8	176.8	-70.7	-23.7	0	0	0	113.1	N54 S55 H59	N54-N57 PolarHBondContact O-N 2.75Å; N54-N57 VanDerWaalsContact O-N 3.14Å; S55-N57 PolarHBondContact O-N 3.48Å; S55-N57 VanDerWaalsContact O-N 3.08Å; N57-H59 PolarHBondContact O-CD2 2.97Å
58	I	82.4	Confident	69.3	Low	41 Å²	41	79.9 Å²	79.9	21%	0.21	44%	0.437	C	S	.	.			trans	-79.7	126.6	177.5	-59.7	174	0	0	0	108.8	S55 D62 L63 P81 V86	S55-I58 PolarHBondContact O-N 2.77Å; I58-D62 HydrophobicContact CG2-CB 4.2Å; I58-L63 HydrophobicContact CG2-CD2 4.33Å; I58-P81 HydrophobicContact CG2-CG 4.09Å; I58-P81 WeakPolarHBondContact O-CD 3.48Å; I58-V86 HydrophobicContact CD1-CG1 3.87Å; I58-V86 HydrophobicContact CG2-CG2 4.32Å
59	H	86.8	Confident	72.2	Confident	54 Å²	54	74 Å²	74	25%	0.25	40%	0.396	C	S	.	.			trans	-104.2	163.4	170.7	-76.8	-116.2	0	0	0	110.5	N57 K61 D62 I79	N57-H59 PolarHBondContact O-CD2 2.97Å; H59-K61 HydrophobicContact CB-CD 4.37Å; H59-K61 HydrophobicContact CB-CG 3.79Å; H59-K61 PolarHBondContact O-N 2.76Å; H59-D62 PolarHBondContact N-OD2 3.37Å; H59-D62 WeakPolarHBondContact O-CB 3.49Å; H59-D62 PolarHBondContact O-N 3.17Å; H59-I79 WeakPolarHBondContact ND1-CG2 3.3Å
60	F	89	Confident	75	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-60.3	-30.5	175.5	-84.9	-78.4	0	0	0	113.1	D62 L63 L65 L70 L73 F78 I79 R80 P81 I89 V110	F60-D62 PolarHBondContact O-N 3.29Å; F60-L63 HydrophobicContact CD1-CD1 3.93Å; F60-L63 HydrophobicContact CE1-CD1 4.33Å; F60-L63 WeakPolarHBondContact O-CB 3.39Å; F60-L63 PolarHBondContact O-N 2.89Å; F60-L63 VanDerWaalsContact O-N 3.1Å; F60-L65 HydrophobicContact CD1-CD1 4.01Å; F60-L70 HydrophobicContact CB-CD1 3.83Å; F60-L73 HydrophobicContact CB-CD1 4.19Å; F60-L73 HydrophobicContact CD1-CD1 3.61Å; F60-L73 HydrophobicContact CD1-CD2 4.27Å; F60-L73 HydrophobicContact CE1-CD1 4.09Å; F60-L73 HydrophobicContact CE1-CD2 3.99Å; F60-L73 HydrophobicContact CE2-CD2 4.4Å; F60-L73 HydrophobicContact CG-CD1 3.94Å; F60-L73 HydrophobicContact CZ-CD2 4.06Å; F60-F78 HydrophobicContact CD2-CB 4.07Å; F60-F78 VanDerWaalsContact CD2-O 3.3Å; F60-F78 WeakPolarHBondContact CD2-O 3.45Å; F60-F78 HydrophobicContact CE2-CB 3.67Å; F60-F78 HydrophobicContact CE2-CD1 4.33Å; F60-F78 HydrophobicContact CE2-CG 4.46Å; F60-F78 HydrophobicContact CZ-CB 4.33Å; F60-F78 HydrophobicContact CZ-CD1 4.48Å; F60-I79 PolarHBondContact N-O 2.81Å; F60-R80 VanDerWaalsContact CE2-C 3.43Å; F60-P81 HydrophobicContact CD1-CB 4.26Å; F60-P81 HydrophobicContact CD2-CB 4.34Å; F60-P81 HydrophobicContact CE1-CB 3.86Å; F60-P81 VanDerWaalsContact CE2-CA 3.49Å; F60-P81 HydrophobicContact CE2-CB 3.92Å; F60-P81 VanDerWaalsContact CE2-N 3.34Å; F60-P81 HydrophobicContact CZ-CB 3.68Å; F60-I89 HydrophobicContact CE1-CD1 3.96Å; F60-V110 HydrophobicContact CE1-CG1 4.35Å; F60-V110 HydrophobicContact CZ-CG1 4.21Å
61	K	88.9	Confident	77.7	Confident	120 Å²	120	65.8 Å²	65.8	52%	0.522	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-59	-29.4	173.3	66	-176.8	-176.1	179.7	0	113.1	H59 L63 Q64 L70 Y74	H59-K61 HydrophobicContact CB-CD 4.37Å; H59-K61 HydrophobicContact CB-CG 3.79Å; H59-K61 PolarHBondContact O-N 2.76Å; K61-L63 PolarHBondContact O-N 3.28Å; K61-Q64 PolarHBondContact O-N 2.75Å; K61-L70 HydrophobicContact CB-CD1 4.34Å; K61-L70 HydrophobicContact CB-CD2 4.06Å; K61-Y74 WeakPolarHBondContact CB-OH 3.27Å
62	D	89.5	Confident	80.5	Confident	83 Å²	83	60.6 Å²	60.6	44%	0.444	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-77.6	-13.9	-178.1	-52.5	-39.3	0	0	0	111.7	I58 H59 F60 Q64	I58-D62 HydrophobicContact CG2-CB 4.2Å; H59-D62 PolarHBondContact N-OD2 3.37Å; H59-D62 WeakPolarHBondContact O-CB 3.49Å; H59-D62 PolarHBondContact O-N 3.17Å; F60-D62 PolarHBondContact O-N 3.29Å; D62-Q64 PolarHBondContact O-N 3.35Å
63	L	89.8	Confident	83	Confident	20 Å²	20	59.2 Å²	59.2	11%	0.105	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-81.3	3.3	174.2	-56.6	-176.6	0	0	0	113	I58 F60 K61 L65 P81 I89 P90 R93	I58-L63 HydrophobicContact CG2-CD2 4.33Å; F60-L63 HydrophobicContact CD1-CD1 3.93Å; F60-L63 HydrophobicContact CE1-CD1 4.33Å; F60-L63 WeakPolarHBondContact O-CB 3.39Å; F60-L63 PolarHBondContact O-N 2.89Å; F60-L63 VanDerWaalsContact O-N 3.1Å; K61-L63 PolarHBondContact O-N 3.28Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 HydrophobicContact CB-CD2 4.19Å; L63-L65 HydrophobicContact CB-CG 4.04Å; L63-L65 PolarHBondContact O-N 3.26Å; L63-P81 HydrophobicContact CD1-CB 4.33Å; L63-P81 HydrophobicContact CD1-CG 4.28Å; L63-I89 HydrophobicContact CD1-CB 4.38Å; L63-I89 HydrophobicContact CD1-CD1 4.16Å; L63-I89 HydrophobicContact CD1-CG2 4.27Å; L63-P90 HydrophobicContact CD2-CG 4.26Å; L63-R93 PolarHBondContact O-NH1 3.07Å
64	Q	89.7	Confident	85.4	Confident	158 Å²	158	60.1 Å²	60.1	74%	0.738	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	41.5	178.5	-59.1	-177.3	-8.4	0	0	113.7	K61 D62 R93	K61-Q64 PolarHBondContact O-N 2.75Å; D62-Q64 PolarHBondContact O-N 3.35Å; Q64-R93 VanDerWaalsContact O-CZ 3.23Å; Q64-R93 PolarHBondContact O-NH1 3.44Å; Q64-R93 PolarHBondContact O-NH2 2.94Å
65	L	94.6	Very high	87.6	Confident	17 Å²	17	58.1 Å²	58.1	9%	0.089	29%	0.294	C	S	.	.			trans	-73.6	157.5	176.8	-54.7	-179.9	0	0	0	110.9	F60 L63 V69 L73 I89 V114 E118	F60-L65 HydrophobicContact CD1-CD1 4.01Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 HydrophobicContact CB-CD2 4.19Å; L63-L65 HydrophobicContact CB-CG 4.04Å; L63-L65 PolarHBondContact O-N 3.26Å; L65-V69 HydrophobicContact CD1-CG1 4.26Å; L65-L73 HydrophobicContact CD1-CD1 3.47Å; L65-L73 VanDerWaalsContact CD1-CD1 3.47Å; L65-I89 HydrophobicContact CD2-CG2 4.09Å; L65-V114 HydrophobicContact CD1-CG1 3.91Å; L65-V114 HydrophobicContact CD2-CG1 3.7Å; L65-V114 HydrophobicContact CG-CG1 4.45Å; L65-E118 HydrophobicContact CD2-CG 4.25Å
66	S	96.6	Very high	89.5	Confident	44 Å²	44	56.1 Å²	56.1	31%	0.308	28%	0.28	S	S	.	.			trans	-59.5	145.2	172.3	68.4	0	0	0	0	111.1	P68 V69 L70 E118	S66-P68 VanDerWaalsContact C-CD 3.48Å; S66-P68 VanDerWaalsContact C-N 3.34Å; S66-V69 PolarHBondContact O-N 3.1Å; S66-V69 VanDerWaalsContact O-N 3.12Å; S66-V69 VanDerWaalsContact OG-CG2 3.28Å; S66-V69 WeakPolarHBondContact OG-CG2 3.39Å; S66-L70 PolarHBondContact O-N 3.14Å; S66-E118 WeakPolarHBondContact CB-OE1 3.42Å; S66-E118 PolarHBondContact N-OE1 3.08Å; S66-E118 PolarHBondContact N-OE2 3.49Å; S66-E118 PolarHBondContact OG-OE1 3.34Å
67	T	97.5	Very high	91.1	Very high	88 Å²	88	51.4 Å²	51.4	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-53.3	-43.5	-178.9	-51.5	0	0	0	0	113.2	V69 L70 H71	T67-V69 PolarHBondContact O-N 3.25Å; T67-L70 PolarHBondContact O-N 3.24Å; T67-H71 PolarHBondContact O-N 2.73Å
68	P	97.8	Very high	92	Very high	48 Å²	48	45.7 Å²	45.7	31%	0.312	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-44.4	176.2	-27.1	38.3	0	0	0	113.8	S66 H71 G72 H152 I153	S66-P68 VanDerWaalsContact C-CD 3.48Å; S66-P68 VanDerWaalsContact C-N 3.34Å; P68-H71 PolarHBondContact O-N 2.76Å; P68-G72 PolarHBondContact O-N 3.39Å; P68-H152 HydrophobicContact CB-CB 4.08Å; P68-I153 HydrophobicContact CB-CG1 3.64Å
69	V	97.6	Very high	92	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-41.3	178.5	174.3	0	0	0	0	110.6	L65 S66 T67 G72 L73 V114 L117 E118 I153	L65-V69 HydrophobicContact CD1-CG1 4.26Å; S66-V69 PolarHBondContact O-N 3.1Å; S66-V69 VanDerWaalsContact O-N 3.12Å; S66-V69 VanDerWaalsContact OG-CG2 3.28Å; S66-V69 WeakPolarHBondContact OG-CG2 3.39Å; T67-V69 PolarHBondContact O-N 3.25Å; V69-G72 PolarHBondContact O-N 2.99Å; V69-L73 HydrophobicContact CG1-CD1 4.03Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.33Å; V69-V114 HydrophobicContact CG1-CG1 4.27Å; V69-V114 HydrophobicContact CG1-CG2 4.24Å; V69-L117 HydrophobicContact CG2-CB 3.73Å; V69-E118 WeakPolarHBondContact CG2-OE1 3.13Å; V69-I153 HydrophobicContact CG2-CD1 3.87Å
70	L	96.3	Very high	91.9	Very high	27 Å²	27	46.4 Å²	46.4	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-42.4	177.6	-173.1	64.1	0	0	0	112.2	F60 K61 S66 T67 L73 Y74	F60-L70 HydrophobicContact CB-CD1 3.83Å; K61-L70 HydrophobicContact CB-CD1 4.34Å; K61-L70 HydrophobicContact CB-CD2 4.06Å; S66-L70 PolarHBondContact O-N 3.14Å; T67-L70 PolarHBondContact O-N 3.24Å; L70-L73 WeakPolarHBondContact O-CB 3.21Å; L70-L73 PolarHBondContact O-N 2.82Å; L70-Y74 HydrophobicContact CD1-CE1 4.07Å; L70-Y74 HydrophobicContact CD1-CE2 3.92Å; L70-Y74 HydrophobicContact CD2-CE2 4.03Å; L70-Y74 HydrophobicContact CG-CD2 4.2Å; L70-Y74 HydrophobicContact CG-CE2 3.63Å; L70-Y74 WeakPolarHBondContact O-CD2 3.5Å; L70-Y74 PolarHBondContact O-N 2.61Å
71	H	96.7	Very high	91.9	Very high	82 Å²	82	46.9 Å²	46.9	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-42.2	174.8	-69.5	-177.8	0	0	0	111.9	T67 P68 L73 Y74 D75 H152	T67-H71 PolarHBondContact O-N 2.73Å; P68-H71 PolarHBondContact O-N 2.76Å; H71-L73 VanDerWaalsContact C-N 3.3Å; H71-L73 PolarHBondContact O-N 3.37Å; H71-Y74 PolarHBondContact O-N 3.33Å; H71-D75 PolarHBondContact O-N 3.02Å; H71-H152 HydrophobicContact CB-CB 4.28Å; H71-H152 VanDerWaalsContact CB-CD2 3.45Å; H71-H152 WeakPolarHBondContact CB-CD2 3.5Å
72	G	96.4	Very high	91.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-37.5	175.8	0	0	0	0	0	113	P68 V69 A76 H152	P68-G72 PolarHBondContact O-N 3.39Å; V69-G72 PolarHBondContact O-N 2.99Å; G72-A76 WeakPolarHBondContact O-CB 3.38Å; G72-A76 PolarHBondContact O-N 3.21Å; G72-H152 PolarHBondContact N-CD2 3.48Å
73	L	94.3	Very high	91.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-50.5	171.2	-76.9	161.8	0	0	0	111.3	F60 L65 V69 L70 H71 A76 G77 F78 V110 V114 L149	F60-L73 HydrophobicContact CB-CD1 4.19Å; F60-L73 HydrophobicContact CD1-CD1 3.61Å; F60-L73 HydrophobicContact CD1-CD2 4.27Å; F60-L73 HydrophobicContact CE1-CD1 4.09Å; F60-L73 HydrophobicContact CE1-CD2 3.99Å; F60-L73 HydrophobicContact CE2-CD2 4.4Å; F60-L73 HydrophobicContact CG-CD1 3.94Å; F60-L73 HydrophobicContact CZ-CD2 4.06Å; L65-L73 HydrophobicContact CD1-CD1 3.47Å; L65-L73 VanDerWaalsContact CD1-CD1 3.47Å; V69-L73 HydrophobicContact CG1-CD1 4.03Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.33Å; L70-L73 WeakPolarHBondContact O-CB 3.21Å; L70-L73 PolarHBondContact O-N 2.82Å; H71-L73 VanDerWaalsContact C-N 3.3Å; H71-L73 PolarHBondContact O-N 3.37Å; L73-A76 CarbonylContact O-C 3.55Å; L73-A76 PolarHBondContact O-N 2.84Å; L73-A76 VanDerWaalsContact O-N 3.14Å; L73-G77 PolarHBondContact O-N 3.13Å; L73-F78 HydrophobicContact CB-CB 3.95Å; L73-F78 HydrophobicContact CD2-CB 3.65Å; L73-F78 HydrophobicContact CD2-CD2 4.06Å; L73-F78 HydrophobicContact CD2-CG 3.88Å; L73-F78 HydrophobicContact CG-CB 4.44Å; L73-F78 WeakPolarHBondContact O-CB 3.49Å; L73-F78 PolarHBondContact O-N 3.28Å; L73-V110 HydrophobicContact CD2-CG1 3.94Å; L73-V114 HydrophobicContact CD1-CG2 4.23Å; L73-V114 HydrophobicContact CD2-CG2 4.25Å; L73-L149 HydrophobicContact CB-CD2 4.45Å; L73-L149 HydrophobicContact CD2-CD1 4.11Å; L73-L149 HydrophobicContact CD2-CD2 3.6Å; L73-L149 HydrophobicContact CD2-CG 4.48Å; L73-L149 HydrophobicContact CG-CD2 3.95Å
74	Y	92.5	Very high	91.2	Very high	82 Å²	82	37.8 Å²	37.8	32%	0.322	20%	0.198	S	C	.	.	H	α-helix	trans	-63.7	-43.3	-180	-66.4	-28	0	0	0	113.5	K61 L70 H71 A76 G77 F78	K61-Y74 WeakPolarHBondContact CB-OH 3.27Å; L70-Y74 HydrophobicContact CD1-CE1 4.07Å; L70-Y74 HydrophobicContact CD1-CE2 3.92Å; L70-Y74 HydrophobicContact CD2-CE2 4.03Å; L70-Y74 HydrophobicContact CG-CD2 4.2Å; L70-Y74 HydrophobicContact CG-CE2 3.63Å; L70-Y74 WeakPolarHBondContact O-CD2 3.5Å; L70-Y74 PolarHBondContact O-N 2.61Å; H71-Y74 PolarHBondContact O-N 3.33Å; Y74-A76 PolarHBondContact O-N 3.39Å; Y74-A76 VanDerWaalsContact O-N 3.14Å; Y74-G77 PolarHBondContact O-N 2.87Å; Y74-F78 WeakPolarHBondContact CD1-O 3.45Å
75	D	91.6	Very high	91.2	Very high	81 Å²	81	30.3 Å²	30.3	43%	0.433	16%	0.163	S	C	.	.	H	α-helix	trans	-61	-23.5	175.1	-79.9	3.8	0	0	0	113.1	H71 R148 H152	H71-D75 PolarHBondContact O-N 3.02Å; D75-R148 PolarHBondContact O-NH2 3.21Å; D75-H152 IonicContact OD1-NE2 3.61Å; D75-H152 IonicContact OD2-CD2 3.64Å; D75-H152 IonicContact OD2-CE1 2.72Å; D75-H152 IonicContact OD2-NE2 3.99Å; D75-H152 PolarHBondContact OD2-NE2 2.85Å
76	A	89.8	Confident	91	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.025	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.9	176.4	0	0	0	0	0	113.5	G72 L73 Y74 F78 R148 L149	G72-A76 WeakPolarHBondContact O-CB 3.38Å; G72-A76 PolarHBondContact O-N 3.21Å; L73-A76 CarbonylContact O-C 3.55Å; L73-A76 PolarHBondContact O-N 2.84Å; L73-A76 VanDerWaalsContact O-N 3.14Å; Y74-A76 PolarHBondContact O-N 3.39Å; Y74-A76 VanDerWaalsContact O-N 3.14Å; A76-F78 HydrophobicContact CB-CD2 3.56Å; A76-F78 HydrophobicContact CB-CE2 3.67Å; A76-R148 HydrophobicContact CB-CG 3.69Å; A76-L149 HydrophobicContact CB-CD2 4.21Å
77	G	86.4	Confident	90.6	Very high	11 Å²	11	33.4 Å²	33.4	11%	0.113	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	9.2	178.8	0	0	0	0	0	114.6	L73 Y74 I79	L73-G77 PolarHBondContact O-N 3.13Å; Y74-G77 PolarHBondContact O-N 2.87Å; G77-I79 PolarHBondContact O-N 2.87Å; G77-I79 VanDerWaalsContact O-N 3.13Å
78	F	87.5	Confident	90.4	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.147	C	C	.	.			trans	-84.3	84.5	178.2	-65	-85.1	0	0	0	111.2	L28 H30 F60 L73 Y74 A76 V110 L149	L28-F78 HydrophobicContact CB-CE2 4.2Å; L28-F78 HydrophobicContact CB-CZ 3.93Å; L28-F78 HydrophobicContact CD1-CE2 4.17Å; L28-F78 HydrophobicContact CD1-CZ 4.35Å; H30-F78 HydrophobicContact CB-CD1 3.55Å; H30-F78 HydrophobicContact CB-CE1 3.67Å; H30-F78 HydrophobicContact CB-CG 4.35Å; H30-F78 HydrophobicContact CB-CZ 4.48Å; H30-F78 AromaticContact CD2-CD1 3.73Å; H30-F78 AromaticContact CD2-CE1 2.85Å; H30-F78 WeakPolarHBondContact CD2-CE1 3.46Å; H30-F78 AromaticContact CD2-CZ 3.23Å; H30-F78 WeakPolarHBondContact CD2-CZ 3.46Å; H30-F78 AromaticContact CE1-CE1 3.93Å; H30-F78 AromaticContact CG-CD1 3.59Å; H30-F78 AromaticContact CG-CE1 3.17Å; H30-F78 AromaticContact CG-CZ 3.98Å; H30-F78 AromaticContact ND1-CE1 3.84Å; H30-F78 AromaticContact NE2-CE1 3.37Å; H30-F78 WeakPolarHBondContact NE2-CE1 3.4Å; H30-F78 AromaticContact NE2-CZ 3.78Å; F60-F78 HydrophobicContact CD2-CB 4.07Å; F60-F78 VanDerWaalsContact CD2-O 3.3Å; F60-F78 WeakPolarHBondContact CD2-O 3.45Å; F60-F78 HydrophobicContact CE2-CB 3.67Å; F60-F78 HydrophobicContact CE2-CD1 4.33Å; F60-F78 HydrophobicContact CE2-CG 4.46Å; F60-F78 HydrophobicContact CZ-CB 4.33Å; F60-F78 HydrophobicContact CZ-CD1 4.48Å; L73-F78 HydrophobicContact CB-CB 3.95Å; L73-F78 HydrophobicContact CD2-CB 3.65Å; L73-F78 HydrophobicContact CD2-CD2 4.06Å; L73-F78 HydrophobicContact CD2-CG 3.88Å; L73-F78 HydrophobicContact CG-CB 4.44Å; L73-F78 WeakPolarHBondContact O-CB 3.49Å; L73-F78 PolarHBondContact O-N 3.28Å; Y74-F78 WeakPolarHBondContact CD1-O 3.45Å; A76-F78 HydrophobicContact CB-CD2 3.56Å; A76-F78 HydrophobicContact CB-CE2 3.67Å; F78-V110 HydrophobicContact CD1-CG2 4.22Å; F78-V110 HydrophobicContact CE1-CG2 3.37Å; F78-V110 HydrophobicContact CE2-CG2 4.41Å; F78-V110 HydrophobicContact CZ-CG2 3.5Å; F78-L149 HydrophobicContact CD2-CD2 3.89Å; F78-L149 HydrophobicContact CE2-CD2 3.95Å
79	I	82	Confident	90.2	Very high	55 Å²	55	27 Å²	27	28%	0.282	13%	0.132	S	C	.	.			trans	-85.1	-43.1	177.1	-57.2	172.4	0	0	0	110.5	T33 H59 F60 G77	T33-I79 HydrophobicContact CG2-CD1 3.88Å; H59-I79 WeakPolarHBondContact ND1-CG2 3.3Å; F60-I79 PolarHBondContact N-O 2.81Å; G77-I79 PolarHBondContact O-N 2.87Å; G77-I79 VanDerWaalsContact O-N 3.13Å
80	R	85.7	Confident	90	Very high	55 Å²	55	29.5 Å²	29.5	21%	0.208	15%	0.149	C	C	.	.	S	Bend	trans	-123.3	129.3	-174.3	-71.1	174.2	53.6	137.9	3	111.8	L32 R56 F60	L32-R80 HydrophobicContact CB-CB 4.44Å; L32-R80 HydrophobicContact CD1-CB 3.97Å; R56-R80 PolarHBondContact O-NH1 3.16Å; R56-R80 PolarHBondContact O-NH2 3.4Å; F60-R80 VanDerWaalsContact CE2-C 3.43Å
81	P	88	Confident	89.9	Confident	10 Å²	10	30.8 Å²	30.8	7%	0.065	16%	0.156	C	C	.	.			trans	-71.2	145.7	175.3	28.6	-36	0	0	0	112	I58 F60 L63 Q85 V86	I58-P81 HydrophobicContact CG2-CG 4.09Å; I58-P81 WeakPolarHBondContact O-CD 3.48Å; F60-P81 HydrophobicContact CD1-CB 4.26Å; F60-P81 HydrophobicContact CD2-CB 4.34Å; F60-P81 HydrophobicContact CE1-CB 3.86Å; F60-P81 VanDerWaalsContact CE2-CA 3.49Å; F60-P81 HydrophobicContact CE2-CB 3.92Å; F60-P81 VanDerWaalsContact CE2-N 3.34Å; F60-P81 HydrophobicContact CZ-CB 3.68Å; L63-P81 HydrophobicContact CD1-CB 4.33Å; L63-P81 HydrophobicContact CD1-CG 4.28Å; P81-Q85 HydrophobicContact CB-CB 3.79Å; P81-V86 HydrophobicContact CB-CG2 3.78Å; P81-V86 HydrophobicContact CG-CG2 3.48Å; P81-V86 VanDerWaalsContact CG-CG2 3.48Å
82	S	84.5	Confident	89.8	Confident	1 Å²	1	27 Å²	27	1%	0.007	14%	0.138	C	C	.	.			trans	-71	162.5	167.9	73	0	0	0	0	111.4	V84 Q85 V86 T106	S82-V84 PolarHBondContact O-N 2.82Å; S82-V84 VanDerWaalsContact OG-CG1 3.26Å; S82-V84 WeakPolarHBondContact OG-CG1 3.36Å; S82-Q85 WeakPolarHBondContact O-CA 3.49Å; S82-Q85 WeakPolarHBondContact O-CB 3.39Å; S82-Q85 PolarHBondContact O-N 2.8Å; S82-Q85 WeakPolarHBondContact OG-CG 3.26Å; S82-Q85 PolarHBondContact OG-OE1 3.46Å; S82-V86 WeakPolarHBondContact O-CG2 3.4Å; S82-V86 PolarHBondContact O-N 3.5Å; S82-T106 WeakPolarHBondContact CB-O 3.26Å; S82-T106 PolarHBondContact OG-O 3.03Å
83	P	83.4	Confident	89.7	Confident	31 Å²	31	31.4 Å²	31.4	20%	0.201	16%	0.155	C	C	.	.	H	α-helix	trans	-56.6	-29.9	-179.5	-29.6	38.2	0	0	0	114.2	D41 V42 K87 L275	D41-P83 WeakPolarHBondContact O-CG 3.39Å; V42-P83 WeakPolarHBondContact O-CD 3.15Å; P83-K87 WeakPolarHBondContact O-CG 3.47Å; P83-K87 PolarHBondContact O-N 3.3Å; P83-L275 HydrophobicContact CB-CD1 3.92Å; P83-L275 HydrophobicContact CB-CD2 3.86Å
84	V	86.4	Confident	89.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-74.2	-37.7	178.2	59.3	0	0	0	0	109.8	S82 K87 A88 V100 A102 L275	S82-V84 PolarHBondContact O-N 2.82Å; S82-V84 VanDerWaalsContact OG-CG1 3.26Å; S82-V84 WeakPolarHBondContact OG-CG1 3.36Å; V84-K87 PolarHBondContact O-N 3.23Å; V84-A88 WeakPolarHBondContact O-CB 3.26Å; V84-A88 PolarHBondContact O-N 2.85Å; V84-V100 HydrophobicContact CG2-CG1 3.31Å; V84-A102 HydrophobicContact CB-CB 3.89Å; V84-A102 HydrophobicContact CG1-CB 4.07Å; V84-A102 HydrophobicContact CG2-CB 3.75Å; V84-L275 HydrophobicContact CB-CD1 3.58Å; V84-L275 HydrophobicContact CB-CG 4.08Å; V84-L275 HydrophobicContact CG1-CD1 4.36Å
85	Q	90.5	Very high	89.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.3	-44.8	176.3	-67.8	164.2	-6.8	0	0	111.3	P81 S82 K87 A88 I89 G107 V111	P81-Q85 HydrophobicContact CB-CB 3.79Å; S82-Q85 WeakPolarHBondContact O-CA 3.49Å; S82-Q85 WeakPolarHBondContact O-CB 3.39Å; S82-Q85 PolarHBondContact O-N 2.8Å; S82-Q85 WeakPolarHBondContact OG-CG 3.26Å; S82-Q85 PolarHBondContact OG-OE1 3.46Å; Q85-K87 VanDerWaalsContact C-N 3.28Å; Q85-K87 PolarHBondContact O-N 3.41Å; Q85-A88 PolarHBondContact O-N 3.46Å; Q85-I89 HydrophobicContact CB-CD1 3.8Å; Q85-I89 HydrophobicContact CB-CG1 4.43Å; Q85-I89 HydrophobicContact CG-CD1 4.3Å; Q85-I89 VanDerWaalsContact O-CB 3.26Å; Q85-I89 WeakPolarHBondContact O-CB 3.49Å; Q85-I89 VanDerWaalsContact O-CG1 3.31Å; Q85-I89 WeakPolarHBondContact O-CG1 3.31Å; Q85-I89 PolarHBondContact O-N 3.25Å; Q85-G107 PolarHBondContact NE2-O 2.92Å; Q85-V111 HydrophobicContact CB-CG2 4.43Å; Q85-V111 HydrophobicContact CG-CG2 3.77Å
86	V	89.3	Confident	89.8	Confident	28 Å²	28	35.4 Å²	35.4	17%	0.17	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-42.3	175.6	173.8	0	0	0	0	111.5	I58 P81 S82 P90	I58-V86 HydrophobicContact CD1-CG1 3.87Å; I58-V86 HydrophobicContact CG2-CG2 4.32Å; P81-V86 HydrophobicContact CB-CG2 3.78Å; P81-V86 HydrophobicContact CG-CG2 3.48Å; P81-V86 VanDerWaalsContact CG-CG2 3.48Å; S82-V86 WeakPolarHBondContact O-CG2 3.4Å; S82-V86 PolarHBondContact O-N 3.5Å; V86-P90 WeakPolarHBondContact O-CD 3.39Å; V86-P90 WeakPolarHBondContact O-CG 3.34Å
87	K	88.6	Confident	90.3	Very high	99 Å²	99	35.8 Å²	35.8	43%	0.43	19%	0.192	S	C	.	.	H	α-helix	trans	-79.6	-41.1	-178.4	-70.2	-174.8	-176.7	-177.4	0	113.2	P83 V84 Q85 L91 V273 L275	P83-K87 WeakPolarHBondContact O-CG 3.47Å; P83-K87 PolarHBondContact O-N 3.3Å; V84-K87 PolarHBondContact O-N 3.23Å; Q85-K87 VanDerWaalsContact C-N 3.28Å; Q85-K87 PolarHBondContact O-N 3.41Å; K87-L91 WeakPolarHBondContact O-CD1 3.4Å; K87-V273 HydrophobicContact CB-CG1 3.71Å; K87-V273 HydrophobicContact CD-CG1 4.4Å; K87-L275 HydrophobicContact CD-CD2 3.79Å
88	A	93.1	Very high	90.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-88.5	-36.5	-170	0	0	0	0	0	113.8	V84 Q85 L91 G92 L98 V100 V111 V273	V84-A88 WeakPolarHBondContact O-CB 3.26Å; V84-A88 PolarHBondContact O-N 2.85Å; Q85-A88 PolarHBondContact O-N 3.46Å; A88-L91 PolarHBondContact O-N 2.97Å; A88-G92 PolarHBondContact O-N 3.45Å; A88-L98 HydrophobicContact CB-CD1 4.44Å; A88-V100 HydrophobicContact CB-CG1 4.43Å; A88-V100 HydrophobicContact CB-CG2 4.05Å; A88-V111 HydrophobicContact CB-CG1 3.52Å; A88-V111 HydrophobicContact CB-CG2 4.36Å; A88-V273 HydrophobicContact CB-CG1 4.35Å; A88-V273 HydrophobicContact CB-CG2 4.26Å
89	I	94.6	Very high	91.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-48	-176.2	-67.9	172.3	0	0	0	111.6	F60 L63 L65 Q85 L91 G92 R93 V111 V114	F60-I89 HydrophobicContact CE1-CD1 3.96Å; L63-I89 HydrophobicContact CD1-CB 4.38Å; L63-I89 HydrophobicContact CD1-CD1 4.16Å; L63-I89 HydrophobicContact CD1-CG2 4.27Å; L65-I89 HydrophobicContact CD2-CG2 4.09Å; Q85-I89 HydrophobicContact CB-CD1 3.8Å; Q85-I89 HydrophobicContact CB-CG1 4.43Å; Q85-I89 HydrophobicContact CG-CD1 4.3Å; Q85-I89 VanDerWaalsContact O-CB 3.26Å; Q85-I89 WeakPolarHBondContact O-CB 3.49Å; Q85-I89 VanDerWaalsContact O-CG1 3.31Å; Q85-I89 WeakPolarHBondContact O-CG1 3.31Å; Q85-I89 PolarHBondContact O-N 3.25Å; I89-L91 PolarHBondContact O-N 3.47Å; I89-G92 PolarHBondContact O-N 2.91Å; I89-R93 HydrophobicContact CG2-CG 4.29Å; I89-R93 WeakPolarHBondContact O-CG 3.42Å; I89-R93 PolarHBondContact O-N 2.9Å; I89-V111 HydrophobicContact CG1-CG1 4.32Å; I89-V114 HydrophobicContact CD1-CB 4.29Å; I89-V114 HydrophobicContact CD1-CG1 4.33Å; I89-V114 HydrophobicContact CD1-CG2 4.41Å; I89-V114 HydrophobicContact CG2-CG1 3.79Å
90	P	92.5	Very high	91.8	Very high	54 Å²	54	32.7 Å²	32.7	35%	0.351	17%	0.173	S	C	.	.	H	α-helix	trans	-59.3	-44.3	178.5	-26	36.7	0	0	0	113	L63 V86 G92 R93 L94	L63-P90 HydrophobicContact CD2-CG 4.26Å; V86-P90 WeakPolarHBondContact O-CD 3.39Å; V86-P90 WeakPolarHBondContact O-CG 3.34Å; P90-G92 VanDerWaalsContact C-N 3.35Å; P90-G92 PolarHBondContact O-N 3.41Å; P90-R93 PolarHBondContact O-N 3.35Å; P90-L94 WeakPolarHBondContact O-CG 3.3Å; P90-L94 PolarHBondContact O-N 2.92Å; P90-L94 VanDerWaalsContact O-N 3.16Å
91	L	93.8	Very high	92	Very high	54 Å²	54	31 Å²	31	28%	0.283	17%	0.167	S	C	.	.	H	α-helix	trans	-64.2	-40.4	178	-61.1	175.6	0	0	0	111.7	K87 A88 I89 R93 L94 M96 L98 A271 V273	K87-L91 WeakPolarHBondContact O-CD1 3.4Å; A88-L91 PolarHBondContact O-N 2.97Å; I89-L91 PolarHBondContact O-N 3.47Å; L91-R93 PolarHBondContact O-N 3.2Å; L91-L94 WeakPolarHBondContact O-CB 3.28Å; L91-L94 PolarHBondContact O-N 3.34Å; L91-M96 HydrophobicContact CD2-SD 4.04Å; L91-M96 PolarHBondContact O-N 3.16Å; L91-L98 HydrophobicContact CB-CD2 3.68Å; L91-A271 HydrophobicContact CD1-CB 4.12Å; L91-V273 HydrophobicContact CD1-CG2 3.89Å
92	G	94.9	Very high	91.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-37.5	176.5	0	0	0	0	0	112.5	A88 I89 P90 L94 G95 Q246	A88-G92 PolarHBondContact O-N 3.45Å; I89-G92 PolarHBondContact O-N 2.91Å; P90-G92 VanDerWaalsContact C-N 3.35Å; P90-G92 PolarHBondContact O-N 3.41Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 2.98Å; G92-G95 PolarHBondContact O-N 3.01Å; G92-Q246 PolarHBondContact O-NE2 3.38Å
93	R	94.2	Very high	91.6	Very high	93 Å²	93	30.6 Å²	30.6	35%	0.351	17%	0.165	S	C	.	.	H	α-helix	trans	-68.4	-24.7	175.1	-70.8	179.9	76	-145.7	4.9	113.4	L63 Q64 I89 P90 L91 G95 E118	L63-R93 PolarHBondContact O-NH1 3.07Å; Q64-R93 VanDerWaalsContact O-CZ 3.23Å; Q64-R93 PolarHBondContact O-NH1 3.44Å; Q64-R93 PolarHBondContact O-NH2 2.94Å; I89-R93 HydrophobicContact CG2-CG 4.29Å; I89-R93 WeakPolarHBondContact O-CG 3.42Å; I89-R93 PolarHBondContact O-N 2.9Å; P90-R93 PolarHBondContact O-N 3.35Å; L91-R93 PolarHBondContact O-N 3.2Å; R93-G95 PolarHBondContact O-N 2.71Å; R93-E118 HydrophobicContact CG-CG 4.46Å; R93-E118 IonicContact CZ-OE2 3.31Å; R93-E118 VanDerWaalsContact CZ-OE2 3.31Å; R93-E118 IonicContact NE-OE2 3.17Å; R93-E118 PolarHBondContact NE-OE2 2.95Å; R93-E118 VanDerWaalsContact NE-OE2 3.17Å; R93-E118 IonicContact NH2-OE2 2.76Å; R93-E118 PolarHBondContact NH2-OE2 3.22Å
94	L	93	Very high	91.2	Very high	134 Å²	134	29.3 Å²	29.3	70%	0.702	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.4	171	-66.7	171.2	0	0	0	112.8	P90 L91 G92 M96	P90-L94 WeakPolarHBondContact O-CG 3.3Å; P90-L94 PolarHBondContact O-N 2.92Å; P90-L94 VanDerWaalsContact O-N 3.16Å; L91-L94 WeakPolarHBondContact O-CB 3.28Å; L91-L94 PolarHBondContact O-N 3.34Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 2.98Å; L94-M96 VanDerWaalsContact C-N 3.32Å; L94-M96 HydrophobicContact CB-CG 4.28Å
95	G	92.8	Very high	90.7	Very high	43 Å²	43	30.2 Å²	30.2	44%	0.443	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	11	-179.6	0	0	0	0	0	113.9	G92 R93	G92-G95 PolarHBondContact O-N 3.01Å; R93-G95 PolarHBondContact O-N 2.71Å
96	M	95.9	Very high	89.8	Confident	70 Å²	70	30.5 Å²	30.5	35%	0.345	17%	0.168	S	C	.	.			trans	-70.1	144.7	175.6	-60.2	-177	75.8	0	0	110.6	L91 L94 L98 Q246 A271	L91-M96 HydrophobicContact CD2-SD 4.04Å; L91-M96 PolarHBondContact O-N 3.16Å; L94-M96 VanDerWaalsContact C-N 3.32Å; L94-M96 HydrophobicContact CB-CG 4.28Å; M96-L98 HydrophobicContact CB-CD2 4.37Å; M96-Q246 PolarHBondContact O-NE2 3.37Å; M96-A271 HydrophobicContact CE-CB 3.88Å; M96-A271 HydrophobicContact SD-CB 4.46Å
97	D	98.5	Very high	89.4	Confident	11 Å²	11	29.5 Å²	29.5	6%	0.059	16%	0.164	C	C	.	.			trans	-66.2	142	165.9	-78.3	7.4	0	0	0	109.5	Q246 V247 M267 N268 P270 A271	D97-Q246 WeakPolarHBondContact OD1-CA 3.46Å; D97-V247 CarbonylContact C-O 3.39Å; D97-V247 WeakPolarHBondContact CA-O 3.44Å; D97-V247 PolarHBondContact OD1-N 2.88Å; D97-M267 HydrophobicContact CB-CB 4.27Å; D97-M267 HydrophobicContact CB-CE 3.91Å; D97-M267 WeakPolarHBondContact OD2-CA 3.43Å; D97-M267 WeakPolarHBondContact OD2-CB 3.48Å; D97-N268 PolarHBondContact OD2-N 3.42Å; D97-P270 HydrophobicContact CB-CB 3.96Å; D97-P270 CarbonylContact O-C 3.49Å; D97-P270 VanDerWaalsContact O-CA 3.26Å; D97-P270 WeakPolarHBondContact O-CA 3.35Å; D97-A271 PolarHBondContact O-N 3.07Å
98	L	97.4	Very high	89.5	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.4	-173.5	-60.4	-175.8	0	0	0	112.6	A88 L91 M96 V100 V247 L248 A249 M267 A271	A88-L98 HydrophobicContact CB-CD1 4.44Å; L91-L98 HydrophobicContact CB-CD2 3.68Å; M96-L98 HydrophobicContact CB-CD2 4.37Å; L98-V100 HydrophobicContact CB-CG2 3.96Å; L98-V100 HydrophobicContact CD1-CG2 4.38Å; L98-V247 PolarHBondContact N-O 2.82Å; L98-L248 HydrophobicContact CB-CG 4.28Å; L98-L248 HydrophobicContact CD1-CD2 4.03Å; L98-L248 HydrophobicContact CD1-CG 4.42Å; L98-L248 HydrophobicContact CG-CG 4.47Å; L98-L248 WeakPolarHBondContact O-CA 3.46Å; L98-A249 PolarHBondContact O-N 2.64Å; L98-M267 WeakPolarHBondContact O-CE 3.43Å; L98-A271 WeakPolarHBondContact CA-O 3.38Å; L98-A271 HydrophobicContact CD2-CB 3.94Å
99	I	96.4	Very high	89.5	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.3	162	-61.1	174.5	0	0	0	107.7	A249 Y254 V259 L263 M267 P270 A271 I272 V273	I99-A249 WeakPolarHBondContact CA-O 3.22Å; I99-Y254 HydrophobicContact CG2-CD2 4.3Å; I99-Y254 HydrophobicContact CG2-CE1 4.33Å; I99-Y254 HydrophobicContact CG2-CE2 3.87Å; I99-V259 HydrophobicContact CD1-CG1 4.13Å; I99-V259 HydrophobicContact CG2-CG2 4.3Å; I99-L263 HydrophobicContact CD1-CB 4.11Å; I99-L263 HydrophobicContact CD1-CD1 3.88Å; I99-L263 HydrophobicContact CG1-CD1 4.08Å; I99-L263 HydrophobicContact CG2-CD1 4.27Å; I99-M267 HydrophobicContact CD1-SD 4.07Å; I99-M267 HydrophobicContact CG1-CE 4.02Å; I99-M267 HydrophobicContact CG1-SD 3.7Å; I99-P270 HydrophobicContact CD1-CB 4.16Å; I99-P270 HydrophobicContact CD1-CG 3.84Å; I99-P270 HydrophobicContact CG1-CB 4.02Å; I99-P270 HydrophobicContact CG1-CG 4.28Å; I99-A271 PolarHBondContact N-O 2.99Å; I99-I272 HydrophobicContact CB-CG1 4.35Å; I99-I272 WeakPolarHBondContact O-CA 3.34Å; I99-V273 PolarHBondContact O-N 3.49Å
100	V	94.1	Very high	89.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.6	-174.1	-174.8	0	0	0	0	110.6	V84 A88 L98 A249 L250 S251 V273	V84-V100 HydrophobicContact CG2-CG1 3.31Å; A88-V100 HydrophobicContact CB-CG1 4.43Å; A88-V100 HydrophobicContact CB-CG2 4.05Å; L98-V100 HydrophobicContact CB-CG2 3.96Å; L98-V100 HydrophobicContact CD1-CG2 4.38Å; V100-A249 PolarHBondContact N-O 3.12Å; V100-L250 HydrophobicContact CB-CB 4.46Å; V100-L250 HydrophobicContact CB-CD2 3.98Å; V100-L250 HydrophobicContact CB-CG 3.92Å; V100-L250 HydrophobicContact CG1-CD2 4.25Å; V100-L250 HydrophobicContact CG2-CD2 4.24Å; V100-L250 HydrophobicContact CG2-CG 4.24Å; V100-L250 WeakPolarHBondContact O-CA 3.34Å; V100-S251 PolarHBondContact O-N 3.47Å; V100-V273 HydrophobicContact CG2-CB 4.49Å
101	Q	90.6	Very high	89.7	Confident	19 Å²	19	24.8 Å²	24.8	9%	0.089	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115	174.5	-164.9	176.2	2.1	0	0	111.2	S251 Y254 V273 R274	Q101-S251 WeakPolarHBondContact CA-O 3.45Å; Q101-Y254 HydrophobicContact CB-CD2 3.73Å; Q101-Y254 HydrophobicContact CB-CE2 4.08Å; Q101-Y254 HydrophobicContact CG-CD2 3.76Å; Q101-Y254 HydrophobicContact CG-CE2 4.42Å; Q101-V273 PolarHBondContact N-O 3.37Å; Q101-R274 HydrophobicContact CB-CG 3.93Å; Q101-R274 VanDerWaalsContact OE1-NE 3.16Å
102	A	84.5	Confident	89.9	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.008	13%	0.128	C	C	.	.			trans	-153.7	151	174.8	0	0	0	0	0	112	V84 T106 K108 S251 A252 L275	V84-A102 HydrophobicContact CB-CB 3.89Å; V84-A102 HydrophobicContact CG1-CB 4.07Å; V84-A102 HydrophobicContact CG2-CB 3.75Å; A102-T106 WeakPolarHBondContact CB-OG1 3.41Å; A102-K108 HydrophobicContact CB-CD 4.24Å; A102-K108 HydrophobicContact CB-CG 4.16Å; A102-K108 PolarHBondContact O-NZ 3.25Å; A102-S251 PolarHBondContact N-O 2.95Å; A102-A252 VanDerWaalsContact O-CA 3.28Å; A102-A252 WeakPolarHBondContact O-CA 3.5Å; A102-L275 HydrophobicContact CB-CD1 4.38Å
103	K	78.6	Confident	90	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	13%	0.127	C	C	.	.			trans	-46.4	147.5	178.6	170.6	-175.7	-164.8	-159.8	0	112.9	G105 T106 K108 P280 A281 I283 G411	K103-G105 PolarHBondContact O-N 3.13Å; K103-T106 HydrophobicContact CB-CG2 3.63Å; K103-T106 HydrophobicContact CD-CG2 4.27Å; K103-T106 HydrophobicContact CG-CG2 4.07Å; K103-T106 WeakPolarHBondContact O-CB 3.49Å; K103-T106 WeakPolarHBondContact O-CG2 3.16Å; K103-T106 PolarHBondContact O-N 3.04Å; K103-T106 PolarHBondContact O-OG1 3.33Å; K103-K108 PolarHBondContact O-NZ 3.29Å; K103-P280 HydrophobicContact CB-CB 3.98Å; K103-P280 WeakPolarHBondContact CB-O 3.49Å; K103-P280 WeakPolarHBondContact CD-O 3.34Å; K103-P280 WeakPolarHBondContact CG-O 3.32Å; K103-A281 WeakPolarHBondContact CE-O 3.26Å; K103-I283 WeakPolarHBondContact CE-O 3.4Å; K103-I283 PolarHBondContact NZ-O 2.82Å; K103-G411 PolarHBondContact NZ-O 3.04Å
104	S	76.2	Confident	90.2	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.028	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	135.3	171.2	-64	0	0	0	0	112	T106 G408	S104-T106 VanDerWaalsContact C-N 3.31Å; S104-T106 PolarHBondContact O-N 3.39Å; S104-G408 WeakPolarHBondContact CB-O 3.16Å
105	G	75.2	Confident	90.5	Very high	20 Å²	20	11.5 Å²	11.5	21%	0.206	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	16.2	179.8	0	0	0	0	0	115.9	K103 G107 F413	K103-G105 PolarHBondContact O-N 3.13Å; G105-G107 VanDerWaalsContact C-N 3.29Å; G105-F413 WeakPolarHBondContact O-CA 3.41Å; G105-F413 PolarHBondContact O-N 3.45Å
106	T	72	Confident	90.8	Very high	5 Å²	5	9.5 Å²	9.5	3%	0.031	6%	0.057	C	C	.	.	S	Bend	trans	-88.1	7.7	171.8	55.6	0	0	0	0	114	V42 S82 A102 K103 S104	V42-T106 HydrophobicContact CG2-CG2 4.43Å; S82-T106 WeakPolarHBondContact CB-O 3.26Å; S82-T106 PolarHBondContact OG-O 3.03Å; A102-T106 WeakPolarHBondContact CB-OG1 3.41Å; K103-T106 HydrophobicContact CB-CG2 3.63Å; K103-T106 HydrophobicContact CD-CG2 4.27Å; K103-T106 HydrophobicContact CG-CG2 4.07Å; K103-T106 WeakPolarHBondContact O-CB 3.49Å; K103-T106 WeakPolarHBondContact O-CG2 3.16Å; K103-T106 PolarHBondContact O-N 3.04Å; K103-T106 PolarHBondContact O-OG1 3.33Å; S104-T106 VanDerWaalsContact C-N 3.31Å; S104-T106 PolarHBondContact O-N 3.39Å
107	G	81.4	Confident	90.9	Very high	8 Å²	8	6.5 Å²	6.5	8%	0.082	4%	0.042	C	C	.	.	S	Bend	trans	88.7	28.7	175.7	0	0	0	0	0	115.4	Q85 G105 T109 V110	Q85-G107 PolarHBondContact NE2-O 2.92Å; G105-G107 VanDerWaalsContact C-N 3.29Å; G107-T109 VanDerWaalsContact C-N 3.26Å; G107-T109 PolarHBondContact O-N 3.44Å; G107-V110 WeakPolarHBondContact O-CB 3.15Å; G107-V110 PolarHBondContact O-N 2.94Å
108	K	90.3	Very high	90.9	Very high	13 Å²	13	8.2 Å²	8.2	6%	0.057	5%	0.05	C	C	.	.	H	α-helix	trans	-54.7	-39.1	173.1	-65.8	-166.1	-62.8	-81.2	0	113	A102 K103 V110 V111 L250	A102-K108 HydrophobicContact CB-CD 4.24Å; A102-K108 HydrophobicContact CB-CG 4.16Å; A102-K108 PolarHBondContact O-NZ 3.25Å; K103-K108 PolarHBondContact O-NZ 3.29Å; K108-V110 VanDerWaalsContact C-N 3.26Å; K108-V110 PolarHBondContact O-N 3.01Å; K108-V111 VanDerWaalsContact O-CB 3.23Å; K108-V111 WeakPolarHBondContact O-CB 3.26Å; K108-V111 PolarHBondContact O-N 3.02Å; K108-L250 HydrophobicContact CB-CD2 3.97Å; K108-L250 HydrophobicContact CD-CB 4.34Å; K108-L250 WeakPolarHBondContact O-CD2 3.42Å
109	T	93.3	Very high	90.9	Very high	38 Å²	38	11 Å²	11	23%	0.233	7%	0.073	C	C	.	.	H	α-helix	trans	-57.8	-39	178.2	-48.2	0	0	0	0	112.6	G107 V111 F112 A113 V145	G107-T109 VanDerWaalsContact C-N 3.26Å; G107-T109 PolarHBondContact O-N 3.44Å; T109-V111 VanDerWaalsContact C-N 3.28Å; T109-V111 PolarHBondContact O-N 2.83Å; T109-F112 VanDerWaalsContact CA-CE1 3.48Å; T109-F112 HydrophobicContact CG2-CE1 4.2Å; T109-F112 HydrophobicContact CG2-CE2 4.12Å; T109-F112 HydrophobicContact CG2-CZ 3.61Å; T109-A113 WeakPolarHBondContact O-CB 3.19Å; T109-A113 PolarHBondContact O-N 3.17Å; T109-V145 HydrophobicContact CG2-CB 3.68Å; T109-V145 HydrophobicContact CG2-CG1 3.75Å; T109-V145 HydrophobicContact CG2-CG2 3.9Å
110	V	94.7	Very high	90.9	Very high	3 Å²	3	12 Å²	12	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-65.9	-32.5	176.8	179.6	0	0	0	0	111.4	F60 L73 F78 G107 K108 A113 V114 V145 L149	F60-V110 HydrophobicContact CE1-CG1 4.35Å; F60-V110 HydrophobicContact CZ-CG1 4.21Å; L73-V110 HydrophobicContact CD2-CG1 3.94Å; F78-V110 HydrophobicContact CD1-CG2 4.22Å; F78-V110 HydrophobicContact CE1-CG2 3.37Å; F78-V110 HydrophobicContact CE2-CG2 4.41Å; F78-V110 HydrophobicContact CZ-CG2 3.5Å; G107-V110 WeakPolarHBondContact O-CB 3.15Å; G107-V110 PolarHBondContact O-N 2.94Å; K108-V110 VanDerWaalsContact C-N 3.26Å; K108-V110 PolarHBondContact O-N 3.01Å; V110-A113 PolarHBondContact O-N 3.41Å; V110-V114 HydrophobicContact CG1-CG2 3.9Å; V110-V114 WeakPolarHBondContact O-CB 3.34Å; V110-V114 VanDerWaalsContact O-CG2 3.26Å; V110-V114 WeakPolarHBondContact O-CG2 3.42Å; V110-V114 PolarHBondContact O-N 2.69Å; V110-V145 HydrophobicContact CG2-CG1 4.4Å; V110-L149 HydrophobicContact CG1-CD1 4.11Å
111	V	95.7	Very high	91.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.4	-59.9	178.7	179.1	0	0	0	0	110	Q85 A88 I89 K108 T109 A113 V114 V115 L250	Q85-V111 HydrophobicContact CB-CG2 4.43Å; Q85-V111 HydrophobicContact CG-CG2 3.77Å; A88-V111 HydrophobicContact CB-CG1 3.52Å; A88-V111 HydrophobicContact CB-CG2 4.36Å; I89-V111 HydrophobicContact CG1-CG1 4.32Å; K108-V111 VanDerWaalsContact O-CB 3.23Å; K108-V111 WeakPolarHBondContact O-CB 3.26Å; K108-V111 PolarHBondContact O-N 3.02Å; T109-V111 VanDerWaalsContact C-N 3.28Å; T109-V111 PolarHBondContact O-N 2.83Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.07Å; V111-V114 PolarHBondContact O-N 3.17Å; V111-V115 VanDerWaalsContact O-CG2 3.24Å; V111-V115 WeakPolarHBondContact O-CG2 3.16Å; V111-V115 PolarHBondContact O-N 2.82Å; V111-L250 HydrophobicContact CB-CD2 4.18Å; V111-L250 HydrophobicContact CG1-CD2 4.41Å
112	F	98	Very high	91.4	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-71.5	-31.4	-178.5	66.8	-110.7	0	0	0	112.1	T109 V115 I116 V131 I146 V205 D207 L248 L250	T109-F112 VanDerWaalsContact CA-CE1 3.48Å; T109-F112 HydrophobicContact CG2-CE1 4.2Å; T109-F112 HydrophobicContact CG2-CE2 4.12Å; T109-F112 HydrophobicContact CG2-CZ 3.61Å; F112-V115 PolarHBondContact O-N 3.06Å; F112-I116 HydrophobicContact CD2-CD1 4.16Å; F112-I116 WeakPolarHBondContact O-CB 3.35Å; F112-I116 WeakPolarHBondContact O-CD1 3.44Å; F112-I116 WeakPolarHBondContact O-CG1 3.47Å; F112-I116 PolarHBondContact O-N 3.33Å; F112-V131 HydrophobicContact CD2-CG2 4.45Å; F112-V131 HydrophobicContact CE2-CG1 4.02Å; F112-V131 HydrophobicContact CE2-CG2 4.42Å; F112-V131 HydrophobicContact CZ-CG1 4.21Å; F112-I146 HydrophobicContact CE2-CD1 4.07Å; F112-I146 HydrophobicContact CE2-CG1 4.49Å; F112-V205 HydrophobicContact CB-CG1 3.84Å; F112-V205 HydrophobicContact CB-CG2 4.17Å; F112-V205 HydrophobicContact CD1-CG1 3.92Å; F112-V205 HydrophobicContact CD2-CG1 4.24Å; F112-V205 HydrophobicContact CE1-CG1 4.45Å; F112-V205 HydrophobicContact CG-CG1 3.77Å; F112-D207 HydrophobicContact CE1-CB 4.19Å; F112-L248 HydrophobicContact CB-CD2 4.14Å; F112-L250 HydrophobicContact CB-CD1 4.15Å; F112-L250 HydrophobicContact CD1-CD1 3.79Å; F112-L250 HydrophobicContact CD1-CD2 4.02Å; F112-L250 HydrophobicContact CD1-CG 4.47Å; F112-L250 HydrophobicContact CG-CD1 4.42Å
113	A	98.3	Very high	91.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-49.3	176	0	0	0	0	0	110.8	T109 V110 V111 I116 L117 V145 I146 L149	T109-A113 WeakPolarHBondContact O-CB 3.19Å; T109-A113 PolarHBondContact O-N 3.17Å; V110-A113 PolarHBondContact O-N 3.41Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.07Å; A113-I116 PolarHBondContact O-N 3.02Å; A113-L117 WeakPolarHBondContact O-CB 3.49Å; A113-L117 WeakPolarHBondContact O-CG 3.39Å; A113-L117 PolarHBondContact O-N 3.44Å; A113-V145 HydrophobicContact CB-CG1 4.4Å; A113-I146 HydrophobicContact CB-CG1 3.7Å; A113-L149 HydrophobicContact CB-CD1 3.89Å
114	V	98.2	Very high	92.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-45	177	170.9	0	0	0	0	111.2	L65 V69 L73 I89 V110 V111 I116 L117 E118 L149	L65-V114 HydrophobicContact CD1-CG1 3.91Å; L65-V114 HydrophobicContact CD2-CG1 3.7Å; L65-V114 HydrophobicContact CG-CG1 4.45Å; V69-V114 HydrophobicContact CG1-CG1 4.27Å; V69-V114 HydrophobicContact CG1-CG2 4.24Å; L73-V114 HydrophobicContact CD1-CG2 4.23Å; L73-V114 HydrophobicContact CD2-CG2 4.25Å; I89-V114 HydrophobicContact CD1-CB 4.29Å; I89-V114 HydrophobicContact CD1-CG1 4.33Å; I89-V114 HydrophobicContact CD1-CG2 4.41Å; I89-V114 HydrophobicContact CG2-CG1 3.79Å; V110-V114 HydrophobicContact CG1-CG2 3.9Å; V110-V114 WeakPolarHBondContact O-CB 3.34Å; V110-V114 VanDerWaalsContact O-CG2 3.26Å; V110-V114 WeakPolarHBondContact O-CG2 3.42Å; V110-V114 PolarHBondContact O-N 2.69Å; V111-V114 PolarHBondContact O-N 3.17Å; V114-I116 VanDerWaalsContact C-N 3.26Å; V114-I116 PolarHBondContact O-N 3.27Å; V114-L117 PolarHBondContact O-N 2.64Å; V114-E118 HydrophobicContact CG1-CG 4.17Å; V114-E118 WeakPolarHBondContact O-CB 3.44Å; V114-E118 VanDerWaalsContact O-CG 3.26Å; V114-E118 WeakPolarHBondContact O-CG 3.33Å; V114-E118 PolarHBondContact O-N 3.33Å; V114-L149 HydrophobicContact CG2-CD1 4.24Å
115	V	98.5	Very high	93.4	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-37.2	178.4	172.1	0	0	0	0	111.6	V111 F112 Q203 L248	V111-V115 VanDerWaalsContact O-CG2 3.24Å; V111-V115 WeakPolarHBondContact O-CG2 3.16Å; V111-V115 PolarHBondContact O-N 2.82Å; F112-V115 PolarHBondContact O-N 3.06Å; V115-Q203 PolarHBondContact O-NE2 2.99Å; V115-L248 HydrophobicContact CB-CD2 4.2Å; V115-L248 HydrophobicContact CG1-CD1 4.36Å; V115-L248 HydrophobicContact CG1-CD2 3.99Å; V115-L248 HydrophobicContact CG2-CD2 4.38Å
116	I	98.7	Very high	94.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-54	174.1	-69.3	165.1	0	0	0	110.9	F112 A113 V114 E118 A119 I120 A129 V131 I179 Q203 V205	F112-I116 HydrophobicContact CD2-CD1 4.16Å; F112-I116 WeakPolarHBondContact O-CB 3.35Å; F112-I116 WeakPolarHBondContact O-CD1 3.44Å; F112-I116 WeakPolarHBondContact O-CG1 3.47Å; F112-I116 PolarHBondContact O-N 3.33Å; A113-I116 PolarHBondContact O-N 3.02Å; V114-I116 VanDerWaalsContact C-N 3.26Å; V114-I116 PolarHBondContact O-N 3.27Å; I116-E118 PolarHBondContact O-N 2.85Å; I116-A119 PolarHBondContact O-N 2.77Å; I116-I120 HydrophobicContact CG2-CD1 4.18Å; I116-I120 HydrophobicContact CG2-CG1 3.71Å; I116-I120 WeakPolarHBondContact O-CG1 3.38Å; I116-I120 PolarHBondContact O-N 2.97Å; I116-A129 HydrophobicContact CD1-CB 4.24Å; I116-A129 HydrophobicContact CG1-CB 4.13Å; I116-A129 HydrophobicContact CG2-CB 3.71Å; I116-V131 HydrophobicContact CD1-CG2 3.53Å; I116-I179 HydrophobicContact CG2-CD1 3.56Å; I116-I179 HydrophobicContact CG2-CG1 3.94Å; I116-Q203 VanDerWaalsContact CA-OE1 3.28Å; I116-V205 HydrophobicContact CD1-CG2 3.94Å; I116-V205 HydrophobicContact CG1-CG2 4.45Å
117	L	98.7	Very high	95.7	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-30.8	-173.4	-65.8	178	0	0	0	113.2	V69 A113 V114 A119 I146 L149 A150 I153 L156 I179	V69-L117 HydrophobicContact CG2-CB 3.73Å; A113-L117 WeakPolarHBondContact O-CB 3.49Å; A113-L117 WeakPolarHBondContact O-CG 3.39Å; A113-L117 PolarHBondContact O-N 3.44Å; V114-L117 PolarHBondContact O-N 2.64Å; L117-A119 VanDerWaalsContact C-N 3.27Å; L117-A119 PolarHBondContact O-N 3.17Å; L117-I146 HydrophobicContact CD2-CG2 4.18Å; L117-L149 HydrophobicContact CD1-CB 3.6Å; L117-A150 HydrophobicContact CD1-CB 4.04Å; L117-A150 HydrophobicContact CD2-CB 3.71Å; L117-I153 HydrophobicContact CB-CD1 3.98Å; L117-I153 HydrophobicContact CD1-CD1 4.41Å; L117-I153 HydrophobicContact CD2-CD1 4.02Å; L117-I153 HydrophobicContact CG-CD1 4.35Å; L117-L156 HydrophobicContact CD2-CD1 3.53Å; L117-L156 HydrophobicContact CD2-CD2 4.35Å; L117-I179 HydrophobicContact CD2-CD1 3.98Å
118	E	98	Very high	96.5	Very high	46 Å²	46	37 Å²	37	22%	0.215	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-19.4	174.6	-71.6	-73.1	118.6	0	0	113.6	L65 S66 V69 R93 V114 I116	L65-E118 HydrophobicContact CD2-CG 4.25Å; S66-E118 WeakPolarHBondContact CB-OE1 3.42Å; S66-E118 PolarHBondContact N-OE1 3.08Å; S66-E118 PolarHBondContact N-OE2 3.49Å; S66-E118 PolarHBondContact OG-OE1 3.34Å; V69-E118 WeakPolarHBondContact CG2-OE1 3.13Å; R93-E118 HydrophobicContact CG-CG 4.46Å; R93-E118 IonicContact CZ-OE2 3.31Å; R93-E118 VanDerWaalsContact CZ-OE2 3.31Å; R93-E118 IonicContact NE-OE2 3.17Å; R93-E118 PolarHBondContact NE-OE2 2.95Å; R93-E118 VanDerWaalsContact NE-OE2 3.17Å; R93-E118 IonicContact NH2-OE2 2.76Å; R93-E118 PolarHBondContact NH2-OE2 3.22Å; V114-E118 HydrophobicContact CG1-CG 4.17Å; V114-E118 WeakPolarHBondContact O-CB 3.44Å; V114-E118 VanDerWaalsContact O-CG 3.26Å; V114-E118 WeakPolarHBondContact O-CG 3.33Å; V114-E118 PolarHBondContact O-N 3.33Å; I116-E118 PolarHBondContact O-N 2.85Å
119	A	97.1	Very high	96.9	Very high	59 Å²	59	36.4 Å²	36.4	49%	0.488	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-21.3	-177.4	0	0	0	0	0	114	I116 L117	I116-A119 PolarHBondContact O-N 2.77Å; L117-A119 VanDerWaalsContact C-N 3.27Å; L117-A119 PolarHBondContact O-N 3.17Å
120	I	97.8	Very high	97.2	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.118	18%	0.182	C	C	.	.			trans	-67.3	133.3	-176.6	-71.2	-70.5	0	0	0	111.9	I116 V122 Q128 A129 L156 H178 I179	I116-I120 HydrophobicContact CG2-CD1 4.18Å; I116-I120 HydrophobicContact CG2-CG1 3.71Å; I116-I120 WeakPolarHBondContact O-CG1 3.38Å; I116-I120 PolarHBondContact O-N 2.97Å; I120-V122 HydrophobicContact CG2-CG1 4.28Å; I120-Q128 HydrophobicContact CD1-CB 3.38Å; I120-Q128 HydrophobicContact CD1-CG 4.41Å; I120-A129 HydrophobicContact CD1-CB 4.26Å; I120-L156 HydrophobicContact CB-CD1 4.32Å; I120-L156 HydrophobicContact CG2-CD1 3.8Å; I120-L156 HydrophobicContact CG2-CG 4.47Å; I120-H178 HydrophobicContact CG2-CB 4.35Å; I120-I179 HydrophobicContact CD1-CG1 3.92Å; I120-I179 HydrophobicContact CG1-CD1 4.18Å; I120-I179 HydrophobicContact CG1-CG1 4.13Å
121	N	97.1	Very high	97.4	Very high	75 Å²	75	34.5 Å²	34.5	40%	0.401	18%	0.181	S	C	.	.			trans	-105	103	169.2	-179.5	1.1	0	0	0	111.1	K123 R124 Q128	N121-K123 PolarHBondContact O-N 2.76Å; N121-K123 WeakPolarHBondContact OD1-CB 3.24Å; N121-K123 PolarHBondContact OD1-N 2.95Å; N121-R124 PolarHBondContact O-N 2.81Å; N121-R124 VanDerWaalsContact O-N 3.15Å; N121-Q128 PolarHBondContact O-NE2 3.28Å
122	V	97	Very high	97.5	Very high	50 Å²	50	34.5 Å²	34.5	30%	0.303	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.4	179.2	-63.4	0	0	0	0	114.9	I120 R124 I153 L156 H178	I120-V122 HydrophobicContact CG2-CG1 4.28Å; V122-R124 PolarHBondContact O-N 2.87Å; V122-I153 HydrophobicContact CG1-CG2 3.64Å; V122-L156 HydrophobicContact CG1-CB 3.77Å; V122-L156 HydrophobicContact CG1-CD1 4.38Å; V122-L156 HydrophobicContact CG1-CG 4.43Å; V122-H178 PolarHBondContact O-NE2 2.8Å
123	K	95.7	Very high	97.4	Very high	187 Å²	187	34.5 Å²	34.5	81%	0.813	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.7	176.4	-60.7	-177.4	179.9	177.8	0	112.2	N121 P125	N121-K123 PolarHBondContact O-N 2.76Å; N121-K123 WeakPolarHBondContact OD1-CB 3.24Å; N121-K123 PolarHBondContact OD1-N 2.95Å; K123-P125 WeakPolarHBondContact O-CD 3.19Å
124	R	94.3	Very high	97	Very high	115 Å²	115	34.9 Å²	34.9	43%	0.434	18%	0.183	S	C	.	.	S	Bend	trans	-107.2	103.5	176.9	-172.6	-178.8	-80.2	163.2	-7.6	108.7	N121 V122 T126 Q128 H178 H200	N121-R124 PolarHBondContact O-N 2.81Å; N121-R124 VanDerWaalsContact O-N 3.15Å; V122-R124 PolarHBondContact O-N 2.87Å; R124-T126 WeakPolarHBondContact CD-OG1 3.34Å; R124-T126 HydrophobicContact CG-CG2 4.01Å; R124-T126 VanDerWaalsContact CG-OG1 3.3Å; R124-T126 WeakPolarHBondContact CG-OG1 3.46Å; R124-T126 PolarHBondContact O-N 2.84Å; R124-Q128 PolarHBondContact O-NE2 2.84Å; R124-Q128 VanDerWaalsContact O-NE2 3.09Å; R124-H178 PolarHBondContact O-CD2 2.97Å; R124-H178 VanDerWaalsContact O-CD2 3.29Å; R124-H178 PolarHBondContact O-NE2 2.8Å; R124-H200 PolarHBondContact NH1-CD2 2.98Å
125	P	91.9	Very high	96.5	Very high	89 Å²	89	35.5 Å²	35.5	58%	0.578	19%	0.187	S	C	*	.			trans	-78.1	59.5	-177.3	34.8	-37.1	0	0	0	110.9	K123	K123-P125 WeakPolarHBondContact O-CD 3.19Å
126	T	96.6	Very high	96.1	Very high	42 Å²	42	39.1 Å²	39.1	26%	0.258	20%	0.2	S	C	.	.	S	Bend	trans	-136	154.9	179	64.1	0	0	0	0	109.4	R124 Q128 C177 H200	R124-T126 WeakPolarHBondContact CD-OG1 3.34Å; R124-T126 HydrophobicContact CG-CG2 4.01Å; R124-T126 VanDerWaalsContact CG-OG1 3.3Å; R124-T126 WeakPolarHBondContact CG-OG1 3.46Å; R124-T126 PolarHBondContact O-N 2.84Å; T126-Q128 WeakPolarHBondContact O-CG 3.48Å; T126-Q128 PolarHBondContact O-N 2.87Å; T126-Q128 PolarHBondContact O-NE2 3.34Å; T126-C177 CarbonylContact C-O 3.58Å; T126-H200 WeakPolarHBondContact OG1-CB 3.28Å
127	I	98.5	Very high	95.5	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.046	20%	0.201	C	C	.	.			trans	-64	128.1	175.1	-54.9	166.6	0	0	0	109.1	I130 L174 C177 V180 L196 H200 V201	I127-I130 HydrophobicContact CG2-CG1 4.22Å; I127-L174 HydrophobicContact CD1-CD2 3.89Å; I127-C177 WeakPolarHBondContact CA-O 3.14Å; I127-C177 HydrophobicContact CG1-CB 4.15Å; I127-C177 WeakPolarHBondContact CG1-O 3.3Å; I127-C177 PolarHBondContact N-O 3.32Å; I127-C177 VanDerWaalsContact N-O 3.12Å; I127-V180 HydrophobicContact CD1-CG2 3.83Å; I127-V180 HydrophobicContact CG1-CG2 4.12Å; I127-V180 HydrophobicContact CG2-CB 4.36Å; I127-V180 HydrophobicContact CG2-CG2 3.65Å; I127-L196 HydrophobicContact CD1-CD1 4.41Å; I127-L196 HydrophobicContact CD1-CD2 3.68Å; I127-L196 HydrophobicContact CD1-CG 3.6Å; I127-H200 CarbonylContact O-C 3.48Å; I127-H200 VanDerWaalsContact O-C 3.3Å; I127-V201 HydrophobicContact CB-CG2 4.38Å; I127-V201 HydrophobicContact CG2-CG2 3.9Å; I127-V201 PolarHBondContact O-N 3.46Å
128	Q	98.7	Very high	95.1	Very high	18 Å²	18	39.1 Å²	39.1	8%	0.084	20%	0.2	C	C	.	.			trans	-124.2	-24.8	-175.2	-76.3	169.9	72.3	0	0	112.2	I120 N121 R124 T126 H178 V201 R202 Q203	I120-Q128 HydrophobicContact CD1-CB 3.38Å; I120-Q128 HydrophobicContact CD1-CG 4.41Å; N121-Q128 PolarHBondContact O-NE2 3.28Å; R124-Q128 PolarHBondContact O-NE2 2.84Å; R124-Q128 VanDerWaalsContact O-NE2 3.09Å; T126-Q128 WeakPolarHBondContact O-CG 3.48Å; T126-Q128 PolarHBondContact O-N 2.87Å; T126-Q128 PolarHBondContact O-NE2 3.34Å; Q128-H178 PolarHBondContact N-O 3.47Å; Q128-V201 WeakPolarHBondContact O-CA 3.3Å; Q128-R202 PolarHBondContact O-N 3.25Å; Q128-Q203 PolarHBondContact O-N 3.19Å
129	A	98.8	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.2	175.5	0	0	0	0	0	111.7	I116 I120 H178 I179 V180 Q203	I116-A129 HydrophobicContact CD1-CB 4.24Å; I116-A129 HydrophobicContact CG1-CB 4.13Å; I116-A129 HydrophobicContact CG2-CB 3.71Å; I120-A129 HydrophobicContact CD1-CB 4.26Å; A129-H178 PolarHBondContact N-O 3.31Å; A129-I179 HydrophobicContact CB-CG1 4.45Å; A129-I179 HydrophobicContact CB-CG2 4.32Å; A129-V180 PolarHBondContact O-N 2.99Å; A129-Q203 WeakPolarHBondContact CA-O 3.43Å; A129-Q203 HydrophobicContact CB-CB 4.04Å
130	I	98.9	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.8	172.2	-61.2	-177.3	0	0	0	108.7	I127 L132 V180 V187 L196 V201 Q203 F204 V205 L241	I127-I130 HydrophobicContact CG2-CG1 4.22Å; I130-L132 HydrophobicContact CG2-CD2 3.95Å; I130-L132 HydrophobicContact CG2-CG 4.27Å; I130-V180 CarbonylContact C-O 3.3Å; I130-V180 WeakPolarHBondContact CA-O 3.28Å; I130-V180 HydrophobicContact CG1-CB 4.15Å; I130-V180 HydrophobicContact CG1-CG1 4.48Å; I130-V180 HydrophobicContact CG2-CG1 4.24Å; I130-V187 HydrophobicContact CG2-CG1 4.34Å; I130-L196 HydrophobicContact CD1-CD2 4.32Å; I130-V201 HydrophobicContact CD1-CG1 4.29Å; I130-V201 HydrophobicContact CD1-CG2 4.07Å; I130-V201 HydrophobicContact CG1-CG1 4.09Å; I130-V201 HydrophobicContact CG1-CG2 4.16Å; I130-Q203 PolarHBondContact N-O 3.35Å; I130-F204 HydrophobicContact CB-CD2 4.14Å; I130-F204 HydrophobicContact CG2-CD2 4.16Å; I130-F204 HydrophobicContact CG2-CE2 4.17Å; I130-F204 CarbonylContact O-C 3.55Å; I130-F204 WeakPolarHBondContact O-CA 3.49Å; I130-V205 PolarHBondContact O-N 2.97Å; I130-L241 HydrophobicContact CD1-CD2 3.76Å
131	V	98.9	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.8	173	-175.6	0	0	0	0	108.6	F112 I116 I146 V180 V181 G182 V205	F112-V131 HydrophobicContact CD2-CG2 4.45Å; F112-V131 HydrophobicContact CE2-CG1 4.02Å; F112-V131 HydrophobicContact CE2-CG2 4.42Å; F112-V131 HydrophobicContact CZ-CG1 4.21Å; I116-V131 HydrophobicContact CD1-CG2 3.53Å; V131-I146 HydrophobicContact CG2-CD1 4.25Å; V131-V180 PolarHBondContact N-O 2.97Å; V131-V181 HydrophobicContact CB-CB 4.46Å; V131-V181 HydrophobicContact CB-CG1 4.22Å; V131-V181 HydrophobicContact CB-CG2 4.16Å; V131-V181 HydrophobicContact CG1-CG1 4.34Å; V131-V181 HydrophobicContact CG2-CG2 4.32Å; V131-V181 CarbonylContact O-C 3.53Å; V131-V181 WeakPolarHBondContact O-CA 3.34Å; V131-G182 PolarHBondContact O-N 3.29Å; V131-V205 HydrophobicContact CB-CB 4.31Å; V131-V205 HydrophobicContact CG1-CB 4.13Å; V131-V205 HydrophobicContact CG1-CG1 4.15Å; V131-V205 HydrophobicContact CG2-CB 4.06Å; V131-V205 HydrophobicContact CG2-CG2 4.26Å
132	L	98.6	Very high	94	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.2	172.2	-60	-175.1	0	0	0	110.2	I130 G182 P184 V187 F204 V205 L206 D207 L212 I234 I237	I130-L132 HydrophobicContact CG2-CD2 3.95Å; I130-L132 HydrophobicContact CG2-CG 4.27Å; L132-G182 WeakPolarHBondContact CA-O 3.34Å; L132-P184 HydrophobicContact CD1-CG 4.42Å; L132-V187 HydrophobicContact CD2-CB 4.07Å; L132-V187 HydrophobicContact CD2-CG1 4.23Å; L132-V187 HydrophobicContact CD2-CG2 3.84Å; L132-F204 HydrophobicContact CD1-CE2 3.56Å; L132-F204 HydrophobicContact CD1-CZ 3.56Å; L132-F204 HydrophobicContact CG-CE2 3.79Å; L132-F204 HydrophobicContact CG-CZ 4.23Å; L132-V205 PolarHBondContact N-O 3.13Å; L132-L206 HydrophobicContact CB-CD2 4.28Å; L132-L206 HydrophobicContact CD1-CD2 4.18Å; L132-D207 WeakPolarHBondContact O-CB 3.48Å; L132-D207 PolarHBondContact O-N 2.88Å; L132-L212 HydrophobicContact CB-CD1 4.23Å; L132-I234 HydrophobicContact CD1-CG1 3.97Å; L132-I237 HydrophobicContact CD1-CD1 3.73Å; L132-I237 HydrophobicContact CD2-CD1 4.16Å
133	S	95.3	Very high	94	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.			trans	-132	147	172	-52	0	0	0	0	109.7	T135 G182	S133-T135 VanDerWaalsContact C-N 3.33Å; S133-T135 PolarHBondContact O-N 2.86Å; S133-G182 PolarHBondContact N-O 3.34Å
134	P	90.4	Very high	93.8	Very high	8 Å²	8	24.7 Å²	24.7	5%	0.052	12%	0.12	C	C	.	.	S	Bend	trans	-73.9	-25	-171.2	26.9	-34.8	0	0	0	113	I138 D207 E208 L211 L212 F230	P134-I138 HydrophobicContact CG-CD1 3.7Å; P134-D207 WeakPolarHBondContact CD-O 3.44Å; P134-E208 HydrophobicContact CG-CB 3.84Å; P134-L211 HydrophobicContact CB-CB 4.07Å; P134-L211 HydrophobicContact CB-CD2 3.51Å; P134-L211 HydrophobicContact CB-CG 3.71Å; P134-L211 HydrophobicContact CG-CB 4.06Å; P134-L211 HydrophobicContact CG-CD2 3.64Å; P134-L211 HydrophobicContact CG-CG 4.09Å; P134-L212 HydrophobicContact CB-CD2 3.87Å; P134-L212 HydrophobicContact CB-CG 4.11Å; P134-L212 HydrophobicContact CG-CG 4.39Å; P134-F230 HydrophobicContact CB-CE2 3.98Å; P134-F230 WeakPolarHBondContact O-CZ 3.5Å
135	T	87.8	Confident	93.8	Very high	13 Å²	13	19.7 Å²	19.7	8%	0.08	10%	0.102	C	C	.	.	S	Bend	trans	-122.8	155.5	178	78	0	0	0	0	111	S133 E137 I138 A139 R381	S133-T135 VanDerWaalsContact C-N 3.33Å; S133-T135 PolarHBondContact O-N 2.86Å; T135-E137 PolarHBondContact O-N 3.38Å; T135-I138 HydrophobicContact CG2-CD1 4.22Å; T135-I138 PolarHBondContact O-N 2.9Å; T135-I138 WeakPolarHBondContact OG1-CD1 3.37Å; T135-I138 VanDerWaalsContact OG1-CG1 3.25Å; T135-I138 WeakPolarHBondContact OG1-CG1 3.34Å; T135-I138 PolarHBondContact OG1-N 3.49Å; T135-A139 PolarHBondContact O-N 3.09Å; T135-A139 VanDerWaalsContact O-N 3.1Å; T135-R381 PolarHBondContact OG1-O 3.4Å
136	R	89.1	Confident	94.1	Very high	79 Å²	79	15.5 Å²	15.5	30%	0.298	8%	0.075	S	C	.	.	H	α-helix	trans	-66.4	-32	-178	-53.1	174	-178.7	169.4	-2.5	111	F140 V162 G163 T183	R136-F140 WeakPolarHBondContact O-CB 3.4Å; R136-F140 PolarHBondContact O-N 3.41Å; R136-V162 HydrophobicContact CB-CB 4.09Å; R136-V162 HydrophobicContact CB-CG1 4.06Å; R136-V162 HydrophobicContact CB-CG2 4.34Å; R136-V162 HydrophobicContact CG-CB 3.91Å; R136-V162 HydrophobicContact CG-CG1 4.2Å; R136-V162 HydrophobicContact CG-CG2 4.48Å; R136-G163 WeakPolarHBondContact CD-O 3.39Å; R136-G163 PolarHBondContact NE-O 2.8Å; R136-G163 PolarHBondContact NH1-O 2.72Å; R136-T183 HydrophobicContact CG-CG2 3.99Å
137	E	86.6	Confident	94.2	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-71.7	-40	178.7	-63.7	71.4	-153.3	0	0	112.2	T135 F140 Q141 Q355 R358 G382	T135-E137 PolarHBondContact O-N 3.38Å; E137-F140 PolarHBondContact O-N 3.07Å; E137-Q141 WeakPolarHBondContact O-CG 3.26Å; E137-Q141 PolarHBondContact O-N 3.41Å; E137-Q141 VanDerWaalsContact O-N 3.07Å; E137-Q141 PolarHBondContact O-NE2 3.29Å; E137-Q355 PolarHBondContact OE1-NE2 3.37Å; E137-R358 IonicContact OE1-CZ 2.74Å; E137-R358 VanDerWaalsContact OE1-CZ 3.23Å; E137-R358 IonicContact OE1-NE 3.92Å; E137-R358 PolarHBondContact OE1-NE 2.92Å; E137-R358 IonicContact OE1-NH2 3.55Å; E137-R358 PolarHBondContact OE1-NH2 3.28Å; E137-R358 IonicContact OE2-NH2 2.63Å; E137-R358 PolarHBondContact OE2-NH2 2.76Å; E137-G382 WeakPolarHBondContact CB-O 3.38Å
138	I	89.4	Confident	94	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-48	172.5	-62.2	164.4	0	0	0	109.7	P134 T135 F140 Q141 S142 D207 E208 R381	P134-I138 HydrophobicContact CG-CD1 3.7Å; T135-I138 HydrophobicContact CG2-CD1 4.22Å; T135-I138 PolarHBondContact O-N 2.9Å; T135-I138 WeakPolarHBondContact OG1-CD1 3.37Å; T135-I138 VanDerWaalsContact OG1-CG1 3.25Å; T135-I138 WeakPolarHBondContact OG1-CG1 3.34Å; T135-I138 PolarHBondContact OG1-N 3.49Å; I138-F140 VanDerWaalsContact C-N 3.28Å; I138-F140 PolarHBondContact O-N 3.28Å; I138-Q141 WeakPolarHBondContact O-CB 3.23Å; I138-Q141 PolarHBondContact O-N 2.99Å; I138-Q141 VanDerWaalsContact O-N 3.08Å; I138-S142 PolarHBondContact O-N 2.89Å; I138-S142 PolarHBondContact O-OG 3.07Å; I138-D207 WeakPolarHBondContact CG2-OD2 3.46Å; I138-E208 HydrophobicContact CD1-CG 3.94Å; I138-R381 HydrophobicContact CD1-CB 4.1Å
139	A	93.9	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.1	-44.2	179.3	0	0	0	0	0	111.4	T135 Q141 S142 Q143 L160 V162 V181	T135-A139 PolarHBondContact O-N 3.09Å; T135-A139 VanDerWaalsContact O-N 3.1Å; A139-Q141 PolarHBondContact O-N 3.4Å; A139-S142 PolarHBondContact O-N 3.49Å; A139-Q143 WeakPolarHBondContact O-CB 3.26Å; A139-Q143 PolarHBondContact O-N 3.46Å; A139-L160 VanDerWaalsContact C-CD1 3.46Å; A139-L160 HydrophobicContact CB-CD1 3.52Å; A139-V162 HydrophobicContact CB-CG1 4.03Å; A139-V181 HydrophobicContact CB-CG1 4.14Å; A139-V181 WeakPolarHBondContact O-CG1 3.46Å
140	F	91.9	Very high	93.8	Very high	39 Å²	39	21.2 Å²	21.2	17%	0.171	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-42.2	175.9	-179.6	-117.1	0	0	0	112.4	R136 E137 I138 Q143 M144 L160 F359 F362	R136-F140 WeakPolarHBondContact O-CB 3.4Å; R136-F140 PolarHBondContact O-N 3.41Å; E137-F140 PolarHBondContact O-N 3.07Å; I138-F140 VanDerWaalsContact C-N 3.28Å; I138-F140 PolarHBondContact O-N 3.28Å; F140-Q143 PolarHBondContact O-N 3.15Å; F140-M144 HydrophobicContact CD1-SD 4.05Å; F140-M144 HydrophobicContact CE1-CG 4.39Å; F140-M144 HydrophobicContact CE1-SD 3.48Å; F140-M144 WeakPolarHBondContact CE1-SD 3.19Å; F140-M144 HydrophobicContact CE2-CG 4.27Å; F140-M144 HydrophobicContact CE2-SD 4.31Å; F140-M144 HydrophobicContact CZ-CG 4.18Å; F140-M144 HydrophobicContact CZ-SD 3.64Å; F140-M144 WeakPolarHBondContact O-CG 3.33Å; F140-M144 PolarHBondContact O-N 3.37Å; F140-L160 HydrophobicContact CB-CD2 4.03Å; F140-L160 HydrophobicContact CD2-CD2 3.95Å; F140-L160 HydrophobicContact CG-CD2 4.44Å; F140-F359 HydrophobicContact CB-CE1 3.85Å; F140-F359 HydrophobicContact CB-CZ 4.08Å; F140-F359 HydrophobicContact CD1-CD1 4.29Å; F140-F359 HydrophobicContact CD1-CE1 4.28Å; F140-F359 HydrophobicContact CG-CD1 4.47Å; F140-F359 HydrophobicContact CG-CE1 4.06Å; F140-F359 HydrophobicContact CG-CZ 4.3Å; F140-F362 HydrophobicContact CD1-CD1 4.37Å; F140-F362 HydrophobicContact CD1-CE1 4.35Å; F140-F362 HydrophobicContact CE1-CD1 4.42Å
141	Q	88.2	Confident	93.8	Very high	17 Å²	17	24.1 Å²	24.1	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-64.7	-44.3	176	-74.5	156	26.2	0	0	112.7	E137 I138 A139 Q143 M144 V145 F362 G382 D384	E137-Q141 WeakPolarHBondContact O-CG 3.26Å; E137-Q141 PolarHBondContact O-N 3.41Å; E137-Q141 VanDerWaalsContact O-N 3.07Å; E137-Q141 PolarHBondContact O-NE2 3.29Å; I138-Q141 WeakPolarHBondContact O-CB 3.23Å; I138-Q141 PolarHBondContact O-N 2.99Å; I138-Q141 VanDerWaalsContact O-N 3.08Å; A139-Q141 PolarHBondContact O-N 3.4Å; Q141-Q143 VanDerWaalsContact C-N 3.32Å; Q141-Q143 PolarHBondContact O-N 3.19Å; Q141-M144 PolarHBondContact O-N 3.5Å; Q141-V145 WeakPolarHBondContact O-CG2 3.49Å; Q141-V145 PolarHBondContact O-N 3.16Å; Q141-F362 HydrophobicContact CG-CE1 4.11Å; Q141-F362 HydrophobicContact CG-CZ 3.89Å; Q141-F362 VanDerWaalsContact NE2-CE2 3.28Å; Q141-G382 PolarHBondContact NE2-O 3.02Å; Q141-G382 PolarHBondContact OE1-O 3.13Å; Q141-D384 HydrophobicContact CG-CB 3.75Å
142	S	94.3	Very high	93.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-41.7	178.8	-66.8	0	0	0	0	111	I138 A139 V145 I146 D207	I138-S142 PolarHBondContact O-N 2.89Å; I138-S142 PolarHBondContact O-OG 3.07Å; A139-S142 PolarHBondContact O-N 3.49Å; S142-V145 PolarHBondContact O-N 3.47Å; S142-I146 WeakPolarHBondContact O-CD1 3.32Å; S142-I146 VanDerWaalsContact O-CG1 3.25Å; S142-I146 WeakPolarHBondContact O-CG1 3.14Å; S142-I146 PolarHBondContact O-N 2.89Å; S142-D207 PolarHBondContact OG-OD2 3.3Å; S142-D207 VanDerWaalsContact OG-OD2 3.07Å
143	Q	96.1	Very high	93.7	Very high	22 Å²	22	29 Å²	29	10%	0.103	14%	0.139	C	C	.	.	H	α-helix	trans	-58.6	-50.2	171.2	-177.6	-137.2	-10.7	0	0	111.4	A139 F140 Q141 V145 I146 E147 V181	A139-Q143 WeakPolarHBondContact O-CB 3.26Å; A139-Q143 PolarHBondContact O-N 3.46Å; F140-Q143 PolarHBondContact O-N 3.15Å; Q141-Q143 VanDerWaalsContact C-N 3.32Å; Q141-Q143 PolarHBondContact O-N 3.19Å; Q143-V145 VanDerWaalsContact C-N 3.32Å; Q143-V145 PolarHBondContact O-N 3.2Å; Q143-I146 PolarHBondContact O-N 3.27Å; Q143-E147 HydrophobicContact CG-CG 4.39Å; Q143-E147 VanDerWaalsContact NE2-CD 3.26Å; Q143-E147 PolarHBondContact NE2-OE1 3.21Å; Q143-E147 PolarHBondContact NE2-OE2 3.14Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 2.85Å; Q143-V181 HydrophobicContact CB-CB 4.19Å; Q143-V181 HydrophobicContact CB-CG1 4.35Å; Q143-V181 HydrophobicContact CB-CG2 4.26Å
144	M	92.8	Very high	93.8	Very high	58 Å²	58	34.1 Å²	34.1	29%	0.286	18%	0.176	S	C	.	.	H	α-helix	trans	-58.6	-42	-180	-73.6	-177.1	71.7	0	0	112.7	F140 Q141 R148	F140-M144 HydrophobicContact CD1-SD 4.05Å; F140-M144 HydrophobicContact CE1-CG 4.39Å; F140-M144 HydrophobicContact CE1-SD 3.48Å; F140-M144 WeakPolarHBondContact CE1-SD 3.19Å; F140-M144 HydrophobicContact CE2-CG 4.27Å; F140-M144 HydrophobicContact CE2-SD 4.31Å; F140-M144 HydrophobicContact CZ-CG 4.18Å; F140-M144 HydrophobicContact CZ-SD 3.64Å; F140-M144 WeakPolarHBondContact O-CG 3.33Å; F140-M144 PolarHBondContact O-N 3.37Å; Q141-M144 PolarHBondContact O-N 3.5Å; M144-R148 VanDerWaalsContact O-CB 3.29Å; M144-R148 WeakPolarHBondContact O-CB 3.45Å; M144-R148 PolarHBondContact O-N 3.24Å
145	V	94	Very high	94	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-46.2	177.3	172.7	0	0	0	0	110.3	L28 T109 V110 A113 Q141 S142 Q143 E147 R148 L149	L28-V145 HydrophobicContact CD1-CG2 4.28Å; L28-V145 HydrophobicContact CD2-CG2 4.06Å; T109-V145 HydrophobicContact CG2-CB 3.68Å; T109-V145 HydrophobicContact CG2-CG1 3.75Å; T109-V145 HydrophobicContact CG2-CG2 3.9Å; V110-V145 HydrophobicContact CG2-CG1 4.4Å; A113-V145 HydrophobicContact CB-CG1 4.4Å; Q141-V145 WeakPolarHBondContact O-CG2 3.49Å; Q141-V145 PolarHBondContact O-N 3.16Å; S142-V145 PolarHBondContact O-N 3.47Å; Q143-V145 VanDerWaalsContact C-N 3.32Å; Q143-V145 PolarHBondContact O-N 3.2Å; V145-E147 PolarHBondContact O-N 2.89Å; V145-R148 PolarHBondContact O-N 3.45Å; V145-L149 HydrophobicContact CG1-CD1 4.1Å; V145-L149 HydrophobicContact CG1-CG 4.38Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.3Å
146	I	97.9	Very high	94.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-49.9	177.7	-70.2	164.7	0	0	0	110.8	F112 A113 L117 V131 S142 Q143 R148 L149 A150 C158 I179 V181	F112-I146 HydrophobicContact CE2-CD1 4.07Å; F112-I146 HydrophobicContact CE2-CG1 4.49Å; A113-I146 HydrophobicContact CB-CG1 3.7Å; L117-I146 HydrophobicContact CD2-CG2 4.18Å; V131-I146 HydrophobicContact CG2-CD1 4.25Å; S142-I146 WeakPolarHBondContact O-CD1 3.32Å; S142-I146 VanDerWaalsContact O-CG1 3.25Å; S142-I146 WeakPolarHBondContact O-CG1 3.14Å; S142-I146 PolarHBondContact O-N 2.89Å; Q143-I146 PolarHBondContact O-N 3.27Å; I146-R148 VanDerWaalsContact C-N 3.3Å; I146-R148 PolarHBondContact O-N 3.22Å; I146-L149 PolarHBondContact O-N 2.88Å; I146-A150 VanDerWaalsContact O-CB 3.23Å; I146-A150 WeakPolarHBondContact O-CB 3.34Å; I146-A150 PolarHBondContact O-N 3.41Å; I146-C158 HydrophobicContact CG2-CB 4.12Å; I146-I179 HydrophobicContact CD1-CG2 4.31Å; I146-I179 HydrophobicContact CG2-CD1 3.66Å; I146-V181 HydrophobicContact CD1-CG2 3.83Å
147	E	97.3	Very high	94.9	Very high	82 Å²	82	36.9 Å²	36.9	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-61.1	-39.8	179.5	-73.9	179.8	161	0	0	112.3	Q143 V145 A150 S151 C158	Q143-E147 HydrophobicContact CG-CG 4.39Å; Q143-E147 VanDerWaalsContact NE2-CD 3.26Å; Q143-E147 PolarHBondContact NE2-OE1 3.21Å; Q143-E147 PolarHBondContact NE2-OE2 3.14Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 2.85Å; V145-E147 PolarHBondContact O-N 2.89Å; E147-A150 CarbonylContact O-C 3.59Å; E147-A150 PolarHBondContact O-N 3.25Å; E147-S151 PolarHBondContact O-N 3.33Å; E147-C158 HydrophobicContact CG-CB 4Å; E147-C158 VanDerWaalsContact OE1-O 3.12Å
148	R	94.8	Very high	95.5	Very high	98 Å²	98	36.9 Å²	36.9	37%	0.37	20%	0.204	S	C	.	.	H	α-helix	trans	-65.2	-44.6	178.4	-174.4	66.8	179.4	174.3	2.2	111.5	D75 A76 M144 V145 I146 A150 S151	D75-R148 PolarHBondContact O-NH2 3.21Å; A76-R148 HydrophobicContact CB-CG 3.69Å; M144-R148 VanDerWaalsContact O-CB 3.29Å; M144-R148 WeakPolarHBondContact O-CB 3.45Å; M144-R148 PolarHBondContact O-N 3.24Å; V145-R148 PolarHBondContact O-N 3.45Å; I146-R148 VanDerWaalsContact C-N 3.3Å; I146-R148 PolarHBondContact O-N 3.22Å; R148-A150 PolarHBondContact O-N 3.18Å; R148-S151 WeakPolarHBondContact O-CB 3.34Å; R148-S151 PolarHBondContact O-N 3.25Å; R148-S151 PolarHBondContact O-OG 3.47Å
149	L	96.9	Very high	95.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-71	-22.8	177.2	-62.7	-174.1	0	0	0	112.6	L73 A76 F78 V110 A113 V114 L117 V145 I146 S151	L73-L149 HydrophobicContact CB-CD2 4.45Å; L73-L149 HydrophobicContact CD2-CD1 4.11Å; L73-L149 HydrophobicContact CD2-CD2 3.6Å; L73-L149 HydrophobicContact CD2-CG 4.48Å; L73-L149 HydrophobicContact CG-CD2 3.95Å; A76-L149 HydrophobicContact CB-CD2 4.21Å; F78-L149 HydrophobicContact CD2-CD2 3.89Å; F78-L149 HydrophobicContact CE2-CD2 3.95Å; V110-L149 HydrophobicContact CG1-CD1 4.11Å; A113-L149 HydrophobicContact CB-CD1 3.89Å; V114-L149 HydrophobicContact CG2-CD1 4.24Å; L117-L149 HydrophobicContact CD1-CB 3.6Å; V145-L149 HydrophobicContact CG1-CD1 4.1Å; V145-L149 HydrophobicContact CG1-CG 4.38Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.3Å; I146-L149 PolarHBondContact O-N 2.88Å; L149-S151 VanDerWaalsContact C-N 3.34Å
150	A	97.8	Very high	96.1	Very high	9 Å²	9	39 Å²	39	7%	0.074	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	7.4	175.9	0	0	0	0	0	114.1	L117 I146 E147 R148 H152 I153 L156	L117-A150 HydrophobicContact CD1-CB 4.04Å; L117-A150 HydrophobicContact CD2-CB 3.71Å; I146-A150 VanDerWaalsContact O-CB 3.23Å; I146-A150 WeakPolarHBondContact O-CB 3.34Å; I146-A150 PolarHBondContact O-N 3.41Å; E147-A150 CarbonylContact O-C 3.59Å; E147-A150 PolarHBondContact O-N 3.25Å; R148-A150 PolarHBondContact O-N 3.18Å; A150-H152 PolarHBondContact O-N 2.86Å; A150-I153 HydrophobicContact CB-CD1 4.28Å; A150-I153 PolarHBondContact O-N 3.31Å; A150-L156 HydrophobicContact CB-CD1 4.32Å; A150-L156 HydrophobicContact CB-CD2 3.8Å
151	S	97.2	Very high	96.4	Very high	61 Å²	61	37.1 Å²	37.1	43%	0.427	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.5	-173.4	59.8	0	0	0	0	114.5	E147 R148 L149	E147-S151 PolarHBondContact O-N 3.33Å; R148-S151 WeakPolarHBondContact O-CB 3.34Å; R148-S151 PolarHBondContact O-N 3.25Å; R148-S151 PolarHBondContact O-OG 3.47Å; L149-S151 VanDerWaalsContact C-N 3.34Å
152	H	97.8	Very high	96.7	Very high	73 Å²	73	36.3 Å²	36.3	34%	0.338	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	2.5	177.4	-67.3	-90	0	0	0	114	P68 H71 G72 D75 A150 S154	P68-H152 HydrophobicContact CB-CB 4.08Å; H71-H152 HydrophobicContact CB-CB 4.28Å; H71-H152 VanDerWaalsContact CB-CD2 3.45Å; H71-H152 WeakPolarHBondContact CB-CD2 3.5Å; G72-H152 PolarHBondContact N-CD2 3.48Å; D75-H152 IonicContact OD1-NE2 3.61Å; D75-H152 IonicContact OD2-CD2 3.64Å; D75-H152 IonicContact OD2-CE1 2.72Å; D75-H152 IonicContact OD2-NE2 3.99Å; D75-H152 PolarHBondContact OD2-NE2 2.85Å; A150-H152 PolarHBondContact O-N 2.86Å; H152-S154 PolarHBondContact O-N 3.02Å
153	I	98	Very high	96.6	Very high	28 Å²	28	37.1 Å²	37.1	14%	0.144	21%	0.21	C	C	.	.	S	Bend	trans	-95.9	86.7	177.2	-54.2	174.3	0	0	0	108.9	P68 V69 L117 V122 A150 G155 L156	P68-I153 HydrophobicContact CB-CG1 3.64Å; V69-I153 HydrophobicContact CG2-CD1 3.87Å; L117-I153 HydrophobicContact CB-CD1 3.98Å; L117-I153 HydrophobicContact CD1-CD1 4.41Å; L117-I153 HydrophobicContact CD2-CD1 4.02Å; L117-I153 HydrophobicContact CG-CD1 4.35Å; V122-I153 HydrophobicContact CG1-CG2 3.64Å; A150-I153 HydrophobicContact CB-CD1 4.28Å; A150-I153 PolarHBondContact O-N 3.31Å; I153-G155 PolarHBondContact O-N 2.95Å; I153-L156 HydrophobicContact CB-CB 4.18Å; I153-L156 HydrophobicContact CB-CD1 4.33Å; I153-L156 HydrophobicContact CD1-CD1 4.18Å; I153-L156 HydrophobicContact CG2-CB 3.84Å; I153-L156 HydrophobicContact CG2-CD1 3.91Å; I153-L156 WeakPolarHBondContact O-CB 3.35Å; I153-L156 PolarHBondContact O-N 3.27Å
154	S	96.7	Very high	96.3	Very high	109 Å²	109	38.9 Å²	38.9	76%	0.762	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	125.7	-179.3	-63	0	0	0	0	112.8	H152	H152-S154 PolarHBondContact O-N 3.02Å
155	G	95.7	Very high	96.3	Very high	51 Å²	51	38.5 Å²	38.5	53%	0.526	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-6.7	175.5	0	0	0	0	0	115.4	I153 H178	I153-G155 PolarHBondContact O-N 2.95Å; G155-H178 PolarHBondContact O-CE1 2.93Å; G155-H178 VanDerWaalsContact O-CE1 3.3Å
156	L	98.2	Very high	96.3	Very high	26 Å²	26	41.6 Å²	41.6	14%	0.136	25%	0.253	C	S	.	.			trans	-66.6	137.2	173.7	-172.4	147.1	0	0	0	110.6	L117 I120 V122 A150 I153 C158 I179	L117-L156 HydrophobicContact CD2-CD1 3.53Å; L117-L156 HydrophobicContact CD2-CD2 4.35Å; I120-L156 HydrophobicContact CB-CD1 4.32Å; I120-L156 HydrophobicContact CG2-CD1 3.8Å; I120-L156 HydrophobicContact CG2-CG 4.47Å; V122-L156 HydrophobicContact CG1-CB 3.77Å; V122-L156 HydrophobicContact CG1-CD1 4.38Å; V122-L156 HydrophobicContact CG1-CG 4.43Å; A150-L156 HydrophobicContact CB-CD1 4.32Å; A150-L156 HydrophobicContact CB-CD2 3.8Å; I153-L156 HydrophobicContact CB-CB 4.18Å; I153-L156 HydrophobicContact CB-CD1 4.33Å; I153-L156 HydrophobicContact CD1-CD1 4.18Å; I153-L156 HydrophobicContact CG2-CB 3.84Å; I153-L156 HydrophobicContact CG2-CD1 3.91Å; I153-L156 WeakPolarHBondContact O-CB 3.35Å; I153-L156 PolarHBondContact O-N 3.27Å; L156-C158 HydrophobicContact CD2-CB 4.4Å; L156-I179 HydrophobicContact CD1-CD1 4.29Å; L156-I179 HydrophobicContact CD2-CD1 4.01Å; L156-I179 HydrophobicContact CG-CD1 4.49Å
157	K	97.7	Very high	96.2	Very high	80 Å²	80	43.9 Å²	43.9	35%	0.348	27%	0.266	S	S	.	.			trans	-130.1	121.6	178.4	-62.2	-177.5	-178	171.1	0	111	D176 H178 I179	K157-D176 WeakPolarHBondContact CB-O 3.32Å; K157-D176 HydrophobicContact CD-CB 3.75Å; K157-D176 WeakPolarHBondContact CD-O 3.23Å; K157-D176 VanDerWaalsContact CD-OD2 3.31Å; K157-D176 WeakPolarHBondContact CD-OD2 3.33Å; K157-D176 WeakPolarHBondContact CE-OD2 3.49Å; K157-D176 VanDerWaalsContact NZ-CG 3.3Å; K157-D176 IonicContact NZ-OD2 3.29Å; K157-D176 PolarHBondContact NZ-OD2 3.22Å; K157-H178 PolarHBondContact N-ND1 2.89Å; K157-H178 VanDerWaalsContact N-ND1 3.19Å; K157-H178 WeakPolarHBondContact O-CB 3.42Å; K157-H178 PolarHBondContact O-N 2.54Å; K157-I179 PolarHBondContact O-N 3.39Å; K157-I179 VanDerWaalsContact O-N 3.13Å
158	C	98.3	Very high	96.1	Very high	3 Å²	3	43 Å²	43	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.1	176.8	178.8	0	0	0	0	108	I146 E147 L156 I179	I146-C158 HydrophobicContact CG2-CB 4.12Å; E147-C158 HydrophobicContact CG-CB 4Å; E147-C158 VanDerWaalsContact OE1-O 3.12Å; L156-C158 HydrophobicContact CD2-CB 4.4Å; C158-I179 WeakPolarHBondContact CA-O 3.29Å; C158-I179 HydrophobicContact CB-CB 4.05Å
159	H	98	Very high	96.1	Very high	31 Å²	31	40.8 Å²	40.8	14%	0.144	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.1	-176.1	-69.7	-64.2	0	0	0	112.5	F161 H173 D176 I179 V181	H159-F161 HydrophobicContact CB-CD2 4.44Å; H159-F161 HydrophobicContact CB-CE2 3.55Å; H159-F161 HydrophobicContact CB-CZ 3.75Å; H159-F161 VanDerWaalsContact O-CD2 3.27Å; H159-F161 WeakPolarHBondContact O-CD2 3.45Å; H159-F161 WeakPolarHBondContact O-CE2 3.48Å; H159-H173 HydrophobicContact CB-CB 3.93Å; H159-H173 AromaticContact CE1-CD2 3.42Å; H159-H173 PolarHBondContact CE1-CD2 3.14Å; H159-H173 VanDerWaalsContact CE1-CD2 3.42Å; H159-H173 AromaticContact CE1-CG 3.85Å; H159-H173 AromaticContact CG-CG 3.76Å; H159-H173 AromaticContact ND1-CD2 3.49Å; H159-H173 PolarHBondContact ND1-CD2 2.92Å; H159-H173 AromaticContact ND1-CG 3.52Å; H159-D176 IonicContact NE2-OD1 2.66Å; H159-I179 PolarHBondContact N-O 2.86Å; H159-V181 PolarHBondContact O-N 2.62Å
160	L	97.6	Very high	96.1	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.099	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.4	179	-177.2	71.5	0	0	0	111.3	A139 F140 V162 V181 F359	A139-L160 VanDerWaalsContact C-CD1 3.46Å; A139-L160 HydrophobicContact CB-CD1 3.52Å; F140-L160 HydrophobicContact CB-CD2 4.03Å; F140-L160 HydrophobicContact CD2-CD2 3.95Å; F140-L160 HydrophobicContact CG-CD2 4.44Å; L160-V162 HydrophobicContact CD1-CG1 3.73Å; L160-V162 HydrophobicContact CD2-CG1 4.34Å; L160-V162 HydrophobicContact CD2-CG2 3.91Å; L160-V162 HydrophobicContact CG-CG1 3.93Å; L160-V162 HydrophobicContact CG-CG2 4.1Å; L160-V181 CarbonylContact C-O 3.56Å; L160-V181 VanDerWaalsContact CA-O 3.26Å; L160-V181 WeakPolarHBondContact CA-O 3.39Å; L160-F359 HydrophobicContact CD2-CE2 4.33Å; L160-F359 HydrophobicContact CD2-CZ 4Å
161	F	98.1	Very high	96	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	96.4	179.3	-60.7	-86.1	0	0	0	110.7	H159 D170 H173 L174 V180 V181 G182 T183 R186 V187 L190	H159-F161 HydrophobicContact CB-CD2 4.44Å; H159-F161 HydrophobicContact CB-CE2 3.55Å; H159-F161 HydrophobicContact CB-CZ 3.75Å; H159-F161 VanDerWaalsContact O-CD2 3.27Å; H159-F161 WeakPolarHBondContact O-CD2 3.45Å; H159-F161 WeakPolarHBondContact O-CE2 3.48Å; F161-D170 HydrophobicContact CD1-CB 3.78Å; F161-D170 HydrophobicContact CE1-CB 3.88Å; F161-H173 HydrophobicContact CE1-CB 4.42Å; F161-H173 HydrophobicContact CZ-CB 4.21Å; F161-L174 HydrophobicContact CE1-CD2 3.84Å; F161-L174 HydrophobicContact CE1-CG 3.79Å; F161-L174 HydrophobicContact CZ-CD2 3.82Å; F161-L174 HydrophobicContact CZ-CG 4.1Å; F161-V180 HydrophobicContact CD2-CB 4.17Å; F161-V180 HydrophobicContact CD2-CG1 3.67Å; F161-V180 HydrophobicContact CD2-CG2 4.14Å; F161-V180 HydrophobicContact CE2-CB 4.15Å; F161-V180 HydrophobicContact CE2-CG1 4.12Å; F161-V180 HydrophobicContact CE2-CG2 3.72Å; F161-V180 HydrophobicContact CG-CG1 4.43Å; F161-V180 HydrophobicContact CZ-CG2 4.44Å; F161-V181 PolarHBondContact N-O 3.27Å; F161-G182 WeakPolarHBondContact O-CA 3.3Å; F161-T183 PolarHBondContact O-N 3.46Å; F161-T183 VanDerWaalsContact O-N 3.15Å; F161-R186 HydrophobicContact CB-CG 4.08Å; F161-V187 HydrophobicContact CB-CG2 4.44Å; F161-L190 HydrophobicContact CB-CD1 4.2Å; F161-L190 HydrophobicContact CD1-CD1 3.48Å; F161-L190 VanDerWaalsContact CD1-CD1 3.48Å; F161-L190 HydrophobicContact CE1-CD1 4.18Å; F161-L190 HydrophobicContact CG-CD1 4.1Å
162	V	95.9	Very high	96	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.29	C	S	.	.			trans	-134.4	151.6	-175.2	-65.2	0	0	0	0	113.4	R136 A139 L160 L165 T183 R186	R136-V162 HydrophobicContact CB-CB 4.09Å; R136-V162 HydrophobicContact CB-CG1 4.06Å; R136-V162 HydrophobicContact CB-CG2 4.34Å; R136-V162 HydrophobicContact CG-CB 3.91Å; R136-V162 HydrophobicContact CG-CG1 4.2Å; R136-V162 HydrophobicContact CG-CG2 4.48Å; A139-V162 HydrophobicContact CB-CG1 4.03Å; L160-V162 HydrophobicContact CD1-CG1 3.73Å; L160-V162 HydrophobicContact CD2-CG1 4.34Å; L160-V162 HydrophobicContact CD2-CG2 3.91Å; L160-V162 HydrophobicContact CG-CG1 3.93Å; L160-V162 HydrophobicContact CG-CG2 4.1Å; V162-L165 HydrophobicContact CG2-CD1 3.46Å; V162-L165 VanDerWaalsContact CG2-CD1 3.46Å; V162-L165 HydrophobicContact CG2-CG 3.9Å; V162-T183 HydrophobicContact CG1-CG2 4.01Å; V162-R186 VanDerWaalsContact O-CZ 3.26Å; V162-R186 PolarHBondContact O-NE 3.17Å; V162-R186 PolarHBondContact O-NH2 2.9Å
163	G	91.7	Very high	95.9	Very high	18 Å²	18	48 Å²	48	19%	0.186	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	153.1	172	0	0	0	0	0	112.8	R136 L165	R136-G163 WeakPolarHBondContact CD-O 3.39Å; R136-G163 PolarHBondContact NE-O 2.8Å; R136-G163 PolarHBondContact NH1-O 2.72Å; G163-L165 VanDerWaalsContact C-N 3.26Å; G163-L165 PolarHBondContact O-N 2.97Å
164	G	89.9	Confident	95.8	Very high	59 Å²	59	47.8 Å²	47.8	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-6.2	177.7	0	0	0	0	0	115.6
165	L	91.9	Very high	95.5	Very high	49 Å²	49	47 Å²	47	26%	0.257	28%	0.281	S	S	.	.	S	Bend	trans	-98.8	153.8	168	-60.3	-178.5	0	0	0	111.5	V162 G163 L167 R186 Q355 F359	V162-L165 HydrophobicContact CG2-CD1 3.46Å; V162-L165 VanDerWaalsContact CG2-CD1 3.46Å; V162-L165 HydrophobicContact CG2-CG 3.9Å; G163-L165 VanDerWaalsContact C-N 3.26Å; G163-L165 PolarHBondContact O-N 2.97Å; L165-L167 PolarHBondContact O-N 3.05Å; L165-R186 PolarHBondContact O-NH1 3.37Å; L165-R186 PolarHBondContact O-NH2 2.9Å; L165-Q355 HydrophobicContact CD2-CB 4.18Å; L165-Q355 HydrophobicContact CD2-CG 4.08Å; L165-Q355 HydrophobicContact CG-CG 4.38Å; L165-F359 HydrophobicContact CD1-CE2 4.24Å; L165-F359 HydrophobicContact CD2-CE2 4.47Å
166	P	93.9	Very high	95.2	Very high	76 Å²	76	46.6 Å²	46.6	49%	0.494	27%	0.267	S	S	.	.			trans	-59.5	130.7	180	-23.5	34.6	0	0	0	112.9	A168 D169	P166-A168 PolarHBondContact O-N 3.39Å; P166-D169 PolarHBondContact O-N 2.66Å
167	L	95.7	Very high	95.2	Very high	49 Å²	49	45.4 Å²	45.4	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-32.4	176	179.1	62.5	0	0	0	112.7	L165 D169 D170 L171 Y189 L190	L165-L167 PolarHBondContact O-N 3.05Å; L167-D169 PolarHBondContact O-N 2.9Å; L167-D170 HydrophobicContact CD1-CB 4.36Å; L167-D170 WeakPolarHBondContact O-CB 3.41Å; L167-D170 PolarHBondContact O-N 3.01Å; L167-D170 VanDerWaalsContact O-N 3.13Å; L167-L171 HydrophobicContact CD1-CD2 4.48Å; L167-L171 HydrophobicContact CG-CD1 4.45Å; L167-L171 HydrophobicContact CG-CG 4.31Å; L167-L171 WeakPolarHBondContact O-CG 3.48Å; L167-L171 PolarHBondContact O-N 3.4Å; L167-L171 VanDerWaalsContact O-N 3.09Å; L167-Y189 HydrophobicContact CD1-CD1 4.43Å; L167-Y189 HydrophobicContact CD1-CE1 3.81Å; L167-Y189 HydrophobicContact CD2-CE1 3.9Å; L167-L190 HydrophobicContact CD1-CD2 3.57Å
168	A	96.1	Very high	95.3	Very high	62 Å²	62	41.9 Å²	41.9	51%	0.512	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-30.4	-180	0	0	0	0	0	113.1	P166 R172	P166-A168 PolarHBondContact O-N 3.39Å; A168-R172 WeakPolarHBondContact O-CG 3.36Å; A168-R172 PolarHBondContact O-N 2.95Å
169	D	94.9	Very high	95.3	Very high	53 Å²	53	41.7 Å²	41.7	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-72.1	-43.3	176.7	-63.7	-24.2	0	0	0	110.7	P166 L167 L171 R172 H173	P166-D169 PolarHBondContact O-N 2.66Å; L167-D169 PolarHBondContact O-N 2.9Å; D169-L171 VanDerWaalsContact C-N 3.31Å; D169-L171 PolarHBondContact O-N 3.35Å; D169-R172 PolarHBondContact O-N 2.8Å; D169-R172 IonicContact OD1-CZ 2.83Å; D169-R172 IonicContact OD1-NE 3.59Å; D169-R172 IonicContact OD1-NH2 3.05Å; D169-R172 PolarHBondContact OD1-NH2 3.06Å; D169-H173 VanDerWaalsContact O-CG 3.31Å; D169-H173 PolarHBondContact O-N 3.29Å; D169-H173 VanDerWaalsContact O-N 3.1Å; D169-H173 PolarHBondContact O-ND1 3.25Å; D169-H173 VanDerWaalsContact O-ND1 3.09Å
170	D	97.1	Very high	95.3	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-56.1	-46.7	174.9	-61.3	-12.8	0	0	0	111.1	F161 L167 R172 H173 L174 R186 L190	F161-D170 HydrophobicContact CD1-CB 3.78Å; F161-D170 HydrophobicContact CE1-CB 3.88Å; L167-D170 HydrophobicContact CD1-CB 4.36Å; L167-D170 WeakPolarHBondContact O-CB 3.41Å; L167-D170 PolarHBondContact O-N 3.01Å; L167-D170 VanDerWaalsContact O-N 3.13Å; D170-R172 VanDerWaalsContact C-N 3.27Å; D170-R172 PolarHBondContact O-N 3.21Å; D170-H173 PolarHBondContact O-N 3.34Å; D170-H173 VanDerWaalsContact O-N 3.17Å; D170-L174 VanDerWaalsContact O-CG 3.31Å; D170-L174 WeakPolarHBondContact O-CG 3.32Å; D170-L174 PolarHBondContact O-N 2.98Å; D170-R186 WeakPolarHBondContact OD2-CD 3.3Å; D170-R186 IonicContact OD2-CZ 2.89Å; D170-R186 IonicContact OD2-NE 2.76Å; D170-R186 IonicContact OD2-NH1 3.8Å; D170-R186 PolarHBondContact OD2-NH1 3.4Å; D170-L190 HydrophobicContact CB-CD1 4.35Å; D170-L190 HydrophobicContact CB-CD2 4.33Å
171	L	96.6	Very high	95.4	Very high	66 Å²	66	39.3 Å²	39.3	35%	0.346	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-33.8	-178.5	-62.9	-176.4	0	0	0	112.8	L167 D169 L174 Y195	L167-L171 HydrophobicContact CD1-CD2 4.48Å; L167-L171 HydrophobicContact CG-CD1 4.45Å; L167-L171 HydrophobicContact CG-CG 4.31Å; L167-L171 WeakPolarHBondContact O-CG 3.48Å; L167-L171 PolarHBondContact O-N 3.4Å; L167-L171 VanDerWaalsContact O-N 3.09Å; D169-L171 VanDerWaalsContact C-N 3.31Å; D169-L171 PolarHBondContact O-N 3.35Å; L171-L174 HydrophobicContact CD2-CD1 4.3Å; L171-Y195 HydrophobicContact CD2-CD1 3.6Å; L171-Y195 HydrophobicContact CD2-CD2 3.65Å; L171-Y195 HydrophobicContact CD2-CE1 4Å; L171-Y195 HydrophobicContact CD2-CE2 4.03Å; L171-Y195 HydrophobicContact CD2-CG 3.43Å; L171-Y195 VanDerWaalsContact CD2-CG 3.43Å
172	R	95.9	Very high	95.4	Very high	165 Å²	165	39.3 Å²	39.3	62%	0.623	23%	0.233	S	C	*	.	H	α-helix	trans	-68.4	-46.8	174.5	-70.4	-172.2	-67.4	158.1	-1.2	110.9	A168 D169 D170 L174 S175	A168-R172 WeakPolarHBondContact O-CG 3.36Å; A168-R172 PolarHBondContact O-N 2.95Å; D169-R172 PolarHBondContact O-N 2.8Å; D169-R172 IonicContact OD1-CZ 2.83Å; D169-R172 IonicContact OD1-NE 3.59Å; D169-R172 IonicContact OD1-NH2 3.05Å; D169-R172 PolarHBondContact OD1-NH2 3.06Å; D170-R172 VanDerWaalsContact C-N 3.27Å; D170-R172 PolarHBondContact O-N 3.21Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 2.82Å; R172-S175 PolarHBondContact O-N 3.44Å; R172-S175 PolarHBondContact O-OG 3.03Å
173	H	95.9	Very high	95.4	Very high	62 Å²	62	40.1 Å²	40.1	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-66.6	-30.3	-179.3	-64.8	144.6	0	0	0	113.7	H159 F161 D169 D170 S175 D176 C177	H159-H173 HydrophobicContact CB-CB 3.93Å; H159-H173 AromaticContact CE1-CD2 3.42Å; H159-H173 PolarHBondContact CE1-CD2 3.14Å; H159-H173 VanDerWaalsContact CE1-CD2 3.42Å; H159-H173 AromaticContact CE1-CG 3.85Å; H159-H173 AromaticContact CG-CG 3.76Å; H159-H173 AromaticContact ND1-CD2 3.49Å; H159-H173 PolarHBondContact ND1-CD2 2.92Å; H159-H173 AromaticContact ND1-CG 3.52Å; F161-H173 HydrophobicContact CE1-CB 4.42Å; F161-H173 HydrophobicContact CZ-CB 4.21Å; D169-H173 VanDerWaalsContact O-CG 3.31Å; D169-H173 PolarHBondContact O-N 3.29Å; D169-H173 VanDerWaalsContact O-N 3.1Å; D169-H173 PolarHBondContact O-ND1 3.25Å; D169-H173 VanDerWaalsContact O-ND1 3.09Å; D170-H173 PolarHBondContact O-N 3.34Å; D170-H173 VanDerWaalsContact O-N 3.17Å; H173-S175 PolarHBondContact O-N 3.45Å; H173-D176 VanDerWaalsContact O-OD1 3.11Å; H173-C177 VanDerWaalsContact O-CB 3.28Å; H173-C177 WeakPolarHBondContact O-CB 3.21Å; H173-C177 PolarHBondContact O-N 3.46Å
174	L	96	Very high	95.6	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.115	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.4	-179.1	-78.3	168.5	0	0	0	113.7	I127 F161 D170 L171 R172 D176 L190 L196	I127-L174 HydrophobicContact CD1-CD2 3.89Å; F161-L174 HydrophobicContact CE1-CD2 3.84Å; F161-L174 HydrophobicContact CE1-CG 3.79Å; F161-L174 HydrophobicContact CZ-CD2 3.82Å; F161-L174 HydrophobicContact CZ-CG 4.1Å; D170-L174 VanDerWaalsContact O-CG 3.31Å; D170-L174 WeakPolarHBondContact O-CG 3.32Å; D170-L174 PolarHBondContact O-N 2.98Å; L171-L174 HydrophobicContact CD2-CD1 4.3Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 2.82Å; L174-D176 VanDerWaalsContact C-N 3.26Å; L174-D176 PolarHBondContact O-N 3.09Å; L174-L190 HydrophobicContact CD1-CD1 4.42Å; L174-L190 HydrophobicContact CD1-CD2 4.19Å; L174-L196 HydrophobicContact CD2-CB 4.14Å; L174-L196 HydrophobicContact CD2-CD1 4.12Å; L174-L196 HydrophobicContact CD2-CG 3.87Å
175	S	90.1	Very high	95.9	Very high	92 Å²	92	38 Å²	38	64%	0.643	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.3	-174.7	66.5	0	0	0	0	114.7	R172 H173	R172-S175 PolarHBondContact O-N 3.44Å; R172-S175 PolarHBondContact O-OG 3.03Å; H173-S175 PolarHBondContact O-N 3.45Å
176	D	90.7	Very high	96.2	Very high	43 Å²	43	37.1 Å²	37.1	23%	0.23	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.6	11.9	-174.3	59.5	4.5	0	0	0	113.6	K157 H159 H173 L174 H178	K157-D176 WeakPolarHBondContact CB-O 3.32Å; K157-D176 HydrophobicContact CD-CB 3.75Å; K157-D176 WeakPolarHBondContact CD-O 3.23Å; K157-D176 VanDerWaalsContact CD-OD2 3.31Å; K157-D176 WeakPolarHBondContact CD-OD2 3.33Å; K157-D176 WeakPolarHBondContact CE-OD2 3.49Å; K157-D176 VanDerWaalsContact NZ-CG 3.3Å; K157-D176 IonicContact NZ-OD2 3.29Å; K157-D176 PolarHBondContact NZ-OD2 3.22Å; H159-D176 IonicContact NE2-OD1 2.66Å; H173-D176 VanDerWaalsContact O-OD1 3.11Å; L174-D176 VanDerWaalsContact C-N 3.26Å; L174-D176 PolarHBondContact O-N 3.09Å; D176-H178 PolarHBondContact O-ND1 2.78Å
177	C	97.4	Very high	96.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	19%	0.186	C	C	.	.			trans	-72.3	134.2	-178.4	-171.1	0	0	0	0	112.6	T126 I127 H173 I179	T126-C177 CarbonylContact C-O 3.58Å; I127-C177 WeakPolarHBondContact CA-O 3.14Å; I127-C177 HydrophobicContact CG1-CB 4.15Å; I127-C177 WeakPolarHBondContact CG1-O 3.3Å; I127-C177 PolarHBondContact N-O 3.32Å; I127-C177 VanDerWaalsContact N-O 3.12Å; H173-C177 VanDerWaalsContact O-CB 3.28Å; H173-C177 WeakPolarHBondContact O-CB 3.21Å; H173-C177 PolarHBondContact O-N 3.46Å; C177-I179 PolarHBondContact SG-O 3.47Å
178	H	98.6	Very high	96.5	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.028	19%	0.186	C	C	.	.	S	Bend	trans	-102.9	-36.7	170.4	-57.4	82.1	0	0	0	111.6	I120 V122 R124 Q128 A129 G155 K157 D176	I120-H178 HydrophobicContact CG2-CB 4.35Å; V122-H178 PolarHBondContact O-NE2 2.8Å; R124-H178 PolarHBondContact O-CD2 2.97Å; R124-H178 VanDerWaalsContact O-CD2 3.29Å; R124-H178 PolarHBondContact O-NE2 2.8Å; Q128-H178 PolarHBondContact N-O 3.47Å; A129-H178 PolarHBondContact N-O 3.31Å; G155-H178 PolarHBondContact O-CE1 2.93Å; G155-H178 VanDerWaalsContact O-CE1 3.3Å; K157-H178 PolarHBondContact N-ND1 2.89Å; K157-H178 VanDerWaalsContact N-ND1 3.19Å; K157-H178 WeakPolarHBondContact O-CB 3.42Å; K157-H178 PolarHBondContact O-N 2.54Å; D176-H178 PolarHBondContact O-ND1 2.78Å
179	I	98.8	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.8	-177	-53	172.1	0	0	0	109.4	I116 L117 I120 A129 I146 L156 K157 C158 H159 C177 V181	I116-I179 HydrophobicContact CG2-CD1 3.56Å; I116-I179 HydrophobicContact CG2-CG1 3.94Å; L117-I179 HydrophobicContact CD2-CD1 3.98Å; I120-I179 HydrophobicContact CD1-CG1 3.92Å; I120-I179 HydrophobicContact CG1-CD1 4.18Å; I120-I179 HydrophobicContact CG1-CG1 4.13Å; A129-I179 HydrophobicContact CB-CG1 4.45Å; A129-I179 HydrophobicContact CB-CG2 4.32Å; I146-I179 HydrophobicContact CD1-CG2 4.31Å; I146-I179 HydrophobicContact CG2-CD1 3.66Å; L156-I179 HydrophobicContact CD1-CD1 4.29Å; L156-I179 HydrophobicContact CD2-CD1 4.01Å; L156-I179 HydrophobicContact CG-CD1 4.49Å; K157-I179 PolarHBondContact O-N 3.39Å; K157-I179 VanDerWaalsContact O-N 3.13Å; C158-I179 WeakPolarHBondContact CA-O 3.29Å; C158-I179 HydrophobicContact CB-CB 4.05Å; H159-I179 PolarHBondContact N-O 2.86Å; C177-I179 PolarHBondContact SG-O 3.47Å; I179-V181 HydrophobicContact CG2-CG2 4.13Å
180	V	98.8	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.6	172.3	165.2	0	0	0	0	108.3	I127 A129 I130 V131 F161 V187 L196	I127-V180 HydrophobicContact CD1-CG2 3.83Å; I127-V180 HydrophobicContact CG1-CG2 4.12Å; I127-V180 HydrophobicContact CG2-CB 4.36Å; I127-V180 HydrophobicContact CG2-CG2 3.65Å; A129-V180 PolarHBondContact O-N 2.99Å; I130-V180 CarbonylContact C-O 3.3Å; I130-V180 WeakPolarHBondContact CA-O 3.28Å; I130-V180 HydrophobicContact CG1-CB 4.15Å; I130-V180 HydrophobicContact CG1-CG1 4.48Å; I130-V180 HydrophobicContact CG2-CG1 4.24Å; V131-V180 PolarHBondContact N-O 2.97Å; F161-V180 HydrophobicContact CD2-CB 4.17Å; F161-V180 HydrophobicContact CD2-CG1 3.67Å; F161-V180 HydrophobicContact CD2-CG2 4.14Å; F161-V180 HydrophobicContact CE2-CB 4.15Å; F161-V180 HydrophobicContact CE2-CG1 4.12Å; F161-V180 HydrophobicContact CE2-CG2 3.72Å; F161-V180 HydrophobicContact CG-CG1 4.43Å; F161-V180 HydrophobicContact CZ-CG2 4.44Å; V180-V187 HydrophobicContact CG1-CG2 4.07Å; V180-L196 HydrophobicContact CG1-CD1 4.38Å; V180-L196 HydrophobicContact CG2-CD1 4.19Å
181	V	98.7	Very high	96.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.1	169	-173.8	0	0	0	0	108	V131 A139 Q143 I146 H159 L160 F161 I179	V131-V181 HydrophobicContact CB-CB 4.46Å; V131-V181 HydrophobicContact CB-CG1 4.22Å; V131-V181 HydrophobicContact CB-CG2 4.16Å; V131-V181 HydrophobicContact CG1-CG1 4.34Å; V131-V181 HydrophobicContact CG2-CG2 4.32Å; V131-V181 CarbonylContact O-C 3.53Å; V131-V181 WeakPolarHBondContact O-CA 3.34Å; A139-V181 HydrophobicContact CB-CG1 4.14Å; A139-V181 WeakPolarHBondContact O-CG1 3.46Å; Q143-V181 HydrophobicContact CB-CB 4.19Å; Q143-V181 HydrophobicContact CB-CG1 4.35Å; Q143-V181 HydrophobicContact CB-CG2 4.26Å; I146-V181 HydrophobicContact CD1-CG2 3.83Å; H159-V181 PolarHBondContact O-N 2.62Å; L160-V181 CarbonylContact C-O 3.56Å; L160-V181 VanDerWaalsContact CA-O 3.26Å; L160-V181 WeakPolarHBondContact CA-O 3.39Å; F161-V181 PolarHBondContact N-O 3.27Å; I179-V181 HydrophobicContact CG2-CG2 4.13Å
182	G	98	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-179.7	-173.7	0	0	0	0	0	116.4	V131 L132 S133 F161	V131-G182 PolarHBondContact O-N 3.29Å; L132-G182 WeakPolarHBondContact CA-O 3.34Å; S133-G182 PolarHBondContact N-O 3.34Å; F161-G182 WeakPolarHBondContact O-CA 3.3Å
183	T	96.1	Very high	96.9	Very high	16 Å²	16	31.3 Å²	31.3	10%	0.098	17%	0.168	C	C	.	.			trans	-93.5	144.1	173.6	51.6	0	0	0	0	110.8	R136 F161 V162 G185 R186 V187	R136-T183 HydrophobicContact CG-CG2 3.99Å; F161-T183 PolarHBondContact O-N 3.46Å; F161-T183 VanDerWaalsContact O-N 3.15Å; V162-T183 HydrophobicContact CG1-CG2 4.01Å; T183-G185 PolarHBondContact O-N 2.95Å; T183-R186 PolarHBondContact O-N 3.34Å; T183-R186 VanDerWaalsContact O-N 3.12Å; T183-V187 PolarHBondContact O-N 2.87Å
184	P	97.2	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-48.7	-50.3	-174.5	-29.5	33.9	0	0	0	114.3	L132 R186 V187 R188 L212 F230 D233 I234 I237	L132-P184 HydrophobicContact CD1-CG 4.42Å; P184-R186 PolarHBondContact O-N 3.22Å; P184-V187 PolarHBondContact O-N 3.31Å; P184-R188 WeakPolarHBondContact O-CB 3.29Å; P184-R188 PolarHBondContact O-N 2.98Å; P184-L212 HydrophobicContact CG-CD2 3.62Å; P184-F230 HydrophobicContact CB-CD1 4.22Å; P184-F230 HydrophobicContact CG-CB 4.41Å; P184-F230 HydrophobicContact CG-CD1 4.11Å; P184-F230 HydrophobicContact CG-CG 4.22Å; P184-D233 HydrophobicContact CB-CB 3.74Å; P184-I234 HydrophobicContact CB-CG1 4.32Å; P184-I234 HydrophobicContact CG-CD1 4.49Å; P184-I234 HydrophobicContact CG-CG1 4.2Å; P184-I237 HydrophobicContact CB-CD1 4.44Å
185	G	95.8	Very high	97	Very high	34 Å²	34	35.8 Å²	35.8	35%	0.351	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-37.4	-177	0	0	0	0	0	114.6	T183 Y189 D233	T183-G185 PolarHBondContact O-N 2.95Å; G185-Y189 WeakPolarHBondContact O-CB 3.44Å; G185-Y189 PolarHBondContact O-N 3.06Å; G185-Y189 VanDerWaalsContact O-N 3.08Å; G185-D233 WeakPolarHBondContact CA-OD2 3.43Å
186	R	97.4	Very high	97.4	Very high	30 Å²	30	31.9 Å²	31.9	11%	0.113	17%	0.174	C	C	.	.	H	α-helix	trans	-73.3	-44.3	176.9	178.4	63.6	71.6	125.9	8.5	111.3	F161 V162 L165 D170 T183 P184 Y189 L190	F161-R186 HydrophobicContact CB-CG 4.08Å; V162-R186 VanDerWaalsContact O-CZ 3.26Å; V162-R186 PolarHBondContact O-NE 3.17Å; V162-R186 PolarHBondContact O-NH2 2.9Å; L165-R186 PolarHBondContact O-NH1 3.37Å; L165-R186 PolarHBondContact O-NH2 2.9Å; D170-R186 WeakPolarHBondContact OD2-CD 3.3Å; D170-R186 IonicContact OD2-CZ 2.89Å; D170-R186 IonicContact OD2-NE 2.76Å; D170-R186 IonicContact OD2-NH1 3.8Å; D170-R186 PolarHBondContact OD2-NH1 3.4Å; T183-R186 PolarHBondContact O-N 3.34Å; T183-R186 VanDerWaalsContact O-N 3.12Å; P184-R186 PolarHBondContact O-N 3.22Å; R186-Y189 PolarHBondContact O-N 2.84Å; R186-L190 HydrophobicContact CG-CD1 4.16Å; R186-L190 WeakPolarHBondContact O-CG 3.16Å; R186-L190 PolarHBondContact O-N 3.01Å
187	V	98.6	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-45.3	-179.8	176.4	0	0	0	0	110.4	I130 L132 F161 V180 T183 P184 Y189 L190 L191 L196 I237	I130-V187 HydrophobicContact CG2-CG1 4.34Å; L132-V187 HydrophobicContact CD2-CB 4.07Å; L132-V187 HydrophobicContact CD2-CG1 4.23Å; L132-V187 HydrophobicContact CD2-CG2 3.84Å; F161-V187 HydrophobicContact CB-CG2 4.44Å; V180-V187 HydrophobicContact CG1-CG2 4.07Å; T183-V187 PolarHBondContact O-N 2.87Å; P184-V187 PolarHBondContact O-N 3.31Å; V187-Y189 PolarHBondContact O-N 2.98Å; V187-L190 PolarHBondContact O-N 2.91Å; V187-L191 HydrophobicContact CG1-CD1 4.22Å; V187-L191 WeakPolarHBondContact O-CG 3.42Å; V187-L191 PolarHBondContact O-N 2.96Å; V187-L191 VanDerWaalsContact O-N 3.09Å; V187-L196 HydrophobicContact CG1-CD1 4.27Å; V187-I237 HydrophobicContact CB-CD1 4.04Å; V187-I237 HydrophobicContact CG1-CD1 3.97Å; V187-I237 HydrophobicContact CG1-CG1 4.21Å
188	R	98	Very high	97.6	Very high	68 Å²	68	34.6 Å²	34.6	26%	0.257	20%	0.196	S	C	.	.	H	α-helix	trans	-55.1	-50.4	171.7	175	-171.7	169.5	151.6	6	111.5	P184 L190 L191 E192 D233 Y236 I237	P184-R188 WeakPolarHBondContact O-CB 3.29Å; P184-R188 PolarHBondContact O-N 2.98Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-L190 PolarHBondContact O-N 3.3Å; R188-L191 WeakPolarHBondContact O-CB 3.44Å; R188-L191 PolarHBondContact O-N 3.25Å; R188-L191 VanDerWaalsContact O-N 3.13Å; R188-E192 IonicContact NE-OE2 3.13Å; R188-E192 PolarHBondContact NE-OE2 2.81Å; R188-E192 IonicContact NH2-OE2 3.73Å; R188-E192 WeakPolarHBondContact O-CB 3.49Å; R188-E192 PolarHBondContact O-N 2.98Å; R188-D233 HydrophobicContact CB-CB 4.31Å; R188-D233 WeakPolarHBondContact CD-OD1 3.47Å; R188-D233 IonicContact CZ-OD1 3.86Å; R188-D233 IonicContact NE-OD1 3.98Å; R188-D233 IonicContact NH1-OD1 2.71Å; R188-D233 PolarHBondContact NH1-OD1 3.17Å; R188-Y236 HydrophobicContact CG-CD1 3.8Å; R188-Y236 HydrophobicContact CG-CE1 4.35Å; R188-Y236 HydrophobicContact CG-CG 4.18Å; R188-I237 HydrophobicContact CB-CD1 4.33Å; R188-I237 HydrophobicContact CB-CG1 4.24Å
189	Y	98	Very high	97.5	Very high	108 Å²	108	40.5 Å²	40.5	42%	0.424	22%	0.223	S	C	.	.	H	α-helix	trans	-56.8	-44.2	-179.3	170.1	-96.7	0	0	0	112.1	L167 G185 R186 V187 L191 E192 A193	L167-Y189 HydrophobicContact CD1-CD1 4.43Å; L167-Y189 HydrophobicContact CD1-CE1 3.81Å; L167-Y189 HydrophobicContact CD2-CE1 3.9Å; G185-Y189 WeakPolarHBondContact O-CB 3.44Å; G185-Y189 PolarHBondContact O-N 3.06Å; G185-Y189 VanDerWaalsContact O-N 3.08Å; R186-Y189 PolarHBondContact O-N 2.84Å; V187-Y189 PolarHBondContact O-N 2.98Å; Y189-L191 VanDerWaalsContact C-N 3.31Å; Y189-L191 PolarHBondContact O-N 2.79Å; Y189-E192 PolarHBondContact O-N 3.41Å; Y189-A193 VanDerWaalsContact O-CB 3.27Å; Y189-A193 WeakPolarHBondContact O-CB 3.3Å; Y189-A193 PolarHBondContact O-N 3.18Å
190	L	98.5	Very high	97.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-32.9	179	-66.5	170.3	0	0	0	112.7	F161 L167 D170 L174 R186 V187 R188 G194 Y195 L196	F161-L190 HydrophobicContact CB-CD1 4.2Å; F161-L190 HydrophobicContact CD1-CD1 3.48Å; F161-L190 VanDerWaalsContact CD1-CD1 3.48Å; F161-L190 HydrophobicContact CE1-CD1 4.18Å; F161-L190 HydrophobicContact CG-CD1 4.1Å; L167-L190 HydrophobicContact CD1-CD2 3.57Å; D170-L190 HydrophobicContact CB-CD1 4.35Å; D170-L190 HydrophobicContact CB-CD2 4.33Å; L174-L190 HydrophobicContact CD1-CD1 4.42Å; L174-L190 HydrophobicContact CD1-CD2 4.19Å; R186-L190 HydrophobicContact CG-CD1 4.16Å; R186-L190 WeakPolarHBondContact O-CG 3.16Å; R186-L190 PolarHBondContact O-N 3.01Å; V187-L190 PolarHBondContact O-N 2.91Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-L190 PolarHBondContact O-N 3.3Å; L190-G194 PolarHBondContact O-N 2.83Å; L190-Y195 HydrophobicContact CD2-CD2 4.14Å; L190-Y195 PolarHBondContact O-N 2.9Å; L190-L196 HydrophobicContact CB-CB 3.95Å; L190-L196 HydrophobicContact CB-CD1 4.24Å; L190-L196 PolarHBondContact O-N 3.12Å; L190-L196 VanDerWaalsContact O-N 3.1Å
191	L	98	Very high	97.4	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.099	23%	0.231	C	C	.	.	H	α-helix	trans	-69.1	-50.6	172.7	-72.1	165.5	0	0	0	111.8	V187 R188 Y189 A193 G194 L196 T198 Y236 I237	V187-L191 HydrophobicContact CG1-CD1 4.22Å; V187-L191 WeakPolarHBondContact O-CG 3.42Å; V187-L191 PolarHBondContact O-N 2.96Å; V187-L191 VanDerWaalsContact O-N 3.09Å; R188-L191 WeakPolarHBondContact O-CB 3.44Å; R188-L191 PolarHBondContact O-N 3.25Å; R188-L191 VanDerWaalsContact O-N 3.13Å; Y189-L191 VanDerWaalsContact C-N 3.31Å; Y189-L191 PolarHBondContact O-N 2.79Å; L191-A193 VanDerWaalsContact C-N 3.28Å; L191-A193 PolarHBondContact O-N 2.93Å; L191-G194 WeakPolarHBondContact O-CA 3.39Å; L191-G194 PolarHBondContact O-N 2.84Å; L191-L196 HydrophobicContact CD2-CB 4.13Å; L191-L196 HydrophobicContact CD2-CD2 3.68Å; L191-L196 HydrophobicContact CD2-CG 4.39Å; L191-L196 HydrophobicContact CG-CB 4.35Å; L191-L196 HydrophobicContact CG-CD2 4.34Å; L191-T198 HydrophobicContact CD2-CG2 3.19Å; L191-Y236 HydrophobicContact CB-CE1 4.02Å; L191-I237 HydrophobicContact CD1-CB 4.14Å; L191-I237 HydrophobicContact CD1-CG1 3.71Å; L191-I237 HydrophobicContact CD1-CG2 4.13Å
192	E	97.2	Very high	97.4	Very high	113 Å²	113	47.6 Å²	47.6	53%	0.528	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-35.7	-178.3	-173.2	169.9	-171.3	0	0	111.8	R188 Y189 G194 Y236	R188-E192 IonicContact NE-OE2 3.13Å; R188-E192 PolarHBondContact NE-OE2 2.81Å; R188-E192 IonicContact NH2-OE2 3.73Å; R188-E192 WeakPolarHBondContact O-CB 3.49Å; R188-E192 PolarHBondContact O-N 2.98Å; Y189-E192 PolarHBondContact O-N 3.41Å; E192-G194 VanDerWaalsContact C-N 3.25Å; E192-G194 PolarHBondContact O-N 2.95Å; E192-Y236 HydrophobicContact CB-CE1 4.34Å
193	A	97.4	Very high	97.5	Very high	43 Å²	43	48 Å²	48	36%	0.355	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-5.1	173.3	0	0	0	0	0	114.1	Y189 L191 Y195	Y189-A193 VanDerWaalsContact O-CB 3.27Å; Y189-A193 WeakPolarHBondContact O-CB 3.3Å; Y189-A193 PolarHBondContact O-N 3.18Å; L191-A193 VanDerWaalsContact C-N 3.28Å; L191-A193 PolarHBondContact O-N 2.93Å; A193-Y195 VanDerWaalsContact C-N 3.34Å; A193-Y195 HydrophobicContact CB-CD2 3.53Å; A193-Y195 HydrophobicContact CB-CE2 3.55Å; A193-Y195 HydrophobicContact CB-CG 4.42Å; A193-Y195 PolarHBondContact O-N 3.28Å
194	G	96.5	Very high	97.6	Very high	65 Å²	65	47.2 Å²	47.2	67%	0.67	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	14.5	178.9	0	0	0	0	0	115.3	L190 L191 E192	L190-G194 PolarHBondContact O-N 2.83Å; L191-G194 WeakPolarHBondContact O-CA 3.39Å; L191-G194 PolarHBondContact O-N 2.84Å; E192-G194 VanDerWaalsContact C-N 3.25Å; E192-G194 PolarHBondContact O-N 2.95Å
195	Y	97.4	Very high	97.7	Very high	114 Å²	114	47.2 Å²	47.2	45%	0.447	25%	0.249	S	C	.	.			trans	-82	-32.2	178.5	-62.1	-53.1	0	0	0	112.9	L171 L190 A193	L171-Y195 HydrophobicContact CD2-CD1 3.6Å; L171-Y195 HydrophobicContact CD2-CD2 3.65Å; L171-Y195 HydrophobicContact CD2-CE1 4Å; L171-Y195 HydrophobicContact CD2-CE2 4.03Å; L171-Y195 HydrophobicContact CD2-CG 3.43Å; L171-Y195 VanDerWaalsContact CD2-CG 3.43Å; L190-Y195 HydrophobicContact CD2-CD2 4.14Å; L190-Y195 PolarHBondContact O-N 2.9Å; A193-Y195 VanDerWaalsContact C-N 3.34Å; A193-Y195 HydrophobicContact CB-CD2 3.53Å; A193-Y195 HydrophobicContact CB-CE2 3.55Å; A193-Y195 HydrophobicContact CB-CG 4.42Å; A193-Y195 PolarHBondContact O-N 3.28Å
196	L	97.6	Very high	97.8	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	23%	0.232	C	C	.	.	S	Bend	trans	-100.2	114.4	-177.1	-163.6	160	0	0	0	110.1	I127 I130 L174 V180 V187 L190 L191 T198	I127-L196 HydrophobicContact CD1-CD1 4.41Å; I127-L196 HydrophobicContact CD1-CD2 3.68Å; I127-L196 HydrophobicContact CD1-CG 3.6Å; I130-L196 HydrophobicContact CD1-CD2 4.32Å; L174-L196 HydrophobicContact CD2-CB 4.14Å; L174-L196 HydrophobicContact CD2-CD1 4.12Å; L174-L196 HydrophobicContact CD2-CG 3.87Å; V180-L196 HydrophobicContact CG1-CD1 4.38Å; V180-L196 HydrophobicContact CG2-CD1 4.19Å; V187-L196 HydrophobicContact CG1-CD1 4.27Å; L190-L196 HydrophobicContact CB-CB 3.95Å; L190-L196 HydrophobicContact CB-CD1 4.24Å; L190-L196 PolarHBondContact O-N 3.12Å; L190-L196 VanDerWaalsContact O-N 3.1Å; L191-L196 HydrophobicContact CD2-CB 4.13Å; L191-L196 HydrophobicContact CD2-CD2 3.68Å; L191-L196 HydrophobicContact CD2-CG 4.39Å; L191-L196 HydrophobicContact CG-CB 4.35Å; L191-L196 HydrophobicContact CG-CD2 4.34Å; L196-T198 HydrophobicContact CD2-CG2 3.89Å
197	S	96	Very high	97.7	Very high	77 Å²	77	44.5 Å²	44.5	54%	0.538	23%	0.228	S	C	.	.			trans	-86.2	131.5	174.4	179.6	0	0	0	0	111.7
198	T	96.9	Very high	97.3	Very high	25 Å²	25	45.1 Å²	45.1	15%	0.153	23%	0.231	C	C	.	.			trans	-107.1	-2.1	-176.9	53	0	0	0	0	114.4	L191 L196 H200 V201 S240 L241 P242	L191-T198 HydrophobicContact CD2-CG2 3.19Å; L196-T198 HydrophobicContact CD2-CG2 3.89Å; T198-H200 PolarHBondContact O-N 3.34Å; T198-V201 WeakPolarHBondContact O-CB 3.41Å; T198-V201 PolarHBondContact O-N 2.64Å; T198-S240 WeakPolarHBondContact CB-O 3.05Å; T198-S240 PolarHBondContact OG1-O 2.8Å; T198-L241 HydrophobicContact CG2-CD2 3.59Å; T198-P242 WeakPolarHBondContact O-CD 3.16Å; T198-P242 VanDerWaalsContact O-CG 3.29Å; T198-P242 WeakPolarHBondContact O-CG 2.85Å
199	E	96.7	Very high	97.1	Very high	129 Å²	129	41.9 Å²	41.9	60%	0.603	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-37.6	-171	-174.5	-174.3	176.4	0	0	113.5	R202 P242	E199-R202 PolarHBondContact O-NH1 3.3Å; E199-P242 WeakPolarHBondContact O-CG 3.34Å
200	H	97.7	Very high	96.7	Very high	37 Å²	37	37.4 Å²	37.4	17%	0.171	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	5.6	-174.4	-65	95.8	0	0	0	114.1	R124 T126 I127 T198 R202	R124-H200 PolarHBondContact NH1-CD2 2.98Å; T126-H200 WeakPolarHBondContact OG1-CB 3.28Å; I127-H200 CarbonylContact O-C 3.48Å; I127-H200 VanDerWaalsContact O-C 3.3Å; T198-H200 PolarHBondContact O-N 3.34Å; H200-R202 PolarHBondContact O-N 3.36Å
201	V	98.6	Very high	96.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.			trans	-67.9	125	176.6	179.7	0	0	0	0	109.3	I127 Q128 I130 T198 L241 P242	I127-V201 HydrophobicContact CB-CG2 4.38Å; I127-V201 HydrophobicContact CG2-CG2 3.9Å; I127-V201 PolarHBondContact O-N 3.46Å; Q128-V201 WeakPolarHBondContact O-CA 3.3Å; I130-V201 HydrophobicContact CD1-CG1 4.29Å; I130-V201 HydrophobicContact CD1-CG2 4.07Å; I130-V201 HydrophobicContact CG1-CG1 4.09Å; I130-V201 HydrophobicContact CG1-CG2 4.16Å; T198-V201 WeakPolarHBondContact O-CB 3.41Å; T198-V201 PolarHBondContact O-N 2.64Å; V201-L241 HydrophobicContact CB-CD2 4.33Å; V201-L241 HydrophobicContact CG1-CD1 4.15Å; V201-L241 HydrophobicContact CG1-CD2 4.14Å; V201-P242 WeakPolarHBondContact O-CG 3.25Å
202	R	98.2	Very high	95.8	Very high	112 Å²	112	38.4 Å²	38.4	42%	0.423	21%	0.207	S	C	.	.			trans	-125.8	-9.4	179.4	-65.1	-61.6	178.6	-85.1	0.5	113.4	Q128 E199 H200 S244 K245 Q246	Q128-R202 PolarHBondContact O-N 3.25Å; E199-R202 PolarHBondContact O-NH1 3.3Å; H200-R202 PolarHBondContact O-N 3.36Å; R202-S244 WeakPolarHBondContact CD-O 3.44Å; R202-K245 CarbonylContact O-C 3.55Å; R202-K245 WeakPolarHBondContact O-CA 3.37Å; R202-Q246 PolarHBondContact O-N 3.14Å
203	Q	98.7	Very high	95.5	Very high	9 Å²	9	33 Å²	33	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.9	175.5	-74.5	172.8	-39.1	0	0	110.9	V115 I116 Q128 A129 I130 Q246	V115-Q203 PolarHBondContact O-NE2 2.99Å; I116-Q203 VanDerWaalsContact CA-OE1 3.28Å; Q128-Q203 PolarHBondContact O-N 3.19Å; A129-Q203 WeakPolarHBondContact CA-O 3.43Å; A129-Q203 HydrophobicContact CB-CB 4.04Å; I130-Q203 PolarHBondContact N-O 3.35Å; Q203-Q246 CarbonylContact C-O 3.49Å; Q203-Q246 WeakPolarHBondContact CA-O 3.49Å; Q203-Q246 HydrophobicContact CG-CB 4.24Å
204	F	98.8	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.5	178	-176.8	-126.2	0	0	0	109.8	I130 L132 L206 I234 I237 W238 L241 Q246 V247 L248	I130-F204 HydrophobicContact CB-CD2 4.14Å; I130-F204 HydrophobicContact CG2-CD2 4.16Å; I130-F204 HydrophobicContact CG2-CE2 4.17Å; I130-F204 CarbonylContact O-C 3.55Å; I130-F204 WeakPolarHBondContact O-CA 3.49Å; L132-F204 HydrophobicContact CD1-CE2 3.56Å; L132-F204 HydrophobicContact CD1-CZ 3.56Å; L132-F204 HydrophobicContact CG-CE2 3.79Å; L132-F204 HydrophobicContact CG-CZ 4.23Å; F204-L206 HydrophobicContact CE1-CD2 3.75Å; F204-L206 HydrophobicContact CE1-CG 4.19Å; F204-L206 HydrophobicContact CE2-CD2 4.47Å; F204-L206 HydrophobicContact CZ-CD2 3.69Å; F204-I234 HydrophobicContact CE1-CG2 4.43Å; F204-I234 HydrophobicContact CZ-CG2 4.29Å; F204-I237 HydrophobicContact CE2-CG2 3.81Å; F204-I237 HydrophobicContact CZ-CG2 4.16Å; F204-W238 HydrophobicContact CE1-CB 4.48Å; F204-L241 HydrophobicContact CB-CD1 3.85Å; F204-L241 HydrophobicContact CD1-CD1 4.4Å; F204-L241 HydrophobicContact CD2-CD1 3.69Å; F204-L241 HydrophobicContact CE2-CD1 4.3Å; F204-L241 HydrophobicContact CG-CD1 3.73Å; F204-Q246 PolarHBondContact N-O 2.84Å; F204-V247 HydrophobicContact CB-CG2 4.4Å; F204-V247 HydrophobicContact CD1-CG1 4.2Å; F204-V247 HydrophobicContact CD1-CG2 4.45Å; F204-V247 CarbonylContact O-C 3.51Å; F204-V247 VanDerWaalsContact O-CA 3.26Å; F204-V247 WeakPolarHBondContact O-CA 3.28Å; F204-L248 PolarHBondContact O-N 3.17Å
205	V	98.8	Very high	94	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.8	-174.5	-177.1	0	0	0	0	110.3	F112 I116 I130 V131 L132 L248 L250	F112-V205 HydrophobicContact CB-CG1 3.84Å; F112-V205 HydrophobicContact CB-CG2 4.17Å; F112-V205 HydrophobicContact CD1-CG1 3.92Å; F112-V205 HydrophobicContact CD2-CG1 4.24Å; F112-V205 HydrophobicContact CE1-CG1 4.45Å; F112-V205 HydrophobicContact CG-CG1 3.77Å; I116-V205 HydrophobicContact CD1-CG2 3.94Å; I116-V205 HydrophobicContact CG1-CG2 4.45Å; I130-V205 PolarHBondContact O-N 2.97Å; V131-V205 HydrophobicContact CB-CB 4.31Å; V131-V205 HydrophobicContact CG1-CB 4.13Å; V131-V205 HydrophobicContact CG1-CG1 4.15Å; V131-V205 HydrophobicContact CG2-CB 4.06Å; V131-V205 HydrophobicContact CG2-CG2 4.26Å; L132-V205 PolarHBondContact N-O 3.13Å; V205-L248 CarbonylContact C-O 3.55Å; V205-L248 VanDerWaalsContact CA-O 3.3Å; V205-L248 WeakPolarHBondContact CA-O 3.44Å; V205-L248 HydrophobicContact CG1-CB 4.38Å; V205-L248 HydrophobicContact CG2-CB 4.22Å; V205-L248 HydrophobicContact CG2-CD1 4.29Å; V205-L250 HydrophobicContact CG1-CD1 3.8Å
206	L	98.3	Very high	92.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	100	172	-58.5	177.1	0	0	0	108.5	L132 F204 A209 L212 L213 I234 L248 A249 L250 L263	L132-L206 HydrophobicContact CB-CD2 4.28Å; L132-L206 HydrophobicContact CD1-CD2 4.18Å; F204-L206 HydrophobicContact CE1-CD2 3.75Å; F204-L206 HydrophobicContact CE1-CG 4.19Å; F204-L206 HydrophobicContact CE2-CD2 4.47Å; F204-L206 HydrophobicContact CZ-CD2 3.69Å; L206-A209 HydrophobicContact CB-CB 4.01Å; L206-L212 HydrophobicContact CB-CD1 3.99Å; L206-L212 HydrophobicContact CD2-CD1 4.09Å; L206-L213 HydrophobicContact CD1-CD1 4.2Å; L206-I234 HydrophobicContact CD2-CG2 4.19Å; L206-L248 PolarHBondContact N-O 3.46Å; L206-A249 HydrophobicContact CB-CB 4.43Å; L206-L250 PolarHBondContact O-N 2.9Å; L206-L263 HydrophobicContact CD1-CD2 4.31Å
207	D	95.9	Very high	91.8	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.032	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.1	176.4	-172.5	21.4	0	0	0	110.5	F112 L132 P134 I138 S142 L212	F112-D207 HydrophobicContact CE1-CB 4.19Å; L132-D207 WeakPolarHBondContact O-CB 3.48Å; L132-D207 PolarHBondContact O-N 2.88Å; P134-D207 WeakPolarHBondContact CD-O 3.44Å; I138-D207 WeakPolarHBondContact CG2-OD2 3.46Å; S142-D207 PolarHBondContact OG-OD2 3.3Å; S142-D207 VanDerWaalsContact OG-OD2 3.07Å; D207-L212 WeakPolarHBondContact O-CD1 3.42Å
208	E	91.2	Very high	91	Very high	14 Å²	14	24.8 Å²	24.8	7%	0.065	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	53.6	-165.9	-56.2	-81.7	-154.2	0	0	110.8	P134 I138 D210 L211 L212 L250 H405 R409	P134-E208 HydrophobicContact CG-CB 3.84Å; I138-E208 HydrophobicContact CD1-CG 3.94Å; E208-D210 VanDerWaalsContact C-OD1 3.26Å; E208-D210 PolarHBondContact O-N 2.87Å; E208-L211 PolarHBondContact O-N 3.21Å; E208-L212 PolarHBondContact O-N 2.99Å; E208-L212 VanDerWaalsContact O-N 3.15Å; E208-L250 WeakPolarHBondContact CA-O 3.23Å; E208-L250 PolarHBondContact N-O 2.69Å; E208-H405 IonicContact OE2-CE1 3.69Å; E208-R409 IonicContact OE1-NH2 2.84Å
209	A	93.3	Very high	89.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.4	-31.4	-172.8	0	0	0	0	0	114.2	L206 L211 L212 L213 A249 L250 Y254	L206-A209 HydrophobicContact CB-CB 4.01Å; A209-L211 VanDerWaalsContact C-N 3.34Å; A209-L211 PolarHBondContact O-N 3.35Å; A209-L212 PolarHBondContact O-N 3.19Å; A209-L213 VanDerWaalsContact O-CB 3.3Å; A209-L213 WeakPolarHBondContact O-CB 3.46Å; A209-L213 WeakPolarHBondContact O-CG 3.45Å; A209-L213 PolarHBondContact O-N 2.51Å; A209-A249 HydrophobicContact CB-CB 3.99Å; A209-L250 PolarHBondContact N-O 2.89Å; A209-Y254 HydrophobicContact CB-CE1 4.17Å
210	D	88.4	Confident	89	Confident	13 Å²	13	28 Å²	28	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-44	172.5	61.5	-34.3	0	0	0	112.1	E208 S214 S251 T253 L258 R381 H405	E208-D210 VanDerWaalsContact C-OD1 3.26Å; E208-D210 PolarHBondContact O-N 2.87Å; D210-S214 WeakPolarHBondContact O-CB 3.43Å; D210-S214 PolarHBondContact O-N 3.03Å; D210-S251 WeakPolarHBondContact OD1-CB 3.48Å; D210-S251 PolarHBondContact OD1-OG 3.42Å; D210-S251 PolarHBondContact OD2-OG 2.96Å; D210-T253 PolarHBondContact OD2-OG1 3.19Å; D210-L258 HydrophobicContact CB-CD2 3.96Å; D210-R381 VanDerWaalsContact CG-NH1 3.28Å; D210-R381 IonicContact OD1-NH1 2.62Å; D210-R381 PolarHBondContact OD1-NH1 2.93Å; D210-R381 IonicContact OD2-CZ 3.78Å; D210-R381 IonicContact OD2-NH1 2.73Å; D210-R381 PolarHBondContact OD2-NH1 3.15Å; D210-R381 IonicContact OD2-NH2 2.96Å; D210-H405 IonicContact OD2-CE1 2.65Å; D210-H405 IonicContact OD2-NE2 3.8Å; D210-H405 PolarHBondContact OD2-NE2 3.01Å
211	L	86.3	Confident	87.9	Confident	40 Å²	40	31 Å²	31	21%	0.209	16%	0.157	C	C	.	.	H	α-helix	trans	-74.1	-42.3	177.1	-173.2	57.6	0	0	0	111.9	P134 E208 A209 L213 S214 R381	P134-L211 HydrophobicContact CB-CB 4.07Å; P134-L211 HydrophobicContact CB-CD2 3.51Å; P134-L211 HydrophobicContact CB-CG 3.71Å; P134-L211 HydrophobicContact CG-CB 4.06Å; P134-L211 HydrophobicContact CG-CD2 3.64Å; P134-L211 HydrophobicContact CG-CG 4.09Å; E208-L211 PolarHBondContact O-N 3.21Å; A209-L211 VanDerWaalsContact C-N 3.34Å; A209-L211 PolarHBondContact O-N 3.35Å; L211-L213 PolarHBondContact O-N 3.3Å; L211-S214 PolarHBondContact O-N 3.49Å; L211-S214 PolarHBondContact O-OG 2.89Å; L211-R381 HydrophobicContact CD2-CB 4.4Å; L211-R381 HydrophobicContact CD2-CG 4.24Å
212	L	92.2	Very high	86.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58	-37.2	178.7	-77.7	174.9	0	0	0	112.4	L132 P134 P184 L206 D207 E208 A209 F230 I234	L132-L212 HydrophobicContact CB-CD1 4.23Å; P134-L212 HydrophobicContact CB-CD2 3.87Å; P134-L212 HydrophobicContact CB-CG 4.11Å; P134-L212 HydrophobicContact CG-CG 4.39Å; P184-L212 HydrophobicContact CG-CD2 3.62Å; L206-L212 HydrophobicContact CB-CD1 3.99Å; L206-L212 HydrophobicContact CD2-CD1 4.09Å; D207-L212 WeakPolarHBondContact O-CD1 3.42Å; E208-L212 PolarHBondContact O-N 2.99Å; E208-L212 VanDerWaalsContact O-N 3.15Å; A209-L212 PolarHBondContact O-N 3.19Å; L212-F230 HydrophobicContact CD2-CD2 4.4Å; L212-F230 WeakPolarHBondContact O-CB 3.46Å; L212-I234 HydrophobicContact CB-CD1 3.74Å; L212-I234 HydrophobicContact CD2-CD1 4.21Å; L212-I234 HydrophobicContact CG-CD1 4.48Å; L212-I234 VanDerWaalsContact O-CD1 3.27Å; L212-I234 WeakPolarHBondContact O-CD1 3.36Å
213	L	91.2	Very high	85.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-102.8	1	-176.6	-60.3	175.4	0	0	0	113.4	L206 A209 L211 I234 L258 L263 Y266	L206-L213 HydrophobicContact CD1-CD1 4.2Å; A209-L213 VanDerWaalsContact O-CB 3.3Å; A209-L213 WeakPolarHBondContact O-CB 3.46Å; A209-L213 WeakPolarHBondContact O-CG 3.45Å; A209-L213 PolarHBondContact O-N 2.51Å; L211-L213 PolarHBondContact O-N 3.3Å; L213-I234 HydrophobicContact CD2-CD1 3.89Å; L213-I234 HydrophobicContact CD2-CG2 4.29Å; L213-L258 HydrophobicContact CB-CD1 3.79Å; L213-L258 HydrophobicContact CD1-CD1 3.73Å; L213-L258 HydrophobicContact CG-CD1 4.42Å; L213-L263 HydrophobicContact CD1-CD2 3.49Å; L213-L263 VanDerWaalsContact CD1-CD2 3.49Å; L213-L263 HydrophobicContact CD1-CG 4.06Å; L213-Y266 HydrophobicContact CD1-CE2 4.45Å; L213-Y266 HydrophobicContact CD2-CE2 3.98Å
214	S	83.1	Confident	83.6	Confident	10 Å²	10	29.1 Å²	29.1	7%	0.07	17%	0.172	C	C	.	.	S	Bend	trans	-70.6	135	171.4	67.6	0	0	0	0	111	D210 L211 N228	D210-S214 WeakPolarHBondContact O-CB 3.43Å; D210-S214 PolarHBondContact O-N 3.03Å; L211-S214 PolarHBondContact O-N 3.49Å; L211-S214 PolarHBondContact O-OG 2.89Å; S214-N228 PolarHBondContact O-ND2 2.79Å
215	G	79.5	Confident	82.2	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.01	20%	0.195	C	C	.	.	S	Bend	trans	97.9	-156.7	175.6	0	0	0	0	0	114.8	A219 T222 S225	G215-A219 PolarHBondContact O-N 3.32Å; G215-T222 PolarHBondContact N-OG1 2.88Å; G215-S225 WeakPolarHBondContact CA-O 3.17Å
216	G	72.8	Confident	80.9	Confident	19 Å²	19	35.8 Å²	35.8	20%	0.196	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	65.7	-145.3	-173.3	0	0	0	0	0	113	D218 A219 S225	G216-D218 PolarHBondContact O-N 2.56Å; G216-A219 VanDerWaalsContact O-CB 3.27Å; G216-A219 WeakPolarHBondContact O-CB 3.45Å; G216-A219 PolarHBondContact O-N 2.85Å; G216-S225 PolarHBondContact N-O 3.3Å
217	T	74.3	Confident	79.7	Confident	91 Å²	91	42.9 Å²	42.9	56%	0.558	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.3	-31.9	177.8	57.9	0	0	0	0	112.2	A219	T217-A219 VanDerWaalsContact C-N 3.31Å; T217-A219 PolarHBondContact O-N 3.39Å
218	D	79.3	Confident	78.9	Confident	15 Å²	15	44.2 Å²	44.2	8%	0.08	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-96.4	17.2	-174.7	-59.9	-2.3	0	0	0	111	G216 K220 L221 T222 Y257 R265	G216-D218 PolarHBondContact O-N 2.56Å; D218-K220 PolarHBondContact O-N 3.17Å; D218-K220 VanDerWaalsContact O-N 3.12Å; D218-L221 PolarHBondContact O-N 2.89Å; D218-T222 HydrophobicContact CB-CG2 3.91Å; D218-T222 PolarHBondContact O-N 2.62Å; D218-T222 PolarHBondContact O-OG1 3.29Å; D218-Y257 HydrophobicContact CB-CE1 4.12Å; D218-Y257 VanDerWaalsContact CG-OH 3.25Å; D218-Y257 PolarHBondContact OD2-OH 3.41Å; D218-R265 IonicContact OD2-CZ 2.72Å; D218-R265 IonicContact OD2-NH1 3.8Å; D218-R265 PolarHBondContact OD2-NH1 3.47Å; D218-R265 IonicContact OD2-NH2 3.84Å
219	A	75.7	Confident	78.5	Confident	13 Å²	13	46 Å²	46	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-52	-38.7	-175.1	0	0	0	0	0	113.7	G215 G216 T217 L221 G223 G224 A226	G215-A219 PolarHBondContact O-N 3.32Å; G216-A219 VanDerWaalsContact O-CB 3.27Å; G216-A219 WeakPolarHBondContact O-CB 3.45Å; G216-A219 PolarHBondContact O-N 2.85Å; T217-A219 VanDerWaalsContact C-N 3.31Å; T217-A219 PolarHBondContact O-N 3.39Å; A219-L221 VanDerWaalsContact C-N 3.31Å; A219-L221 PolarHBondContact O-N 2.99Å; A219-G223 PolarHBondContact O-N 3.43Å; A219-G223 VanDerWaalsContact O-N 3.09Å; A219-G224 WeakPolarHBondContact CB-O 3.25Å; A219-G224 PolarHBondContact O-N 3.42Å; A219-A226 HydrophobicContact CB-CB 4.27Å
220	K	75.7	Confident	78.4	Confident	208 Å²	208	48.4 Å²	48.4	90%	0.904	30%	0.296	S	S	*	.	H	α-helix	trans	-67.1	-29	177.5	-69.7	-179	-179.6	175	0	113.5	D218	D218-K220 PolarHBondContact O-N 3.17Å; D218-K220 VanDerWaalsContact O-N 3.12Å
221	L	76.4	Confident	78.5	Confident	100 Å²	100	48.3 Å²	48.3	52%	0.524	30%	0.296	S	S	.	.	H	α-helix	trans	-97.4	-26.2	-175.2	-61.7	172.7	0	0	0	112.3	D218 A219 Y257	D218-L221 PolarHBondContact O-N 2.89Å; A219-L221 VanDerWaalsContact C-N 3.31Å; A219-L221 PolarHBondContact O-N 2.99Å; L221-Y257 HydrophobicContact CB-CD1 3.73Å; L221-Y257 HydrophobicContact CB-CD2 4.25Å; L221-Y257 HydrophobicContact CB-CE1 3.77Å; L221-Y257 HydrophobicContact CB-CE2 4.29Å; L221-Y257 HydrophobicContact CB-CG 3.99Å; L221-Y257 HydrophobicContact CD1-CD2 4.16Å; L221-Y257 HydrophobicContact CD1-CE1 4.26Å; L221-Y257 HydrophobicContact CD1-CE2 3.61Å
222	T	72.8	Confident	78.8	Confident	13 Å²	13	49.1 Å²	49.1	8%	0.08	31%	0.308	C	S	.	.	H	α-helix	trans	-100	-11	-176.8	57.3	0	0	0	0	113.6	G215 D218 Y257	G215-T222 PolarHBondContact N-OG1 2.88Å; D218-T222 HydrophobicContact CB-CG2 3.91Å; D218-T222 PolarHBondContact O-N 2.62Å; D218-T222 PolarHBondContact O-OG1 3.29Å; T222-Y257 HydrophobicContact CG2-CD1 3.87Å; T222-Y257 HydrophobicContact CG2-CE1 3.72Å
223	G	64.5	Low	79	Confident	42 Å²	42	49.8 Å²	49.8	43%	0.433	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	51.1	177.6	0	0	0	0	0	113.5	A219	A219-G223 PolarHBondContact O-N 3.43Å; A219-G223 VanDerWaalsContact O-N 3.09Å
224	G	67.3	Low	79.2	Confident	26 Å²	26	49.8 Å²	49.8	27%	0.268	31%	0.312	S	S	.	.	S	Bend	trans	-146	-174.3	-179.2	0	0	0	0	0	114.7	A219	A219-G224 WeakPolarHBondContact CB-O 3.25Å; A219-G224 PolarHBondContact O-N 3.42Å
225	S	70.1	Confident	79.8	Confident	71 Å²	71	52.1 Å²	52.1	50%	0.497	32%	0.323	S	S	.	.			trans	-84.5	135.4	175.6	-179.1	0	0	0	0	111.2	G215 G216 N227 N228	G215-S225 WeakPolarHBondContact CA-O 3.17Å; G216-S225 PolarHBondContact N-O 3.3Å; S225-N227 PolarHBondContact O-N 2.78Å; S225-N227 VanDerWaalsContact O-N 3.1Å; S225-N227 PolarHBondContact OG-N 2.72Å; S225-N228 WeakPolarHBondContact O-CB 3.49Å; S225-N228 PolarHBondContact O-N 3.33Å
226	A	71.2	Confident	80.6	Confident	70 Å²	70	56 Å²	56	58%	0.579	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22	171.5	0	0	0	0	0	112.7	A219 N228	A219-A226 HydrophobicContact CB-CB 4.27Å; A226-N228 VanDerWaalsContact C-N 3.33Å
227	N	72.5	Confident	81.9	Confident	149 Å²	149	55.1 Å²	55.1	80%	0.797	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	0.8	176.6	-63.8	-16.9	0	0	0	113.4	S225 A229	S225-N227 PolarHBondContact O-N 2.78Å; S225-N227 VanDerWaalsContact O-N 3.1Å; S225-N227 PolarHBondContact OG-N 2.72Å; N227-A229 PolarHBondContact O-N 3.38Å
228	N	79	Confident	83	Confident	33 Å²	33	52.2 Å²	52.2	18%	0.176	31%	0.308	C	S	.	.			trans	-70.2	114	174.1	-171.5	8.9	0	0	0	109.7	S214 S225 A226 F230 P231	S214-N228 PolarHBondContact O-ND2 2.79Å; S225-N228 WeakPolarHBondContact O-CB 3.49Å; S225-N228 PolarHBondContact O-N 3.33Å; A226-N228 VanDerWaalsContact C-N 3.33Å; N228-F230 VanDerWaalsContact C-N 3.3Å; N228-F230 WeakPolarHBondContact OD1-CB 3.45Å; N228-F230 WeakPolarHBondContact OD1-CD2 3.1Å; N228-F230 WeakPolarHBondContact OD1-CG 2.98Å; N228-F230 PolarHBondContact OD1-N 3.13Å; N228-F230 VanDerWaalsContact OD1-N 3.1Å; N228-P231 WeakPolarHBondContact O-CD 3.41Å
229	A	83.8	Confident	83.8	Confident	52 Å²	52	59.9 Å²	59.9	43%	0.43	34%	0.336	S	S	.	.			trans	-78.3	-12	179.3	0	0	0	0	0	113.4	N227 A232 D233	N227-A229 PolarHBondContact O-N 3.38Å; A229-A232 PolarHBondContact O-N 3.41Å; A229-A232 VanDerWaalsContact O-N 3.11Å; A229-D233 PolarHBondContact O-N 2.85Å
230	F	90.2	Very high	84.8	Confident	51 Å²	51	61 Å²	61	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-55.2	-45.6	-173.9	-63.6	-15.3	0	0	0	114.1	P134 P184 L212 N228 A232 D233 I234	P134-F230 HydrophobicContact CB-CE2 3.98Å; P134-F230 WeakPolarHBondContact O-CZ 3.5Å; P184-F230 HydrophobicContact CB-CD1 4.22Å; P184-F230 HydrophobicContact CG-CB 4.41Å; P184-F230 HydrophobicContact CG-CD1 4.11Å; P184-F230 HydrophobicContact CG-CG 4.22Å; L212-F230 HydrophobicContact CD2-CD2 4.4Å; L212-F230 WeakPolarHBondContact O-CB 3.46Å; N228-F230 VanDerWaalsContact C-N 3.3Å; N228-F230 WeakPolarHBondContact OD1-CB 3.45Å; N228-F230 WeakPolarHBondContact OD1-CD2 3.1Å; N228-F230 WeakPolarHBondContact OD1-CG 2.98Å; N228-F230 PolarHBondContact OD1-N 3.13Å; N228-F230 VanDerWaalsContact OD1-N 3.1Å; F230-A232 VanDerWaalsContact C-N 3.29Å; F230-A232 PolarHBondContact O-N 3.23Å; F230-D233 PolarHBondContact O-N 3.16Å; F230-D233 VanDerWaalsContact O-N 3.16Å; F230-I234 HydrophobicContact CB-CD1 4.27Å; F230-I234 WeakPolarHBondContact O-CB 3.36Å; F230-I234 WeakPolarHBondContact O-CD1 3.33Å; F230-I234 WeakPolarHBondContact O-CG1 2.92Å; F230-I234 PolarHBondContact O-N 3.2Å
231	P	91.3	Very high	85.9	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.071	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-39.1	178.7	-25.5	36	0	0	0	113	N228 N235	N228-P231 WeakPolarHBondContact O-CD 3.41Å; P231-N235 WeakPolarHBondContact O-CB 3.4Å; P231-N235 VanDerWaalsContact O-CG 3.26Å; P231-N235 PolarHBondContact O-N 3.27Å; P231-N235 PolarHBondContact O-ND2 2.87Å
232	A	91.7	Very high	86.9	Confident	56 Å²	56	48.1 Å²	48.1	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-68.3	-40.8	177	0	0	0	0	0	111.9	A229 F230 N235 Y236	A229-A232 PolarHBondContact O-N 3.41Å; A229-A232 VanDerWaalsContact O-N 3.11Å; F230-A232 VanDerWaalsContact C-N 3.29Å; F230-A232 PolarHBondContact O-N 3.23Å; A232-N235 PolarHBondContact O-N 3.32Å; A232-Y236 PolarHBondContact O-N 3.36Å
233	D	95.6	Very high	88	Confident	15 Å²	15	54.2 Å²	54.2	8%	0.08	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-42.5	176.3	-66.5	-16	0	0	0	111.8	P184 G185 R188 A229 F230 Y236 I237	P184-D233 HydrophobicContact CB-CB 3.74Å; G185-D233 WeakPolarHBondContact CA-OD2 3.43Å; R188-D233 HydrophobicContact CB-CB 4.31Å; R188-D233 WeakPolarHBondContact CD-OD1 3.47Å; R188-D233 IonicContact CZ-OD1 3.86Å; R188-D233 IonicContact NE-OD1 3.98Å; R188-D233 IonicContact NH1-OD1 2.71Å; R188-D233 PolarHBondContact NH1-OD1 3.17Å; A229-D233 PolarHBondContact O-N 2.85Å; F230-D233 PolarHBondContact O-N 3.16Å; F230-D233 VanDerWaalsContact O-N 3.16Å; D233-Y236 PolarHBondContact O-N 2.83Å; D233-I237 WeakPolarHBondContact O-CD1 3.23Å; D233-I237 WeakPolarHBondContact O-CG1 3.37Å; D233-I237 PolarHBondContact O-N 3.13Å
234	I	96.8	Very high	89.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.7	-43.2	176.6	-67.9	161.3	0	0	0	110.4	L132 P184 F204 L206 L212 L213 F230 Y236 I237 W238 Y266	L132-I234 HydrophobicContact CD1-CG1 3.97Å; P184-I234 HydrophobicContact CB-CG1 4.32Å; P184-I234 HydrophobicContact CG-CD1 4.49Å; P184-I234 HydrophobicContact CG-CG1 4.2Å; F204-I234 HydrophobicContact CE1-CG2 4.43Å; F204-I234 HydrophobicContact CZ-CG2 4.29Å; L206-I234 HydrophobicContact CD2-CG2 4.19Å; L212-I234 HydrophobicContact CB-CD1 3.74Å; L212-I234 HydrophobicContact CD2-CD1 4.21Å; L212-I234 HydrophobicContact CG-CD1 4.48Å; L212-I234 VanDerWaalsContact O-CD1 3.27Å; L212-I234 WeakPolarHBondContact O-CD1 3.36Å; L213-I234 HydrophobicContact CD2-CD1 3.89Å; L213-I234 HydrophobicContact CD2-CG2 4.29Å; F230-I234 HydrophobicContact CB-CD1 4.27Å; F230-I234 WeakPolarHBondContact O-CB 3.36Å; F230-I234 WeakPolarHBondContact O-CD1 3.33Å; F230-I234 WeakPolarHBondContact O-CG1 2.92Å; F230-I234 PolarHBondContact O-N 3.2Å; I234-Y236 PolarHBondContact O-N 3.47Å; I234-I237 PolarHBondContact O-N 2.85Å; I234-W238 VanDerWaalsContact O-CB 3.3Å; I234-W238 WeakPolarHBondContact O-CB 3.31Å; I234-W238 PolarHBondContact O-N 3.05Å; I234-Y266 HydrophobicContact CG2-CE1 4.19Å
235	N	95.3	Very high	90.9	Very high	59 Å²	59	56.8 Å²	56.8	32%	0.316	32%	0.317	S	S	.	.	H	α-helix	trans	-56.7	-49.1	173.5	-82.1	-26.6	0	0	0	111.4	P231 A232 I237 W238 W239 Y266	P231-N235 WeakPolarHBondContact O-CB 3.4Å; P231-N235 VanDerWaalsContact O-CG 3.26Å; P231-N235 PolarHBondContact O-N 3.27Å; P231-N235 PolarHBondContact O-ND2 2.87Å; A232-N235 PolarHBondContact O-N 3.32Å; N235-I237 PolarHBondContact O-N 2.77Å; N235-W238 PolarHBondContact O-N 3.04Å; N235-W239 PolarHBondContact O-N 3.1Å; N235-Y266 WeakPolarHBondContact OD1-CE1 3.21Å; N235-Y266 VanDerWaalsContact OD1-CZ 3.23Å; N235-Y266 PolarHBondContact OD1-OH 2.77Å
236	Y	97	Very high	92.3	Very high	82 Å²	82	54.3 Å²	54.3	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-47.3	177.8	-176	-82	0	0	0	111.8	R188 L191 E192 A232 D233 I234 W239 S240	R188-Y236 HydrophobicContact CG-CD1 3.8Å; R188-Y236 HydrophobicContact CG-CE1 4.35Å; R188-Y236 HydrophobicContact CG-CG 4.18Å; L191-Y236 HydrophobicContact CB-CE1 4.02Å; E192-Y236 HydrophobicContact CB-CE1 4.34Å; A232-Y236 PolarHBondContact O-N 3.36Å; D233-Y236 PolarHBondContact O-N 2.83Å; I234-Y236 PolarHBondContact O-N 3.47Å; Y236-W239 PolarHBondContact O-N 3.21Å; Y236-S240 WeakPolarHBondContact O-CB 3.18Å; Y236-S240 PolarHBondContact O-N 3.22Å; Y236-S240 PolarHBondContact O-OG 2.71Å
237	I	98.4	Very high	93.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.5	-52.6	178.1	-67.3	161.2	0	0	0	109.4	L132 P184 V187 R188 L191 F204 D233 I234 N235 W239 S240 L241	L132-I237 HydrophobicContact CD1-CD1 3.73Å; L132-I237 HydrophobicContact CD2-CD1 4.16Å; P184-I237 HydrophobicContact CB-CD1 4.44Å; V187-I237 HydrophobicContact CB-CD1 4.04Å; V187-I237 HydrophobicContact CG1-CD1 3.97Å; V187-I237 HydrophobicContact CG1-CG1 4.21Å; R188-I237 HydrophobicContact CB-CD1 4.33Å; R188-I237 HydrophobicContact CB-CG1 4.24Å; L191-I237 HydrophobicContact CD1-CB 4.14Å; L191-I237 HydrophobicContact CD1-CG1 3.71Å; L191-I237 HydrophobicContact CD1-CG2 4.13Å; F204-I237 HydrophobicContact CE2-CG2 3.81Å; F204-I237 HydrophobicContact CZ-CG2 4.16Å; D233-I237 WeakPolarHBondContact O-CD1 3.23Å; D233-I237 WeakPolarHBondContact O-CG1 3.37Å; D233-I237 PolarHBondContact O-N 3.13Å; I234-I237 PolarHBondContact O-N 2.85Å; N235-I237 PolarHBondContact O-N 2.77Å; I237-W239 PolarHBondContact O-N 3.32Å; I237-S240 CarbonylContact O-C 3.52Å; I237-S240 WeakPolarHBondContact O-CA 3.38Å; I237-S240 WeakPolarHBondContact O-CB 3.19Å; I237-S240 PolarHBondContact O-N 2.95Å; I237-L241 HydrophobicContact CG2-CD2 4.44Å; I237-L241 VanDerWaalsContact O-CG 3.3Å; I237-L241 WeakPolarHBondContact O-CG 3.23Å; I237-L241 PolarHBondContact O-N 2.94Å
238	W	97.6	Very high	94.8	Very high	31 Å²	31	43.9 Å²	43.9	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-43.2	-176.9	-176.2	96.6	0	0	0	112.8	F204 I234 N235 S240 L241 K245 Y266	F204-W238 HydrophobicContact CE1-CB 4.48Å; I234-W238 VanDerWaalsContact O-CB 3.3Å; I234-W238 WeakPolarHBondContact O-CB 3.31Å; I234-W238 PolarHBondContact O-N 3.05Å; N235-W238 PolarHBondContact O-N 3.04Å; W238-S240 VanDerWaalsContact C-N 3.26Å; W238-S240 PolarHBondContact O-N 3.41Å; W238-L241 WeakPolarHBondContact O-CB 3.44Å; W238-L241 PolarHBondContact O-N 3.46Å; W238-L241 VanDerWaalsContact O-N 3.12Å; W238-K245 VanDerWaalsContact NE1-CE 3.34Å; W238-Y266 HydrophobicContact CB-CD1 4.19Å; W238-Y266 HydrophobicContact CB-CE1 4.43Å; W238-Y266 AromaticContact CD1-CD1 3.66Å; W238-Y266 HydrophobicContact CD2-CD1 4.15Å; W238-Y266 AromaticContact CG-CD1 3.76Å; W238-Y266 HydrophobicContact CG-CD1 3.76Å; W238-Y266 HydrophobicContact CG-CE1 4.42Å; W238-Y266 AromaticContact NE1-CD1 3.97Å; W238-Y266 PolarHBondContact NE1-O 3.01Å
239	W	96.6	Very high	95.7	Very high	175 Å²	175	42.3 Å²	42.3	66%	0.663	22%	0.224	S	C	*	.	H	α-helix	trans	-68.6	-24.5	175.7	-80.3	113.6	0	0	0	113.4	N235 Y236 I237 L241	N235-W239 PolarHBondContact O-N 3.1Å; Y236-W239 PolarHBondContact O-N 3.21Å; I237-W239 PolarHBondContact O-N 3.32Å; W239-L241 VanDerWaalsContact C-N 3.28Å
240	S	97.7	Very high	96.3	Very high	37 Å²	37	39.9 Å²	39.9	26%	0.259	20%	0.204	S	C	.	.	H	α-helix	trans	-79.6	-11	173.6	-54.9	0	0	0	0	112.7	T198 Y236 I237 W238	T198-S240 WeakPolarHBondContact CB-O 3.05Å; T198-S240 PolarHBondContact OG1-O 2.8Å; Y236-S240 WeakPolarHBondContact O-CB 3.18Å; Y236-S240 PolarHBondContact O-N 3.22Å; Y236-S240 PolarHBondContact O-OG 2.71Å; I237-S240 CarbonylContact O-C 3.52Å; I237-S240 WeakPolarHBondContact O-CA 3.38Å; I237-S240 WeakPolarHBondContact O-CB 3.19Å; I237-S240 PolarHBondContact O-N 2.95Å; W238-S240 VanDerWaalsContact C-N 3.26Å; W238-S240 PolarHBondContact O-N 3.41Å
241	L	98.1	Very high	96.3	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.042	19%	0.193	C	C	.	.	S	Bend	trans	-88.4	155.1	178.4	-53.7	-170.8	0	0	0	111.7	I130 T198 V201 F204 I237 W238 W239 K245	I130-L241 HydrophobicContact CD1-CD2 3.76Å; T198-L241 HydrophobicContact CG2-CD2 3.59Å; V201-L241 HydrophobicContact CB-CD2 4.33Å; V201-L241 HydrophobicContact CG1-CD1 4.15Å; V201-L241 HydrophobicContact CG1-CD2 4.14Å; F204-L241 HydrophobicContact CB-CD1 3.85Å; F204-L241 HydrophobicContact CD1-CD1 4.4Å; F204-L241 HydrophobicContact CD2-CD1 3.69Å; F204-L241 HydrophobicContact CE2-CD1 4.3Å; F204-L241 HydrophobicContact CG-CD1 3.73Å; I237-L241 HydrophobicContact CG2-CD2 4.44Å; I237-L241 VanDerWaalsContact O-CG 3.3Å; I237-L241 WeakPolarHBondContact O-CG 3.23Å; I237-L241 PolarHBondContact O-N 2.94Å; W238-L241 WeakPolarHBondContact O-CB 3.44Å; W238-L241 PolarHBondContact O-N 3.46Å; W238-L241 VanDerWaalsContact O-N 3.12Å; W239-L241 VanDerWaalsContact C-N 3.28Å; L241-K245 HydrophobicContact CB-CD 3.73Å; L241-K245 HydrophobicContact CD1-CD 3.92Å; L241-K245 HydrophobicContact CG-CD 4.46Å
242	P	97.8	Very high	96	Very high	29 Å²	29	36.9 Å²	36.9	19%	0.188	19%	0.19	C	C	.	.			trans	-52.9	149.8	171.1	-28.6	38.1	0	0	0	112.8	T198 E199 V201 K245	T198-P242 WeakPolarHBondContact O-CD 3.16Å; T198-P242 VanDerWaalsContact O-CG 3.29Å; T198-P242 WeakPolarHBondContact O-CG 2.85Å; E199-P242 WeakPolarHBondContact O-CG 3.34Å; V201-P242 WeakPolarHBondContact O-CG 3.25Å; P242-K245 VanDerWaalsContact O-CD 3.3Å; P242-K245 WeakPolarHBondContact O-CD 3.27Å; P242-K245 PolarHBondContact O-NZ 2.85Å
243	Q	95.1	Very high	95.6	Very high	141 Å²	141	35.1 Å²	35.1	66%	0.659	17%	0.173	S	C	*	.	S	Bend	trans	-62.3	-47.9	178.5	-70.2	-63.3	-32.6	0	0	111.5	K245	Q243-K245 PolarHBondContact O-N 3.45Å; Q243-K245 VanDerWaalsContact O-N 3.17Å
244	S	96	Very high	95.1	Very high	95 Å²	95	35.5 Å²	35.5	66%	0.664	17%	0.174	S	C	*	.	S	Bend	trans	-78.5	97.7	175.7	-178	0	0	0	0	110.5	R202	R202-S244 WeakPolarHBondContact CD-O 3.44Å
245	K	97.7	Very high	94.5	Very high	28 Å²	28	38.1 Å²	38.1	12%	0.122	19%	0.19	C	C	.	.			trans	-150	150.2	176.5	59.5	-174.9	173.7	-67.2	0	110	R202 W238 L241 P242 Q243 V247	R202-K245 CarbonylContact O-C 3.55Å; R202-K245 WeakPolarHBondContact O-CA 3.37Å; W238-K245 VanDerWaalsContact NE1-CE 3.34Å; L241-K245 HydrophobicContact CB-CD 3.73Å; L241-K245 HydrophobicContact CD1-CD 3.92Å; L241-K245 HydrophobicContact CG-CD 4.46Å; P242-K245 VanDerWaalsContact O-CD 3.3Å; P242-K245 WeakPolarHBondContact O-CD 3.27Å; P242-K245 PolarHBondContact O-NZ 2.85Å; Q243-K245 PolarHBondContact O-N 3.45Å; Q243-K245 VanDerWaalsContact O-N 3.17Å; K245-V247 HydrophobicContact CG-CG2 4.42Å
246	Q	98.5	Very high	94.1	Very high	18 Å²	18	40.6 Å²	40.6	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.4	169	-176.6	-172.2	22.4	0	0	109.5	G92 M96 D97 R202 Q203 F204 L248	G92-Q246 PolarHBondContact O-NE2 3.38Å; M96-Q246 PolarHBondContact O-NE2 3.37Å; D97-Q246 WeakPolarHBondContact OD1-CA 3.46Å; R202-Q246 PolarHBondContact O-N 3.14Å; Q203-Q246 CarbonylContact C-O 3.49Å; Q203-Q246 WeakPolarHBondContact CA-O 3.49Å; Q203-Q246 HydrophobicContact CG-CB 4.24Å; F204-Q246 PolarHBondContact N-O 2.84Å; Q246-L248 HydrophobicContact CG-CD1 3.82Å
247	V	98.6	Very high	93.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.9	178.2	-174.1	0	0	0	0	111.2	D97 L98 F204 K245 Y266 M267	D97-V247 CarbonylContact C-O 3.39Å; D97-V247 WeakPolarHBondContact CA-O 3.44Å; D97-V247 PolarHBondContact OD1-N 2.88Å; L98-V247 PolarHBondContact N-O 2.82Å; F204-V247 HydrophobicContact CB-CG2 4.4Å; F204-V247 HydrophobicContact CD1-CG1 4.2Å; F204-V247 HydrophobicContact CD1-CG2 4.45Å; F204-V247 CarbonylContact O-C 3.51Å; F204-V247 VanDerWaalsContact O-CA 3.26Å; F204-V247 WeakPolarHBondContact O-CA 3.28Å; K245-V247 HydrophobicContact CG-CG2 4.42Å; V247-Y266 WeakPolarHBondContact CG2-O 3.45Å; V247-M267 HydrophobicContact CB-CE 4.13Å; V247-M267 HydrophobicContact CB-CG 4.07Å; V247-M267 HydrophobicContact CG1-CE 4Å; V247-M267 HydrophobicContact CG1-CG 3.88Å; V247-M267 HydrophobicContact CG1-SD 4.49Å; V247-M267 WeakPolarHBondContact O-CE 3.3Å
248	L	98.7	Very high	93.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.1	174.4	-64.3	81.9	0	0	0	109.3	L98 F112 V115 F204 V205 L206 Q246 L250	L98-L248 HydrophobicContact CB-CG 4.28Å; L98-L248 HydrophobicContact CD1-CD2 4.03Å; L98-L248 HydrophobicContact CD1-CG 4.42Å; L98-L248 HydrophobicContact CG-CG 4.47Å; L98-L248 WeakPolarHBondContact O-CA 3.46Å; F112-L248 HydrophobicContact CB-CD2 4.14Å; V115-L248 HydrophobicContact CB-CD2 4.2Å; V115-L248 HydrophobicContact CG1-CD1 4.36Å; V115-L248 HydrophobicContact CG1-CD2 3.99Å; V115-L248 HydrophobicContact CG2-CD2 4.38Å; F204-L248 PolarHBondContact O-N 3.17Å; V205-L248 CarbonylContact C-O 3.55Å; V205-L248 VanDerWaalsContact CA-O 3.3Å; V205-L248 WeakPolarHBondContact CA-O 3.44Å; V205-L248 HydrophobicContact CG1-CB 4.38Å; V205-L248 HydrophobicContact CG2-CB 4.22Å; V205-L248 HydrophobicContact CG2-CD1 4.29Å; L206-L248 PolarHBondContact N-O 3.46Å; Q246-L248 HydrophobicContact CG-CD1 3.82Å; L248-L250 HydrophobicContact CB-CD1 3.9Å
249	A	98	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.9	171.9	0	0	0	0	0	109.2	L98 I99 V100 L206 A209 Y254 L263 M267	L98-A249 PolarHBondContact O-N 2.64Å; I99-A249 WeakPolarHBondContact CA-O 3.22Å; V100-A249 PolarHBondContact N-O 3.12Å; L206-A249 HydrophobicContact CB-CB 4.43Å; A209-A249 HydrophobicContact CB-CB 3.99Å; A249-Y254 PolarHBondContact O-OH 2.94Å; A249-L263 HydrophobicContact CB-CD1 4.11Å; A249-L263 HydrophobicContact CB-CD2 3.65Å; A249-M267 HydrophobicContact CB-CE 4.33Å; A249-M267 HydrophobicContact CB-SD 4.35Å
250	L	96	Very high	92.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133	-178.7	-58.7	94.3	0	0	0	110.4	V100 K108 V111 F112 V205 L206 E208 A209 L248 Y254	V100-L250 HydrophobicContact CB-CB 4.46Å; V100-L250 HydrophobicContact CB-CD2 3.98Å; V100-L250 HydrophobicContact CB-CG 3.92Å; V100-L250 HydrophobicContact CG1-CD2 4.25Å; V100-L250 HydrophobicContact CG2-CD2 4.24Å; V100-L250 HydrophobicContact CG2-CG 4.24Å; V100-L250 WeakPolarHBondContact O-CA 3.34Å; K108-L250 HydrophobicContact CB-CD2 3.97Å; K108-L250 HydrophobicContact CD-CB 4.34Å; K108-L250 WeakPolarHBondContact O-CD2 3.42Å; V111-L250 HydrophobicContact CB-CD2 4.18Å; V111-L250 HydrophobicContact CG1-CD2 4.41Å; F112-L250 HydrophobicContact CB-CD1 4.15Å; F112-L250 HydrophobicContact CD1-CD1 3.79Å; F112-L250 HydrophobicContact CD1-CD2 4.02Å; F112-L250 HydrophobicContact CD1-CG 4.47Å; F112-L250 HydrophobicContact CG-CD1 4.42Å; V205-L250 HydrophobicContact CG1-CD1 3.8Å; L206-L250 PolarHBondContact O-N 2.9Å; E208-L250 WeakPolarHBondContact CA-O 3.23Å; E208-L250 PolarHBondContact N-O 2.69Å; A209-L250 PolarHBondContact N-O 2.89Å; L248-L250 HydrophobicContact CB-CD1 3.9Å; L250-Y254 VanDerWaalsContact C-OH 3.28Å; L250-Y254 WeakPolarHBondContact CA-OH 3.47Å; L250-Y254 PolarHBondContact N-OH 3.37Å
251	S	90.5	Very high	92.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.2	172.1	-174.8	0	0	0	0	112.4	V100 Q101 A102 D210 T253 Y254	V100-S251 PolarHBondContact O-N 3.47Å; Q101-S251 WeakPolarHBondContact CA-O 3.45Å; A102-S251 PolarHBondContact N-O 2.95Å; D210-S251 WeakPolarHBondContact OD1-CB 3.48Å; D210-S251 PolarHBondContact OD1-OG 3.42Å; D210-S251 PolarHBondContact OD2-OG 2.96Å; S251-T253 VanDerWaalsContact CB-O 3.27Å; S251-T253 WeakPolarHBondContact CB-O 3.22Å; S251-T253 PolarHBondContact OG-N 3.47Å; S251-T253 VanDerWaalsContact OG-N 3.15Å; S251-T253 PolarHBondContact OG-O 3.08Å; S251-Y254 PolarHBondContact N-OH 2.91Å
252	A	84.1	Confident	92	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-72.6	-32.7	164.8	0	0	0	0	0	112.7	A102	A102-A252 VanDerWaalsContact O-CA 3.28Å; A102-A252 WeakPolarHBondContact O-CA 3.5Å
253	T	82.6	Confident	91.8	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.117	17%	0.173	C	C	.	.			trans	-130.9	149.1	-174.7	74.6	0	0	0	0	110.8	D210 S251 V404	D210-T253 PolarHBondContact OD2-OG1 3.19Å; S251-T253 VanDerWaalsContact CB-O 3.27Å; S251-T253 WeakPolarHBondContact CB-O 3.22Å; S251-T253 PolarHBondContact OG-N 3.47Å; S251-T253 VanDerWaalsContact OG-N 3.15Å; S251-T253 PolarHBondContact OG-O 3.08Å; T253-V404 HydrophobicContact CG2-CG1 4.15Å
254	Y	85.7	Confident	91.7	Very high	22 Å²	22	28.9 Å²	28.9	9%	0.086	16%	0.159	C	C	.	.			trans	-145.1	131.3	174.7	-82.9	-67.9	0	0	0	108.6	I99 Q101 A209 A249 L250 S251 L258 V259 L263	I99-Y254 HydrophobicContact CG2-CD2 4.3Å; I99-Y254 HydrophobicContact CG2-CE1 4.33Å; I99-Y254 HydrophobicContact CG2-CE2 3.87Å; Q101-Y254 HydrophobicContact CB-CD2 3.73Å; Q101-Y254 HydrophobicContact CB-CE2 4.08Å; Q101-Y254 HydrophobicContact CG-CD2 3.76Å; Q101-Y254 HydrophobicContact CG-CE2 4.42Å; A209-Y254 HydrophobicContact CB-CE1 4.17Å; A249-Y254 PolarHBondContact O-OH 2.94Å; L250-Y254 VanDerWaalsContact C-OH 3.28Å; L250-Y254 WeakPolarHBondContact CA-OH 3.47Å; L250-Y254 PolarHBondContact N-OH 3.37Å; S251-Y254 PolarHBondContact N-OH 2.91Å; Y254-L258 HydrophobicContact CD1-CB 4.48Å; Y254-L258 HydrophobicContact CD1-CD2 3.57Å; Y254-L258 HydrophobicContact CD1-CG 3.9Å; Y254-L258 HydrophobicContact CE1-CD2 3.9Å; Y254-L258 HydrophobicContact CE1-CG 4.27Å; Y254-V259 HydrophobicContact CD1-CG2 3.67Å; Y254-V259 HydrophobicContact CD2-CG2 4.47Å; Y254-V259 HydrophobicContact CG-CG2 3.64Å; Y254-L263 HydrophobicContact CD1-CD1 4.17Å; Y254-L263 HydrophobicContact CE1-CD1 3.61Å
255	T	84.3	Confident	91.6	Very high	56 Å²	56	29.9 Å²	29.9	34%	0.344	15%	0.149	S	C	.	.			trans	-79.8	155.1	164.6	65.3	0	0	0	0	109.6	Y257 L258 V259	T255-Y257 VanDerWaalsContact C-N 3.25Å; T255-Y257 PolarHBondContact O-N 2.92Å; T255-L258 PolarHBondContact O-N 3.44Å; T255-L258 VanDerWaalsContact O-N 3.16Å; T255-L258 WeakPolarHBondContact OG1-CB 3.4Å; T255-L258 PolarHBondContact OG1-N 3.19Å; T255-V259 PolarHBondContact O-N 3.29Å
256	D	86.8	Confident	91.4	Very high	111 Å²	111	29 Å²	29	59%	0.594	15%	0.145	S	C	*	.	H	α-helix	trans	-60.5	-38.1	176.4	-70.7	-32.1	0	0	0	111.5	L258 V259 N260	D256-L258 PolarHBondContact O-N 3.41Å; D256-V259 PolarHBondContact O-N 2.88Å; D256-N260 VanDerWaalsContact O-CB 3.29Å; D256-N260 WeakPolarHBondContact O-CB 3.07Å; D256-N260 VanDerWaalsContact O-CG 3.31Å; D256-N260 PolarHBondContact O-N 3.45Å; D256-N260 PolarHBondContact O-ND2 3.3Å
257	Y	89.6	Confident	91.3	Very high	49 Å²	49	29 Å²	29	19%	0.192	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-45.5	174	177.9	-98.8	0	0	0	112.1	D218 L221 T222 T255 V259 E261 H262 R265	D218-Y257 HydrophobicContact CB-CE1 4.12Å; D218-Y257 VanDerWaalsContact CG-OH 3.25Å; D218-Y257 PolarHBondContact OD2-OH 3.41Å; L221-Y257 HydrophobicContact CB-CD1 3.73Å; L221-Y257 HydrophobicContact CB-CD2 4.25Å; L221-Y257 HydrophobicContact CB-CE1 3.77Å; L221-Y257 HydrophobicContact CB-CE2 4.29Å; L221-Y257 HydrophobicContact CB-CG 3.99Å; L221-Y257 HydrophobicContact CD1-CD2 4.16Å; L221-Y257 HydrophobicContact CD1-CE1 4.26Å; L221-Y257 HydrophobicContact CD1-CE2 3.61Å; T222-Y257 HydrophobicContact CG2-CD1 3.87Å; T222-Y257 HydrophobicContact CG2-CE1 3.72Å; T255-Y257 VanDerWaalsContact C-N 3.25Å; T255-Y257 PolarHBondContact O-N 2.92Å; Y257-V259 VanDerWaalsContact C-N 3.27Å; Y257-V259 PolarHBondContact O-N 2.88Å; Y257-E261 HydrophobicContact CD2-CB 3.75Å; Y257-E261 HydrophobicContact CD2-CG 3.79Å; Y257-E261 HydrophobicContact CE2-CB 3.65Å; Y257-E261 HydrophobicContact CE2-CG 4.05Å; Y257-E261 HydrophobicContact CG-CB 4.44Å; Y257-E261 WeakPolarHBondContact O-CB 3.36Å; Y257-E261 PolarHBondContact O-N 3.02Å; Y257-H262 HydrophobicContact CD1-CB 4.43Å; Y257-H262 HydrophobicContact CE1-CB 4Å; Y257-H262 PolarHBondContact O-N 3.3Å; Y257-H262 VanDerWaalsContact O-N 3.13Å; Y257-R265 PolarHBondContact OH-NH2 3.36Å
258	L	89.7	Confident	91.1	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	18%	0.179	C	C	.	.	I	π-helix	trans	-62.2	-37.7	-178.6	-177.8	56.9	0	0	0	111.8	D210 L213 Y254 T255 D256 H262 L263	D210-L258 HydrophobicContact CB-CD2 3.96Å; L213-L258 HydrophobicContact CB-CD1 3.79Å; L213-L258 HydrophobicContact CD1-CD1 3.73Å; L213-L258 HydrophobicContact CG-CD1 4.42Å; Y254-L258 HydrophobicContact CD1-CB 4.48Å; Y254-L258 HydrophobicContact CD1-CD2 3.57Å; Y254-L258 HydrophobicContact CD1-CG 3.9Å; Y254-L258 HydrophobicContact CE1-CD2 3.9Å; Y254-L258 HydrophobicContact CE1-CG 4.27Å; T255-L258 PolarHBondContact O-N 3.44Å; T255-L258 VanDerWaalsContact O-N 3.16Å; T255-L258 WeakPolarHBondContact OG1-CB 3.4Å; T255-L258 PolarHBondContact OG1-N 3.19Å; D256-L258 PolarHBondContact O-N 3.41Å; L258-H262 HydrophobicContact CD1-CB 4.04Å; L258-L263 HydrophobicContact CD1-CG 4.12Å; L258-L263 HydrophobicContact CG-CD1 4.18Å; L258-L263 HydrophobicContact CG-CG 4.32Å; L258-L263 VanDerWaalsContact O-CB 3.26Å; L258-L263 WeakPolarHBondContact O-CB 3.43Å; L258-L263 WeakPolarHBondContact O-CG 3.37Å; L258-L263 PolarHBondContact O-N 2.88Å
259	V	91	Very high	90.8	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	21%	0.214	C	C	.	.	I	π-helix	trans	-82.7	-40.4	-177.4	175.7	0	0	0	0	112.7	I99 Y254 T255 D256 Y257 P264 I272	I99-V259 HydrophobicContact CD1-CG1 4.13Å; I99-V259 HydrophobicContact CG2-CG2 4.3Å; Y254-V259 HydrophobicContact CD1-CG2 3.67Å; Y254-V259 HydrophobicContact CD2-CG2 4.47Å; Y254-V259 HydrophobicContact CG-CG2 3.64Å; T255-V259 PolarHBondContact O-N 3.29Å; D256-V259 PolarHBondContact O-N 2.88Å; Y257-V259 VanDerWaalsContact C-N 3.27Å; Y257-V259 PolarHBondContact O-N 2.88Å; V259-P264 VanDerWaalsContact O-CD 3.28Å; V259-P264 WeakPolarHBondContact O-CD 3.11Å; V259-P264 WeakPolarHBondContact O-CG 3.38Å; V259-I272 HydrophobicContact CG1-CD1 3.94Å
260	N	90.9	Very high	90.7	Very high	90 Å²	90	43.2 Å²	43.2	48%	0.481	22%	0.222	S	C	.	.	I	π-helix	trans	-91.7	-26	-171.8	-59.9	-27.5	0	0	0	113.2	D256	D256-N260 VanDerWaalsContact O-CB 3.29Å; D256-N260 WeakPolarHBondContact O-CB 3.07Å; D256-N260 VanDerWaalsContact O-CG 3.31Å; D256-N260 PolarHBondContact O-N 3.45Å; D256-N260 PolarHBondContact O-ND2 3.3Å
261	E	89.9	Confident	90.6	Very high	46 Å²	46	44.1 Å²	44.1	22%	0.215	23%	0.23	C	C	.	.	I	π-helix	trans	-121.6	-39.9	-170.8	-53.2	-58.5	149.4	0	0	113.3	Y257 R265 Y716	Y257-E261 HydrophobicContact CD2-CB 3.75Å; Y257-E261 HydrophobicContact CD2-CG 3.79Å; Y257-E261 HydrophobicContact CE2-CB 3.65Å; Y257-E261 HydrophobicContact CE2-CG 4.05Å; Y257-E261 HydrophobicContact CG-CB 4.44Å; Y257-E261 WeakPolarHBondContact O-CB 3.36Å; Y257-E261 PolarHBondContact O-N 3.02Å; E261-R265 PolarHBondContact O-NE 2.61Å; E261-Y716 WeakPolarHBondContact OE2-CE1 3Å; E261-Y716 VanDerWaalsContact OE2-CZ 3.24Å; E261-Y716 PolarHBondContact OE2-OH 3.5Å
262	H	90.3	Very high	90.8	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.028	25%	0.251	C	S	.	.	I	π-helix	trans	-91.7	-53.8	-171.9	-165.7	-172.4	0	0	0	113.2	Y257 L258 P264 R265 Y266	Y257-H262 HydrophobicContact CD1-CB 4.43Å; Y257-H262 HydrophobicContact CE1-CB 4Å; Y257-H262 PolarHBondContact O-N 3.3Å; Y257-H262 VanDerWaalsContact O-N 3.13Å; L258-H262 HydrophobicContact CD1-CB 4.04Å; H262-P264 VanDerWaalsContact C-CD 3.49Å; H262-R265 VanDerWaalsContact O-CB 3.3Å; H262-R265 WeakPolarHBondContact O-CB 3.48Å; H262-R265 WeakPolarHBondContact O-CG 3.46Å; H262-R265 PolarHBondContact O-N 2.89Å; H262-Y266 AromaticContact CD2-CE2 3.96Å; H262-Y266 AromaticContact NE2-CE2 3.96Å
263	L	93.7	Very high	91.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.3	-38.5	178	-80.8	169.2	0	0	0	114.2	I99 L206 L213 A249 Y254 L258 R265 Y266 M267	I99-L263 HydrophobicContact CD1-CB 4.11Å; I99-L263 HydrophobicContact CD1-CD1 3.88Å; I99-L263 HydrophobicContact CG1-CD1 4.08Å; I99-L263 HydrophobicContact CG2-CD1 4.27Å; L206-L263 HydrophobicContact CD1-CD2 4.31Å; L213-L263 HydrophobicContact CD1-CD2 3.49Å; L213-L263 VanDerWaalsContact CD1-CD2 3.49Å; L213-L263 HydrophobicContact CD1-CG 4.06Å; A249-L263 HydrophobicContact CB-CD1 4.11Å; A249-L263 HydrophobicContact CB-CD2 3.65Å; Y254-L263 HydrophobicContact CD1-CD1 4.17Å; Y254-L263 HydrophobicContact CE1-CD1 3.61Å; L258-L263 HydrophobicContact CD1-CG 4.12Å; L258-L263 HydrophobicContact CG-CD1 4.18Å; L258-L263 HydrophobicContact CG-CG 4.32Å; L258-L263 VanDerWaalsContact O-CB 3.26Å; L258-L263 WeakPolarHBondContact O-CB 3.43Å; L258-L263 WeakPolarHBondContact O-CG 3.37Å; L258-L263 PolarHBondContact O-N 2.88Å; L263-R265 PolarHBondContact O-N 3.16Å; L263-Y266 PolarHBondContact O-N 3.37Å; L263-M267 HydrophobicContact CB-SD 4.11Å; L263-M267 HydrophobicContact CD2-SD 4.16Å; L263-M267 WeakPolarHBondContact O-CG 3.29Å; L263-M267 PolarHBondContact O-N 3.19Å
264	P	93.3	Very high	91.2	Very high	56 Å²	56	52.6 Å²	52.6	36%	0.364	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-58.6	-16.5	176.8	-29.2	39.4	0	0	0	114.5	V259 H262 Y266	V259-P264 VanDerWaalsContact O-CD 3.28Å; V259-P264 WeakPolarHBondContact O-CD 3.11Å; V259-P264 WeakPolarHBondContact O-CG 3.38Å; H262-P264 VanDerWaalsContact C-CD 3.49Å; P264-Y266 PolarHBondContact O-N 3.13Å
265	R	93	Very high	90.5	Very high	116 Å²	116	54 Å²	54	44%	0.438	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-67.6	-22.7	172.3	-56.4	179.6	-171.5	164.9	-3.3	113	D218 Y257 E261 H262 L263	D218-R265 IonicContact OD2-CZ 2.72Å; D218-R265 IonicContact OD2-NH1 3.8Å; D218-R265 PolarHBondContact OD2-NH1 3.47Å; D218-R265 IonicContact OD2-NH2 3.84Å; Y257-R265 PolarHBondContact OH-NH2 3.36Å; E261-R265 PolarHBondContact O-NE 2.61Å; H262-R265 VanDerWaalsContact O-CB 3.3Å; H262-R265 WeakPolarHBondContact O-CB 3.48Å; H262-R265 WeakPolarHBondContact O-CG 3.46Å; H262-R265 PolarHBondContact O-N 2.89Å; L263-R265 PolarHBondContact O-N 3.16Å
266	Y	94.6	Very high	89.6	Confident	10 Å²	10	52.7 Å²	52.7	4%	0.039	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-14.6	-177.2	-58	-74.9	0	0	0	113.7	L213 I234 N235 W238 V247 H262 L263 P264	L213-Y266 HydrophobicContact CD1-CE2 4.45Å; L213-Y266 HydrophobicContact CD2-CE2 3.98Å; I234-Y266 HydrophobicContact CG2-CE1 4.19Å; N235-Y266 WeakPolarHBondContact OD1-CE1 3.21Å; N235-Y266 VanDerWaalsContact OD1-CZ 3.23Å; N235-Y266 PolarHBondContact OD1-OH 2.77Å; W238-Y266 HydrophobicContact CB-CD1 4.19Å; W238-Y266 HydrophobicContact CB-CE1 4.43Å; W238-Y266 AromaticContact CD1-CD1 3.66Å; W238-Y266 HydrophobicContact CD2-CD1 4.15Å; W238-Y266 AromaticContact CG-CD1 3.76Å; W238-Y266 HydrophobicContact CG-CD1 3.76Å; W238-Y266 HydrophobicContact CG-CE1 4.42Å; W238-Y266 AromaticContact NE1-CD1 3.97Å; W238-Y266 PolarHBondContact NE1-O 3.01Å; V247-Y266 WeakPolarHBondContact CG2-O 3.45Å; H262-Y266 AromaticContact CD2-CE2 3.96Å; H262-Y266 AromaticContact NE2-CE2 3.96Å; L263-Y266 PolarHBondContact O-N 3.37Å; P264-Y266 PolarHBondContact O-N 3.13Å
267	M	96.5	Very high	88	Confident	17 Å²	17	54.8 Å²	54.8	8%	0.084	29%	0.287	C	S	.	.			trans	-125.1	151.3	-163.2	-53.9	-176.7	88.4	0	0	111.4	D97 L98 I99 V247 A249 L263 P270	D97-M267 HydrophobicContact CB-CB 4.27Å; D97-M267 HydrophobicContact CB-CE 3.91Å; D97-M267 WeakPolarHBondContact OD2-CA 3.43Å; D97-M267 WeakPolarHBondContact OD2-CB 3.48Å; L98-M267 WeakPolarHBondContact O-CE 3.43Å; I99-M267 HydrophobicContact CD1-SD 4.07Å; I99-M267 HydrophobicContact CG1-CE 4.02Å; I99-M267 HydrophobicContact CG1-SD 3.7Å; V247-M267 HydrophobicContact CB-CE 4.13Å; V247-M267 HydrophobicContact CB-CG 4.07Å; V247-M267 HydrophobicContact CG1-CE 4Å; V247-M267 HydrophobicContact CG1-CG 3.88Å; V247-M267 HydrophobicContact CG1-SD 4.49Å; V247-M267 WeakPolarHBondContact O-CE 3.3Å; A249-M267 HydrophobicContact CB-CE 4.33Å; A249-M267 HydrophobicContact CB-SD 4.35Å; L263-M267 HydrophobicContact CB-SD 4.11Å; L263-M267 HydrophobicContact CD2-SD 4.16Å; L263-M267 WeakPolarHBondContact O-CG 3.29Å; L263-M267 PolarHBondContact O-N 3.19Å; M267-P270 HydrophobicContact CB-CB 4.26Å; M267-P270 HydrophobicContact CB-CG 4.17Å; M267-P270 HydrophobicContact CE-CB 3.94Å; M267-P270 HydrophobicContact SD-CB 4.1Å; M267-P270 HydrophobicContact SD-CG 4.34Å
268	N	93.4	Very high	86.5	Confident	137 Å²	137	61 Å²	61	73%	0.733	31%	0.314	S	S	*	.	S	Bend	trans	-110.5	108.1	176.2	-176.7	32.4	0	0	0	110.4	D97	D97-N268 PolarHBondContact OD2-N 3.42Å
269	D	93.1	Very high	85	Confident	136 Å²	136	63.2 Å²	63.2	73%	0.727	33%	0.327	S	S	*	.	S	Bend	trans	43.6	63.9	179.7	-168.6	33.1	0	0	0	114
270	P	96	Very high	83.5	Confident	27 Å²	27	63.3 Å²	63.3	18%	0.175	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-72.5	135.6	-171.5	29.2	-34.8	0	0	0	112.7	D97 I99 M267	D97-P270 HydrophobicContact CB-CB 3.96Å; D97-P270 CarbonylContact O-C 3.49Å; D97-P270 VanDerWaalsContact O-CA 3.26Å; D97-P270 WeakPolarHBondContact O-CA 3.35Å; I99-P270 HydrophobicContact CD1-CB 4.16Å; I99-P270 HydrophobicContact CD1-CG 3.84Å; I99-P270 HydrophobicContact CG1-CB 4.02Å; I99-P270 HydrophobicContact CG1-CG 4.28Å; M267-P270 HydrophobicContact CB-CB 4.26Å; M267-P270 HydrophobicContact CB-CG 4.17Å; M267-P270 HydrophobicContact CE-CB 3.94Å; M267-P270 HydrophobicContact SD-CB 4.1Å; M267-P270 HydrophobicContact SD-CG 4.34Å
271	A	94.8	Very high	82.1	Confident	19 Å²	19	59 Å²	59	16%	0.157	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.1	167.7	0	0	0	0	0	110.7	L91 M96 D97 L98 I99	L91-A271 HydrophobicContact CD1-CB 4.12Å; M96-A271 HydrophobicContact CE-CB 3.88Å; M96-A271 HydrophobicContact SD-CB 4.46Å; D97-A271 PolarHBondContact O-N 3.07Å; L98-A271 WeakPolarHBondContact CA-O 3.38Å; L98-A271 HydrophobicContact CD2-CB 3.94Å; I99-A271 PolarHBondContact N-O 2.99Å
272	I	93.3	Very high	81.4	Confident	89 Å²	89	57 Å²	57	46%	0.456	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117	-178.6	-59.5	173.9	0	0	0	110	I99 V259 R274	I99-I272 HydrophobicContact CB-CG1 4.35Å; I99-I272 WeakPolarHBondContact O-CA 3.34Å; V259-I272 HydrophobicContact CG1-CD1 3.94Å; I272-R274 HydrophobicContact CG2-CG 3.82Å
273	V	90.3	Very high	80.9	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	99.9	175.7	-177.5	0	0	0	0	109.7	K87 A88 L91 I99 V100 Q101	K87-V273 HydrophobicContact CB-CG1 3.71Å; K87-V273 HydrophobicContact CD-CG1 4.4Å; A88-V273 HydrophobicContact CB-CG1 4.35Å; A88-V273 HydrophobicContact CB-CG2 4.26Å; L91-V273 HydrophobicContact CD1-CG2 3.89Å; I99-V273 PolarHBondContact O-N 3.49Å; V100-V273 HydrophobicContact CG2-CB 4.49Å; Q101-V273 PolarHBondContact N-O 3.37Å
274	R	86.3	Confident	80.5	Confident	100 Å²	100	60.7 Å²	60.7	38%	0.377	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.7	173.2	-64.5	-178.1	174.9	173.4	-1.7	110.3	Q101 I272	Q101-R274 HydrophobicContact CB-CG 3.93Å; Q101-R274 VanDerWaalsContact OE1-NE 3.16Å; I272-R274 HydrophobicContact CG2-CG 3.82Å
275	L	69.8	Low	80.3	Confident	51 Å²	51	58.5 Å²	58.5	27%	0.267	30%	0.304	S	S	.	.	S	Bend	trans	-86.9	-24.7	178.5	-73.6	-174.1	0	0	0	114.9	P83 V84 K87 A102	P83-L275 HydrophobicContact CB-CD1 3.92Å; P83-L275 HydrophobicContact CB-CD2 3.86Å; V84-L275 HydrophobicContact CB-CD1 3.58Å; V84-L275 HydrophobicContact CB-CG 4.08Å; V84-L275 HydrophobicContact CG1-CD1 4.36Å; K87-L275 HydrophobicContact CD-CD2 3.79Å; A102-L275 HydrophobicContact CB-CD1 4.38Å
276	A	64.9	Low	80.3	Confident	30 Å²	30	54.4 Å²	54.4	25%	0.248	29%	0.289	C	S	.	.			trans	-139.8	145.4	-179.2	0	0	0	0	0	111.3	P280	A276-P280 HydrophobicContact CB-CB 3.65Å; A276-P280 HydrophobicContact CB-CG 4.04Å
277	V	54.1	Low	80.3	Confident	155 Å²	155	54.4 Å²	54.4	94%	0.939	29%	0.289	S	S	*	.	S	Bend	trans	-88.5	-26.6	-179	-174.6	0	0	0	0	112.2
278	K	57	Low	80.3	Confident	178 Å²	178	53.6 Å²	53.6	77%	0.774	29%	0.285	S	S	*	.	S	Bend	trans	-116	130.6	175.6	-64.6	-175.6	178.9	-177.4	0	108.5	P280	K278-P280 VanDerWaalsContact O-N 3.15Å
279	D	58.8	Low	80.5	Confident	53 Å²	53	47.1 Å²	47.1	28%	0.283	25%	0.25	S	S	.	.			trans	-30.3	105.9	-160.9	-80.3	-58.6	0	0	0	115.8	A281 P441	D279-A281 PolarHBondContact O-N 3.12Å; D279-A281 VanDerWaalsContact O-N 3.15Å; D279-P441 HydrophobicContact CB-CG 3.83Å
280	P	58.9	Low	80.7	Confident	6 Å²	6	42.5 Å²	42.5	4%	0.039	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-67.5	-19	-177.1	25.5	-31.7	0	0	0	112.4	K103 A276 K278 L282 I283	K103-P280 HydrophobicContact CB-CB 3.98Å; K103-P280 WeakPolarHBondContact CB-O 3.49Å; K103-P280 WeakPolarHBondContact CD-O 3.34Å; K103-P280 WeakPolarHBondContact CG-O 3.32Å; A276-P280 HydrophobicContact CB-CB 3.65Å; A276-P280 HydrophobicContact CB-CG 4.04Å; K278-P280 VanDerWaalsContact O-N 3.15Å; P280-L282 PolarHBondContact O-N 2.95Å; P280-I283 HydrophobicContact CB-CD1 4.45Å; P280-I283 PolarHBondContact O-N 3.5Å
281	A	63.3	Low	80.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-59	-24.9	-168	0	0	0	0	0	114.8	K103 D279 V404	K103-A281 WeakPolarHBondContact CE-O 3.26Å; D279-A281 PolarHBondContact O-N 3.12Å; D279-A281 VanDerWaalsContact O-N 3.15Å; A281-V404 HydrophobicContact CB-CG1 3.18Å
282	L	75.2	Confident	80.8	Confident	4 Å²	4	42 Å²	42	2%	0.021	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-108.4	-0.3	-168.9	-60.8	-176.3	0	0	0	115.3	P280 V285 Y403 V404 V407 T442	P280-L282 PolarHBondContact O-N 2.95Å; L282-V285 PolarHBondContact O-N 3.42Å; L282-Y403 HydrophobicContact CD1-CE1 4.25Å; L282-V404 HydrophobicContact CD1-CG2 4.32Å; L282-V404 HydrophobicContact CD2-CG1 4.36Å; L282-V407 HydrophobicContact CD2-CB 3.57Å; L282-V407 HydrophobicContact CD2-CG1 3.55Å; L282-V407 HydrophobicContact CD2-CG2 4.38Å; L282-T442 HydrophobicContact CB-CG2 4.4Å; L282-T442 WeakPolarHBondContact CD1-OG1 3.44Å
283	I	78.2	Confident	80.7	Confident	64 Å²	64	44.1 Å²	44.1	33%	0.328	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	141.6	-178	-60.7	172.1	0	0	0	110.2	T39 D41 K103 P280 V285	T39-I283 HydrophobicContact CG2-CG2 3.99Å; D41-I283 HydrophobicContact CB-CD1 4.07Å; D41-I283 WeakPolarHBondContact OD1-CG2 3.11Å; K103-I283 WeakPolarHBondContact CE-O 3.4Å; K103-I283 PolarHBondContact NZ-O 2.82Å; P280-I283 HydrophobicContact CB-CD1 4.45Å; P280-I283 PolarHBondContact O-N 3.5Å; I283-V285 PolarHBondContact O-N 3.21Å
284	G	85.6	Confident	80.8	Confident	19 Å²	19	43.7 Å²	43.7	20%	0.196	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-5.7	177.6	0	0	0	0	0	116.2	Y416 G417	G284-Y416 WeakPolarHBondContact O-CA 3.3Å; G284-G417 PolarHBondContact O-N 3.31Å; G284-G417 VanDerWaalsContact O-N 3.12Å
285	V	90	Very high	81.1	Confident	10 Å²	10	44.7 Å²	44.7	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.3	176.5	-170.6	0	0	0	0	110	L282 I283 V407 A410 G417	L282-V285 PolarHBondContact O-N 3.42Å; I283-V285 PolarHBondContact O-N 3.21Å; V285-V407 HydrophobicContact CB-CG1 3.86Å; V285-V407 HydrophobicContact CG1-CG1 3.5Å; V285-V407 HydrophobicContact CG2-CG1 4.41Å; V285-A410 HydrophobicContact CG1-CB 4.09Å; V285-A410 HydrophobicContact CG2-CB 4.02Å; V285-A410 WeakPolarHBondContact CG2-O 3.27Å; V285-G417 WeakPolarHBondContact CA-O 3.34Å
286	R	92	Very high	82.2	Confident	30 Å²	30	44 Å²	44	11%	0.113	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126	174.4	-60.1	-176.6	-176.4	83.2	0.4	109.3	F288 G417 A418 S419 L455 T457 P458 C460	R286-F288 HydrophobicContact CB-CD2 4.39Å; R286-F288 HydrophobicContact CB-CE2 3.46Å; R286-F288 VanDerWaalsContact CB-CE2 3.46Å; R286-F288 HydrophobicContact CB-CZ 3.86Å; R286-G417 PolarHBondContact N-O 3.47Å; R286-A418 CarbonylContact O-C 3.52Å; R286-A418 WeakPolarHBondContact O-CA 3.38Å; R286-S419 PolarHBondContact O-N 2.68Å; R286-L455 PolarHBondContact NH1-O 3.41Å; R286-T457 PolarHBondContact NH1-O 3.3Å; R286-P458 PolarHBondContact NH2-O 3.15Å; R286-C460 VanDerWaalsContact CZ-CB 3.5Å; R286-C460 PolarHBondContact NH2-O 3.34Å; R286-C460 VanDerWaalsContact NH2-O 3.09Å
287	Q	94.4	Very high	83.3	Confident	9 Å²	9	46.7 Å²	46.7	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.3	-170.9	-68.3	162.6	51.7	0	0	111.3	Y403 V407 T442 I444 R445	Q287-Y403 WeakPolarHBondContact CG-OH 3.42Å; Q287-Y403 PolarHBondContact OE1-OH 3.15Å; Q287-V407 HydrophobicContact CG-CG1 4.08Å; Q287-T442 PolarHBondContact NE2-OG1 3.41Å; Q287-T442 PolarHBondContact OE1-OG1 3.48Å; Q287-I444 HydrophobicContact CB-CG1 4.48Å; Q287-I444 HydrophobicContact CB-CG2 4.46Å; Q287-R445 PolarHBondContact O-N 2.91Å; Q287-R445 VanDerWaalsContact O-N 3.07Å
288	F	96.5	Very high	85.2	Confident	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.9	-178.3	-54.7	-81.3	0	0	0	113.1	R286 S419 V420 I421 R445 L447 L455 L464 L467	R286-F288 HydrophobicContact CB-CD2 4.39Å; R286-F288 HydrophobicContact CB-CE2 3.46Å; R286-F288 VanDerWaalsContact CB-CE2 3.46Å; R286-F288 HydrophobicContact CB-CZ 3.86Å; F288-S419 PolarHBondContact N-O 3.02Å; F288-V420 HydrophobicContact CB-CG2 4.3Å; F288-V420 CarbonylContact O-C 3.4Å; F288-V420 WeakPolarHBondContact O-CA 3.48Å; F288-I421 PolarHBondContact O-N 3.33Å; F288-R445 CarbonylContact C-O 3.15Å; F288-R445 WeakPolarHBondContact CA-O 3.43Å; F288-R445 HydrophobicContact CD1-CB 4.46Å; F288-L447 HydrophobicContact CB-CB 4.26Å; F288-L447 HydrophobicContact CB-CD1 4.28Å; F288-L447 HydrophobicContact CB-CG 3.92Å; F288-L447 HydrophobicContact CD1-CD1 4.34Å; F288-L447 HydrophobicContact CD2-CD1 4.46Å; F288-L447 HydrophobicContact CG-CD1 4.11Å; F288-L447 HydrophobicContact CG-CG 4.29Å; F288-L455 HydrophobicContact CD2-CD1 4.06Å; F288-L455 HydrophobicContact CD2-CD2 4.27Å; F288-L455 HydrophobicContact CD2-CG 4.4Å; F288-L455 HydrophobicContact CE2-CD1 3.36Å; F288-L455 HydrophobicContact CE2-CD2 4.27Å; F288-L455 HydrophobicContact CE2-CG 3.89Å; F288-L455 HydrophobicContact CZ-CD1 3.62Å; F288-L464 HydrophobicContact CE1-CD2 4.17Å; F288-L464 HydrophobicContact CZ-CD2 4.1Å; F288-L467 HydrophobicContact CD1-CD1 4.39Å; F288-L467 HydrophobicContact CE1-CD1 3.72Å
289	F	97.2	Very high	86.8	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.5	165	73.9	-86.1	0	0	0	110.3	I291 I421 V423 L433 I444 R445 E446 L447 V470 R473 M474	F289-I291 HydrophobicContact CD2-CD1 4.45Å; F289-I291 HydrophobicContact CD2-CG1 3.99Å; F289-I291 HydrophobicContact CE2-CD1 3.91Å; F289-I291 HydrophobicContact CE2-CG1 3.91Å; F289-I421 CarbonylContact C-O 3.52Å; F289-I421 VanDerWaalsContact CA-O 3.27Å; F289-I421 WeakPolarHBondContact CA-O 3.41Å; F289-I421 HydrophobicContact CB-CB 4.47Å; F289-V423 HydrophobicContact CB-CG2 4.23Å; F289-L433 HydrophobicContact CB-CD2 3.75Å; F289-L433 HydrophobicContact CD1-CD2 4.5Å; F289-L433 HydrophobicContact CD2-CD2 3.99Å; F289-L433 HydrophobicContact CG-CD2 3.83Å; F289-I444 HydrophobicContact CB-CG2 4.18Å; F289-I444 HydrophobicContact CD1-CG2 4.02Å; F289-R445 WeakPolarHBondContact CD1-O 3.11Å; F289-R445 PolarHBondContact N-O 3.12Å; F289-E446 HydrophobicContact CE1-CB 3.88Å; F289-E446 HydrophobicContact CE2-CB 4.19Å; F289-E446 HydrophobicContact CE2-CG 4.09Å; F289-E446 HydrophobicContact CZ-CB 3.62Å; F289-E446 HydrophobicContact CZ-CG 4.02Å; F289-L447 PolarHBondContact O-N 2.6Å; F289-V470 HydrophobicContact CD1-CG2 3.35Å; F289-V470 HydrophobicContact CE1-CB 4.26Å; F289-V470 HydrophobicContact CE1-CG2 3.44Å; F289-V470 VanDerWaalsContact CE1-CG2 3.44Å; F289-V470 HydrophobicContact CG-CG2 4.07Å; F289-V470 HydrophobicContact CZ-CG2 4.24Å; F289-R473 HydrophobicContact CE2-CB 4.32Å; F289-R473 HydrophobicContact CE2-CG 3.99Å; F289-R473 HydrophobicContact CZ-CB 3.77Å; F289-R473 HydrophobicContact CZ-CG 3.9Å; F289-M474 HydrophobicContact CE2-CE 4.42Å
290	H	97.4	Very high	88.4	Confident	39 Å²	39	41.5 Å²	41.5	18%	0.181	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.5	171.9	-174.8	78.5	0	0	0	110.4	F309 I421 V423 L447	H290-F309 HydrophobicContact CB-CD1 4.48Å; H290-F309 HydrophobicContact CB-CE1 3.64Å; H290-F309 HydrophobicContact CB-CE2 4.28Å; H290-F309 HydrophobicContact CB-CZ 3.53Å; H290-F309 AromaticContact CD2-CD1 3.78Å; H290-F309 AromaticContact CD2-CD2 3.34Å; H290-F309 WeakPolarHBondContact CD2-CD2 3.3Å; H290-F309 AromaticContact CD2-CE1 3.61Å; H290-F309 AromaticContact CD2-CE2 3.15Å; H290-F309 WeakPolarHBondContact CD2-CE2 3.32Å; H290-F309 AromaticContact CD2-CG 3.66Å; H290-F309 AromaticContact CD2-CZ 3.3Å; H290-F309 WeakPolarHBondContact CD2-CZ 3.15Å; H290-F309 AromaticContact CE1-CE2 3.65Å; H290-F309 AromaticContact CG-CE1 3.72Å; H290-F309 AromaticContact CG-CE2 3.49Å; H290-F309 VanDerWaalsContact CG-CE2 3.49Å; H290-F309 AromaticContact CG-CZ 3.25Å; H290-F309 AromaticContact ND1-CE2 3.79Å; H290-F309 AromaticContact ND1-CZ 3.84Å; H290-F309 AromaticContact NE2-CD2 3.37Å; H290-F309 WeakPolarHBondContact NE2-CD2 3.34Å; H290-F309 AromaticContact NE2-CE2 3.25Å; H290-F309 VanDerWaalsContact NE2-CE2 3.25Å; H290-F309 WeakPolarHBondContact NE2-CE2 3.27Å; H290-F309 AromaticContact NE2-CZ 3.89Å; H290-I421 PolarHBondContact N-O 3.2Å; H290-V423 PolarHBondContact O-N 3.05Å; H290-L447 HydrophobicContact CB-CB 4.22Å; H290-L447 HydrophobicContact CB-CD2 4.4Å
291	I	96.5	Very high	90.1	Very high	24 Å²	24	42.2 Å²	42.2	12%	0.123	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.7	178.8	-58.7	174.3	0	0	0	109.1	F289 V423 D425 R473 M474 I477	F289-I291 HydrophobicContact CD2-CD1 4.45Å; F289-I291 HydrophobicContact CD2-CG1 3.99Å; F289-I291 HydrophobicContact CE2-CD1 3.91Å; F289-I291 HydrophobicContact CE2-CG1 3.91Å; I291-V423 CarbonylContact C-O 3.6Å; I291-V423 VanDerWaalsContact CA-O 3.29Å; I291-V423 WeakPolarHBondContact CA-O 3.41Å; I291-V423 HydrophobicContact CG1-CB 4.39Å; I291-D425 HydrophobicContact CG2-CB 3.68Å; I291-R473 HydrophobicContact CD1-CG 3.88Å; I291-M474 HydrophobicContact CD1-CE 4.11Å; I291-I477 HydrophobicContact CD1-CD1 3.67Å
292	I	96.3	Very high	91.6	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	155.9	170.3	60.3	152.6	0	0	0	110.6	P294 A305 K306 F309 I422 V423 D425	I292-P294 HydrophobicContact CD1-CG 4.11Å; I292-P294 WeakPolarHBondContact O-CD 3.46Å; I292-A305 HydrophobicContact CD1-CB 3.74Å; I292-K306 HydrophobicContact CD1-CB 4.25Å; I292-K306 HydrophobicContact CD1-CD 4.41Å; I292-K306 HydrophobicContact CD1-CG 3.31Å; I292-K306 HydrophobicContact CG1-CG 4.42Å; I292-F309 HydrophobicContact CG2-CB 3.73Å; I292-F309 HydrophobicContact CG2-CD1 4.39Å; I292-F309 HydrophobicContact CG2-CG 4Å; I292-I422 HydrophobicContact CD1-CG2 4.48Å; I292-I422 HydrophobicContact CG1-CG2 4.29Å; I292-I422 HydrophobicContact CG2-CG2 3.85Å; I292-V423 VanDerWaalsContact CG1-O 3.24Å; I292-V423 WeakPolarHBondContact CG1-O 3.34Å; I292-V423 PolarHBondContact N-O 2.92Å; I292-D425 PolarHBondContact O-N 3.46Å; I292-D425 VanDerWaalsContact O-N 3.14Å
293	Q	93	Very high	92.6	Very high	134 Å²	134	45.1 Å²	45.1	63%	0.626	25%	0.252	S	S	*	.			trans	-119.8	93	176.9	-61.6	-178	0.9	0	0	110
294	P	92.1	Very high	93.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.			trans	-61.3	147	175.2	-23.7	36.6	0	0	0	112.2	I292 T296 I302 A305 D425 V426	I292-P294 HydrophobicContact CD1-CG 4.11Å; I292-P294 WeakPolarHBondContact O-CD 3.46Å; P294-T296 VanDerWaalsContact C-N 3.33Å; P294-T296 PolarHBondContact O-N 2.87Å; P294-I302 HydrophobicContact CB-CB 4.44Å; P294-I302 HydrophobicContact CB-CG1 3.92Å; P294-I302 HydrophobicContact CG-CB 4.17Å; P294-I302 HydrophobicContact CG-CG1 3.86Å; P294-I302 HydrophobicContact CG-CG2 4.14Å; P294-A305 HydrophobicContact CB-CB 4.37Å; P294-A305 HydrophobicContact CG-CB 4.33Å; P294-D425 WeakPolarHBondContact CD-OD1 3.39Å; P294-V426 HydrophobicContact CG-CG2 4.08Å
295	T	92.1	Very high	93.9	Very high	121 Å²	121	46.5 Å²	46.5	74%	0.742	26%	0.259	S	S	*	.	S	Bend	trans	-67.8	-34.7	179	-48.6	0	0	0	0	112.2
296	T	91.9	Very high	94.2	Very high	36 Å²	36	46.2 Å²	46.2	22%	0.221	26%	0.257	C	S	.	.	S	Bend	trans	-137.5	165.6	179.9	71.5	0	0	0	0	110.9	P294 A298 S301 T485	P294-T296 VanDerWaalsContact C-N 3.33Å; P294-T296 PolarHBondContact O-N 2.87Å; T296-A298 PolarHBondContact O-N 3.15Å; T296-A298 PolarHBondContact OG1-N 3.43Å; T296-S301 PolarHBondContact N-OG 2.83Å; T296-S301 WeakPolarHBondContact OG1-CB 3.36Å; T296-S301 PolarHBondContact OG1-OG 2.79Å; T296-T485 HydrophobicContact CG2-CG2 4.33Å
297	L	89.1	Confident	94.4	Very high	87 Å²	87	45.1 Å²	45.1	46%	0.455	25%	0.253	S	S	.	.	S	Bend	trans	-75.3	-1	174.4	-62.9	176	0	0	0	113.7	V426 I482	L297-V426 HydrophobicContact CD2-CB 3.63Å; L297-V426 HydrophobicContact CD2-CG1 3.65Å; L297-V426 HydrophobicContact CD2-CG2 4.04Å; L297-I482 HydrophobicContact CD1-CB 4.4Å; L297-I482 HydrophobicContact CD2-CB 4.22Å; L297-I482 HydrophobicContact CD2-CD1 3.9Å; L297-I482 HydrophobicContact CD2-CG2 4.48Å; L297-I482 HydrophobicContact CG-CB 4.01Å; L297-I482 HydrophobicContact CG-CD1 4.46Å; L297-I482 HydrophobicContact CG-CG2 3.94Å
298	A	92.9	Very high	94.5	Very high	41 Å²	41	52.6 Å²	52.6	34%	0.339	29%	0.286	S	S	.	.	S	Bend	trans	-69.8	135.4	-178.5	0	0	0	0	0	110.4	T296 I300 S301 I302	T296-A298 PolarHBondContact O-N 3.15Å; T296-A298 PolarHBondContact OG1-N 3.43Å; A298-I300 PolarHBondContact O-N 3.07Å; A298-I300 VanDerWaalsContact O-N 3.11Å; A298-S301 WeakPolarHBondContact O-CA 3.33Å; A298-S301 WeakPolarHBondContact O-CB 3.15Å; A298-S301 PolarHBondContact O-N 2.91Å; A298-I302 PolarHBondContact O-N 2.93Å; A298-I302 VanDerWaalsContact O-N 3.14Å
299	P	91.4	Very high	94.6	Very high	108 Å²	108	53.2 Å²	53.2	70%	0.701	29%	0.288	S	S	*	.	H	α-helix	trans	-51.3	-39.9	-178.9	-30.1	35.5	0	0	0	114	S301 I302 F303	P299-S301 PolarHBondContact O-N 2.94Å; P299-I302 PolarHBondContact O-N 3.28Å; P299-F303 WeakPolarHBondContact O-CB 3.15Å; P299-F303 PolarHBondContact O-N 3.26Å
300	I	92.5	Very high	94.5	Very high	127 Å²	127	53.2 Å²	53.2	65%	0.651	29%	0.288	S	S	*	.	H	α-helix	trans	-61.5	-43.9	177	-61.1	166.1	0	0	0	111.1	A298 I302 F303 D304	A298-I300 PolarHBondContact O-N 3.07Å; A298-I300 VanDerWaalsContact O-N 3.11Å; I300-I302 VanDerWaalsContact C-N 3.29Å; I300-I302 PolarHBondContact O-N 2.99Å; I300-F303 PolarHBondContact O-N 3.43Å; I300-D304 WeakPolarHBondContact O-CB 3.49Å; I300-D304 PolarHBondContact O-N 3.01Å
301	S	95.2	Very high	94.5	Very high	21 Å²	21	52 Å²	52	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-32	178.7	180	0	0	0	0	112.8	T296 A298 P299 A305	T296-S301 PolarHBondContact N-OG 2.83Å; T296-S301 WeakPolarHBondContact OG1-CB 3.36Å; T296-S301 PolarHBondContact OG1-OG 2.79Å; A298-S301 WeakPolarHBondContact O-CA 3.33Å; A298-S301 WeakPolarHBondContact O-CB 3.15Å; A298-S301 PolarHBondContact O-N 2.91Å; P299-S301 PolarHBondContact O-N 2.94Å; S301-A305 WeakPolarHBondContact O-CB 3.42Å; S301-A305 PolarHBondContact O-N 2.88Å
302	I	94.7	Very high	94.5	Very high	34 Å²	34	55.2 Å²	55.2	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-70	-49.3	174.8	-58.7	173.7	0	0	0	108.8	P294 A298 P299 I300 D304 A305 K306 V426	P294-I302 HydrophobicContact CB-CB 4.44Å; P294-I302 HydrophobicContact CB-CG1 3.92Å; P294-I302 HydrophobicContact CG-CB 4.17Å; P294-I302 HydrophobicContact CG-CG1 3.86Å; P294-I302 HydrophobicContact CG-CG2 4.14Å; A298-I302 PolarHBondContact O-N 2.93Å; A298-I302 VanDerWaalsContact O-N 3.14Å; P299-I302 PolarHBondContact O-N 3.28Å; I300-I302 VanDerWaalsContact C-N 3.29Å; I300-I302 PolarHBondContact O-N 2.99Å; I302-D304 PolarHBondContact O-N 3.38Å; I302-A305 PolarHBondContact O-N 3.43Å; I302-K306 HydrophobicContact CG2-CD 4.33Å; I302-K306 WeakPolarHBondContact O-CG 3.35Å; I302-K306 PolarHBondContact O-N 3.03Å; I302-V426 HydrophobicContact CD1-CG2 3.71Å; I302-V426 HydrophobicContact CG1-CG2 4.04Å
303	F	94.9	Very high	94.5	Very high	31 Å²	31	54.7 Å²	54.7	14%	0.136	29%	0.294	C	S	.	.	H	α-helix	trans	-58.5	-44.9	178.8	-172.5	-113	0	0	0	112.5	P299 I300 A305 K306 I307 N331 D334 L335 L394	P299-F303 WeakPolarHBondContact O-CB 3.15Å; P299-F303 PolarHBondContact O-N 3.26Å; I300-F303 PolarHBondContact O-N 3.43Å; F303-A305 VanDerWaalsContact C-N 3.35Å; F303-A305 PolarHBondContact O-N 2.95Å; F303-K306 WeakPolarHBondContact O-CB 3.44Å; F303-K306 PolarHBondContact O-N 2.97Å; F303-K306 VanDerWaalsContact O-N 3.16Å; F303-I307 HydrophobicContact CD1-CD1 3.61Å; F303-I307 HydrophobicContact CE1-CD1 3.27Å; F303-I307 HydrophobicContact CE1-CG1 4.3Å; F303-I307 HydrophobicContact CE2-CD1 4.36Å; F303-I307 HydrophobicContact CG-CD1 4.31Å; F303-I307 HydrophobicContact CZ-CD1 3.69Å; F303-I307 HydrophobicContact CZ-CG1 4.37Å; F303-I307 WeakPolarHBondContact O-CG1 3.36Å; F303-I307 PolarHBondContact O-N 2.84Å; F303-N331 HydrophobicContact CE2-CB 3.75Å; F303-N331 HydrophobicContact CZ-CB 4.29Å; F303-D334 HydrophobicContact CE1-CB 4.01Å; F303-D334 HydrophobicContact CZ-CB 4.01Å; F303-L335 HydrophobicContact CZ-CB 4.14Å; F303-L394 HydrophobicContact CD2-CD2 4.3Å; F303-L394 HydrophobicContact CE2-CD2 3.86Å
304	D	95	Very high	94.7	Very high	91 Å²	91	48.4 Å²	48.4	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-41.5	175.9	-75.2	-25.4	0	0	0	112.5	I300 I302 K306 I307 K308	I300-D304 WeakPolarHBondContact O-CB 3.49Å; I300-D304 PolarHBondContact O-N 3.01Å; I302-D304 PolarHBondContact O-N 3.38Å; D304-K306 VanDerWaalsContact C-N 3.33Å; D304-I307 PolarHBondContact O-N 3.48Å; D304-K308 WeakPolarHBondContact O-CB 3.4Å; D304-K308 PolarHBondContact O-N 3.35Å
305	A	96.7	Very high	94.9	Very high	22 Å²	22	54.2 Å²	54.2	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-38.7	176.3	0	0	0	0	0	111.5	I292 P294 S301 I302 F303 K308 F309	I292-A305 HydrophobicContact CD1-CB 3.74Å; P294-A305 HydrophobicContact CB-CB 4.37Å; P294-A305 HydrophobicContact CG-CB 4.33Å; S301-A305 WeakPolarHBondContact O-CB 3.42Å; S301-A305 PolarHBondContact O-N 2.88Å; I302-A305 PolarHBondContact O-N 3.43Å; F303-A305 VanDerWaalsContact C-N 3.35Å; F303-A305 PolarHBondContact O-N 2.95Å; A305-K308 PolarHBondContact O-N 3.46Å; A305-F309 PolarHBondContact O-N 3.47Å; A305-F309 VanDerWaalsContact O-N 3.1Å
306	K	96.8	Very high	95	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-47.4	174.1	-68	-176.2	171.6	-151.7	0	111.5	I292 I302 F303 D304 K308 F309 L310 L394 I422 E429	I292-K306 HydrophobicContact CD1-CB 4.25Å; I292-K306 HydrophobicContact CD1-CD 4.41Å; I292-K306 HydrophobicContact CD1-CG 3.31Å; I292-K306 HydrophobicContact CG1-CG 4.42Å; I302-K306 HydrophobicContact CG2-CD 4.33Å; I302-K306 WeakPolarHBondContact O-CG 3.35Å; I302-K306 PolarHBondContact O-N 3.03Å; F303-K306 WeakPolarHBondContact O-CB 3.44Å; F303-K306 PolarHBondContact O-N 2.97Å; F303-K306 VanDerWaalsContact O-N 3.16Å; D304-K306 VanDerWaalsContact C-N 3.33Å; K306-K308 VanDerWaalsContact C-N 3.32Å; K306-K308 PolarHBondContact O-N 3.14Å; K306-F309 PolarHBondContact O-N 3.32Å; K306-L310 VanDerWaalsContact O-CB 3.26Å; K306-L310 WeakPolarHBondContact O-CB 3.21Å; K306-L310 PolarHBondContact O-N 3.24Å; K306-L394 HydrophobicContact CB-CD1 3.79Å; K306-L394 HydrophobicContact CB-CG 4.42Å; K306-L394 HydrophobicContact CD-CD1 4.47Å; K306-L394 HydrophobicContact CD-CG 4.23Å; K306-L394 WeakPolarHBondContact CD-O 3.42Å; K306-L394 WeakPolarHBondContact CE-O 3.5Å; K306-L394 PolarHBondContact NZ-O 3.17Å; K306-I422 HydrophobicContact CB-CG2 4.37Å; K306-I422 HydrophobicContact CG-CG2 3.97Å; K306-E429 IonicContact NZ-OE1 2.68Å; K306-E429 PolarHBondContact NZ-OE1 3.46Å; K306-E429 IonicContact NZ-OE2 2.88Å; K306-E429 PolarHBondContact NZ-OE2 3.22Å
307	I	96.2	Very high	95.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-43.5	176.6	-71	170.4	0	0	0	111.1	F303 D304 F309 L310 C311 L335 A338	F303-I307 HydrophobicContact CD1-CD1 3.61Å; F303-I307 HydrophobicContact CE1-CD1 3.27Å; F303-I307 HydrophobicContact CE1-CG1 4.3Å; F303-I307 HydrophobicContact CE2-CD1 4.36Å; F303-I307 HydrophobicContact CG-CD1 4.31Å; F303-I307 HydrophobicContact CZ-CD1 3.69Å; F303-I307 HydrophobicContact CZ-CG1 4.37Å; F303-I307 WeakPolarHBondContact O-CG1 3.36Å; F303-I307 PolarHBondContact O-N 2.84Å; D304-I307 PolarHBondContact O-N 3.48Å; I307-F309 PolarHBondContact O-N 2.72Å; I307-L310 PolarHBondContact O-N 3.01Å; I307-C311 PolarHBondContact O-N 2.62Å; I307-C311 PolarHBondContact O-SG 3.18Å; I307-L335 HydrophobicContact CD1-CD1 4.38Å; I307-L335 HydrophobicContact CG1-CD1 3.8Å; I307-A338 HydrophobicContact CD1-CB 3.83Å; I307-A338 HydrophobicContact CG2-CB 4.35Å
308	K	96.3	Very high	95.3	Very high	166 Å²	166	50.8 Å²	50.8	72%	0.722	27%	0.274	S	S	*	.	H	α-helix	trans	-59.7	-46.8	178.9	-176.3	-179.7	179.1	-178.9	0	111.5	D304 A305 K306 C311 K312	D304-K308 WeakPolarHBondContact O-CB 3.4Å; D304-K308 PolarHBondContact O-N 3.35Å; A305-K308 PolarHBondContact O-N 3.46Å; K306-K308 VanDerWaalsContact C-N 3.32Å; K306-K308 PolarHBondContact O-N 3.14Å; K308-C311 PolarHBondContact O-N 2.71Å; K308-K312 PolarHBondContact O-N 3.12Å
309	F	97.4	Very high	95.4	Very high	14 Å²	14	49.2 Å²	49.2	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-42.2	177.3	178.4	-103.1	0	0	0	112.1	H290 I292 A305 K306 I307 C311 K312 L313 I422 L447 I451	H290-F309 HydrophobicContact CB-CD1 4.48Å; H290-F309 HydrophobicContact CB-CE1 3.64Å; H290-F309 HydrophobicContact CB-CE2 4.28Å; H290-F309 HydrophobicContact CB-CZ 3.53Å; H290-F309 AromaticContact CD2-CD1 3.78Å; H290-F309 AromaticContact CD2-CD2 3.34Å; H290-F309 WeakPolarHBondContact CD2-CD2 3.3Å; H290-F309 AromaticContact CD2-CE1 3.61Å; H290-F309 AromaticContact CD2-CE2 3.15Å; H290-F309 WeakPolarHBondContact CD2-CE2 3.32Å; H290-F309 AromaticContact CD2-CG 3.66Å; H290-F309 AromaticContact CD2-CZ 3.3Å; H290-F309 WeakPolarHBondContact CD2-CZ 3.15Å; H290-F309 AromaticContact CE1-CE2 3.65Å; H290-F309 AromaticContact CG-CE1 3.72Å; H290-F309 AromaticContact CG-CE2 3.49Å; H290-F309 VanDerWaalsContact CG-CE2 3.49Å; H290-F309 AromaticContact CG-CZ 3.25Å; H290-F309 AromaticContact ND1-CE2 3.79Å; H290-F309 AromaticContact ND1-CZ 3.84Å; H290-F309 AromaticContact NE2-CD2 3.37Å; H290-F309 WeakPolarHBondContact NE2-CD2 3.34Å; H290-F309 AromaticContact NE2-CE2 3.25Å; H290-F309 VanDerWaalsContact NE2-CE2 3.25Å; H290-F309 WeakPolarHBondContact NE2-CE2 3.27Å; H290-F309 AromaticContact NE2-CZ 3.89Å; I292-F309 HydrophobicContact CG2-CB 3.73Å; I292-F309 HydrophobicContact CG2-CD1 4.39Å; I292-F309 HydrophobicContact CG2-CG 4Å; A305-F309 PolarHBondContact O-N 3.47Å; A305-F309 VanDerWaalsContact O-N 3.1Å; K306-F309 PolarHBondContact O-N 3.32Å; I307-F309 PolarHBondContact O-N 2.72Å; F309-C311 VanDerWaalsContact C-N 3.26Å; F309-C311 PolarHBondContact O-N 2.94Å; F309-K312 HydrophobicContact CD2-CD 4.46Å; F309-K312 HydrophobicContact CE2-CD 4.47Å; F309-K312 WeakPolarHBondContact O-CA 3.33Å; F309-K312 WeakPolarHBondContact O-CB 3.28Å; F309-K312 PolarHBondContact O-N 2.61Å; F309-L313 HydrophobicContact CE1-CB 4.34Å; F309-L313 HydrophobicContact CE1-CD2 4.19Å; F309-L313 HydrophobicContact CZ-CB 4.43Å; F309-L313 PolarHBondContact O-N 3.36Å; F309-I422 HydrophobicContact CD1-CD1 3.8Å; F309-I422 HydrophobicContact CD1-CG1 3.8Å; F309-I422 HydrophobicContact CD1-CG2 4.16Å; F309-I422 HydrophobicContact CE1-CD1 4.36Å; F309-I422 HydrophobicContact CE1-CG1 4.03Å; F309-L447 HydrophobicContact CZ-CD2 3.78Å; F309-I451 HydrophobicContact CE2-CD1 4.32Å; F309-I451 HydrophobicContact CZ-CD1 4.45Å
310	L	97.2	Very high	95.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-55.4	-42.5	176	176.7	63	0	0	0	111.7	K306 I307 L313 L314 I324 L335 L339 I392 L394 I422	K306-L310 VanDerWaalsContact O-CB 3.26Å; K306-L310 WeakPolarHBondContact O-CB 3.21Å; K306-L310 PolarHBondContact O-N 3.24Å; I307-L310 PolarHBondContact O-N 3.01Å; L310-L313 PolarHBondContact O-N 3.2Å; L310-L314 HydrophobicContact CD1-CD1 4.2Å; L310-L314 HydrophobicContact CD1-CG 4.18Å; L310-L314 HydrophobicContact CG-CD1 4.13Å; L310-L314 WeakPolarHBondContact O-CG 3.33Å; L310-L314 PolarHBondContact O-N 2.73Å; L310-I324 HydrophobicContact CD1-CD1 3.9Å; L310-I324 HydrophobicContact CD1-CG1 4.5Å; L310-I324 HydrophobicContact CD2-CD1 3.99Å; L310-I324 HydrophobicContact CD2-CG2 4.47Å; L310-I324 HydrophobicContact CG-CD1 4.38Å; L310-L335 HydrophobicContact CD2-CD1 3.59Å; L310-L335 HydrophobicContact CD2-CD2 4.21Å; L310-L335 HydrophobicContact CD2-CG 4.45Å; L310-L339 HydrophobicContact CD2-CD1 4.22Å; L310-L339 HydrophobicContact CD2-CD2 4.28Å; L310-I392 HydrophobicContact CD1-CB 4.39Å; L310-I392 HydrophobicContact CD1-CD1 3.55Å; L310-I392 HydrophobicContact CD1-CG2 3.88Å; L310-L394 HydrophobicContact CD2-CD1 4.29Å; L310-I422 HydrophobicContact CB-CD1 4.09Å; L310-I422 HydrophobicContact CD1-CD1 4.38Å
311	C	96.2	Very high	95.5	Very high	14 Å²	14	42.9 Å²	42.9	10%	0.095	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-41.2	174.4	-64.5	0	0	0	0	112.4	I307 K308 F309 L313 N315 R342	I307-C311 PolarHBondContact O-N 2.62Å; I307-C311 PolarHBondContact O-SG 3.18Å; K308-C311 PolarHBondContact O-N 2.71Å; F309-C311 VanDerWaalsContact C-N 3.26Å; F309-C311 PolarHBondContact O-N 2.94Å; C311-L313 VanDerWaalsContact C-N 3.3Å; C311-L313 PolarHBondContact O-N 3.39Å; C311-N315 WeakPolarHBondContact O-CB 3.34Å; C311-N315 VanDerWaalsContact O-CG 3.27Å; C311-N315 PolarHBondContact O-N 3Å; C311-N315 PolarHBondContact O-ND2 3.42Å; C311-N315 VanDerWaalsContact O-ND2 3.14Å; C311-R342 WeakPolarHBondContact SG-CD 3.36Å
312	K	96.2	Very high	95.5	Very high	91 Å²	91	41.9 Å²	41.9	40%	0.396	21%	0.211	S	C	.	.	H	α-helix	trans	-57.4	-46.4	173.6	-178.7	-173	173.2	-171.7	0	110.1	K308 F309 N315 A316 D449 I451	K308-K312 PolarHBondContact O-N 3.12Å; F309-K312 HydrophobicContact CD2-CD 4.46Å; F309-K312 HydrophobicContact CE2-CD 4.47Å; F309-K312 WeakPolarHBondContact O-CA 3.33Å; F309-K312 WeakPolarHBondContact O-CB 3.28Å; F309-K312 PolarHBondContact O-N 2.61Å; K312-N315 PolarHBondContact O-N 2.74Å; K312-A316 VanDerWaalsContact O-CB 3.26Å; K312-A316 WeakPolarHBondContact O-CB 3.47Å; K312-A316 PolarHBondContact O-N 3.49Å; K312-D449 IonicContact NZ-OD1 2.91Å; K312-D449 PolarHBondContact NZ-OD1 3.24Å; K312-D449 IonicContact NZ-OD2 3.7Å; K312-I451 HydrophobicContact CD-CD1 4.33Å; K312-I451 HydrophobicContact CG-CD1 4.24Å
313	L	97.2	Very high	95.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-48.8	-178.1	-179.7	59.3	0	0	0	112.3	F309 L310 C311 N315 A316 T317 I392 V420 L447 I451	F309-L313 HydrophobicContact CE1-CB 4.34Å; F309-L313 HydrophobicContact CE1-CD2 4.19Å; F309-L313 HydrophobicContact CZ-CB 4.43Å; F309-L313 PolarHBondContact O-N 3.36Å; L310-L313 PolarHBondContact O-N 3.2Å; C311-L313 VanDerWaalsContact C-N 3.3Å; C311-L313 PolarHBondContact O-N 3.39Å; L313-N315 VanDerWaalsContact C-N 3.32Å; L313-N315 PolarHBondContact O-N 2.98Å; L313-A316 PolarHBondContact O-N 3.35Å; L313-T317 WeakPolarHBondContact CD1-OG1 3.37Å; L313-T317 WeakPolarHBondContact O-CB 3.43Å; L313-T317 PolarHBondContact O-N 3.09Å; L313-T317 PolarHBondContact O-OG1 3.3Å; L313-I392 HydrophobicContact CD2-CD1 3.67Å; L313-I392 HydrophobicContact CD2-CG1 3.96Å; L313-I392 HydrophobicContact CD2-CG2 4.4Å; L313-I392 HydrophobicContact CG-CD1 4.21Å; L313-V420 HydrophobicContact CD1-CG2 4.36Å; L313-V420 HydrophobicContact CD2-CB 3.84Å; L313-V420 HydrophobicContact CD2-CG1 3.87Å; L313-V420 HydrophobicContact CD2-CG2 3.92Å; L313-L447 HydrophobicContact CD1-CD2 3.99Å; L313-I451 HydrophobicContact CD1-CD1 4.07Å; L313-I451 HydrophobicContact CD1-CG2 4.03Å
314	L	96.7	Very high	95.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-36.7	178.8	-67.7	173.6	0	0	0	112.2	L310 F319 C322 I324 L339 W344 I392	L310-L314 HydrophobicContact CD1-CD1 4.2Å; L310-L314 HydrophobicContact CD1-CG 4.18Å; L310-L314 HydrophobicContact CG-CD1 4.13Å; L310-L314 WeakPolarHBondContact O-CG 3.33Å; L310-L314 PolarHBondContact O-N 2.73Å; L314-F319 HydrophobicContact CB-CE1 4.4Å; L314-F319 HydrophobicContact CD2-CE1 3.79Å; L314-F319 HydrophobicContact CD2-CZ 3.71Å; L314-C322 HydrophobicContact CD2-CB 4.42Å; L314-I324 HydrophobicContact CD1-CD1 4.41Å; L314-L339 HydrophobicContact CD1-CD1 4.38Å; L314-L339 HydrophobicContact CD1-CD2 4.17Å; L314-W344 HydrophobicContact CB-CH2 3.79Å; L314-W344 HydrophobicContact CB-CZ2 3.42Å; L314-W344 VanDerWaalsContact CB-CZ2 3.42Å; L314-W344 HydrophobicContact CD1-CD2 4.38Å; L314-W344 WeakPolarHBondContact O-CH2 3.04Å; L314-I392 HydrophobicContact CD2-CD1 3.87Å; L314-I392 HydrophobicContact CG-CD1 4.44Å
315	N	95.2	Very high	95.5	Very high	122 Å²	122	34.5 Å²	34.5	65%	0.652	17%	0.173	S	C	*	.	H	α-helix	trans	-73.4	-31.9	177.4	-75.5	-30.1	0	0	0	113.2	C311 K312 L313 W344	C311-N315 WeakPolarHBondContact O-CB 3.34Å; C311-N315 VanDerWaalsContact O-CG 3.27Å; C311-N315 PolarHBondContact O-N 3Å; C311-N315 PolarHBondContact O-ND2 3.42Å; C311-N315 VanDerWaalsContact O-ND2 3.14Å; K312-N315 PolarHBondContact O-N 2.74Å; L313-N315 VanDerWaalsContact C-N 3.32Å; L313-N315 PolarHBondContact O-N 2.98Å; N315-W344 VanDerWaalsContact OD1-CZ2 3.25Å; N315-W344 WeakPolarHBondContact OD1-CZ2 3.17Å
316	A	95.4	Very high	95.3	Very high	37 Å²	37	33.5 Å²	33.5	31%	0.306	16%	0.164	S	C	.	.	H	α-helix	trans	-84.3	-25.8	-177.1	0	0	0	0	0	113.2	K312 L313 I451 S453	K312-A316 VanDerWaalsContact O-CB 3.26Å; K312-A316 WeakPolarHBondContact O-CB 3.47Å; K312-A316 PolarHBondContact O-N 3.49Å; L313-A316 PolarHBondContact O-N 3.35Å; A316-I451 HydrophobicContact CB-CB 4.05Å; A316-I451 HydrophobicContact CB-CD1 4.29Å; A316-I451 HydrophobicContact CB-CG2 4.28Å; A316-S453 VanDerWaalsContact O-CA 3.26Å; A316-S453 WeakPolarHBondContact O-CA 3.42Å; A316-S453 WeakPolarHBondContact O-CB 3.43Å
317	T	95.2	Very high	94.9	Very high	7 Å²	7	34 Å²	34	4%	0.043	17%	0.168	C	C	.	.			trans	-98.6	132.1	-171.6	-46.4	0	0	0	0	111.6	L313 F319 L390 L455 A456	L313-T317 WeakPolarHBondContact CD1-OG1 3.37Å; L313-T317 WeakPolarHBondContact O-CB 3.43Å; L313-T317 PolarHBondContact O-N 3.09Å; L313-T317 PolarHBondContact O-OG1 3.3Å; T317-F319 VanDerWaalsContact O-CD1 3.27Å; T317-F319 WeakPolarHBondContact O-CD1 3.29Å; T317-L390 HydrophobicContact CG2-CD2 4.2Å; T317-L455 HydrophobicContact CG2-CB 3.94Å; T317-A456 HydrophobicContact CG2-CB 4.44Å
318	E	92.9	Very high	94.5	Very high	129 Å²	129	38.6 Å²	38.6	60%	0.603	19%	0.188	S	C	*	.			trans	-82.3	111.6	167	-170.5	178.8	177.2	0	0	109.5	S453	E318-S453 WeakPolarHBondContact CB-O 3.48Å; E318-S453 PolarHBondContact N-O 3.26Å
319	F	94.1	Very high	93.9	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.035	17%	0.174	C	C	.	.			trans	-139.9	153.6	178.9	66.5	-90	0	0	0	111.1	L314 T317 C322 W344 R371 V372 N389 L390 A456	L314-F319 HydrophobicContact CB-CE1 4.4Å; L314-F319 HydrophobicContact CD2-CE1 3.79Å; L314-F319 HydrophobicContact CD2-CZ 3.71Å; T317-F319 VanDerWaalsContact O-CD1 3.27Å; T317-F319 WeakPolarHBondContact O-CD1 3.29Å; F319-C322 HydrophobicContact CD2-CB 3.78Å; F319-C322 HydrophobicContact CE2-CB 3.53Å; F319-C322 HydrophobicContact CZ-CB 4.17Å; F319-W344 HydrophobicContact CE1-CH2 4.35Å; F319-W344 HydrophobicContact CE1-CZ3 4.38Å; F319-W344 HydrophobicContact CZ-CH2 4.28Å; F319-W344 AromaticContact CZ-CZ3 3.87Å; F319-W344 HydrophobicContact CZ-CZ3 3.87Å; F319-R371 HydrophobicContact CE2-CG 3.99Å; F319-R371 PolarHBondContact O-NE 3.28Å; F319-R371 PolarHBondContact O-NH2 3.48Å; F319-V372 HydrophobicContact CE2-CG2 4.22Å; F319-V372 HydrophobicContact CZ-CG2 4.23Å; F319-N389 WeakPolarHBondContact CA-OD1 3.32Å; F319-N389 WeakPolarHBondContact CB-OD1 3.41Å; F319-L390 HydrophobicContact CB-CB 3.83Å; F319-L390 HydrophobicContact CB-CD2 4.05Å; F319-L390 HydrophobicContact CD1-CD2 3.65Å; F319-L390 HydrophobicContact CE1-CD2 4.24Å; F319-L390 HydrophobicContact CG-CB 4.2Å; F319-L390 HydrophobicContact CG-CD2 3.82Å; F319-A456 HydrophobicContact CB-CB 4.35Å
320	Q	92.4	Very high	93.2	Very high	101 Å²	101	39.6 Å²	39.6	47%	0.472	20%	0.198	S	C	.	.	S	Bend	trans	-77.5	-70.5	176.2	-70	176.7	-0.8	0	0	109.6	R371 N387 N389	Q320-R371 WeakPolarHBondContact O-CG 3.3Å; Q320-R371 PolarHBondContact O-NE 2.79Å; Q320-N387 HydrophobicContact CB-CB 4.22Å; Q320-N387 VanDerWaalsContact CB-O 3.24Å; Q320-N387 WeakPolarHBondContact CB-O 3.42Å; Q320-N389 PolarHBondContact N-OD1 3.29Å
321	Q	93.5	Very high	92.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	154.4	169.7	-60.2	-177.3	-65.3	0	0	111.3	L365 F368 C370 R371 N387 V388 N389 L390	Q321-L365 HydrophobicContact CB-CD1 4.24Å; Q321-L365 HydrophobicContact CG-CD1 4.44Å; Q321-L365 PolarHBondContact NE2-O 3.12Å; Q321-F368 HydrophobicContact CG-CD2 3.76Å; Q321-F368 HydrophobicContact CG-CE2 3.43Å; Q321-F368 VanDerWaalsContact CG-CE2 3.43Å; Q321-F368 HydrophobicContact CG-CZ 4.2Å; Q321-C370 PolarHBondContact NE2-O 3.3Å; Q321-R371 CarbonylContact C-O 3.45Å; Q321-R371 VanDerWaalsContact CA-O 3.26Å; Q321-R371 WeakPolarHBondContact CA-O 3.43Å; Q321-N387 WeakPolarHBondContact CB-O 3.34Å; Q321-N387 HydrophobicContact CG-CB 4.16Å; Q321-N387 PolarHBondContact N-O 3.47Å; Q321-V388 HydrophobicContact CB-CG2 3.96Å; Q321-V388 WeakPolarHBondContact O-CA 3.48Å; Q321-N389 PolarHBondContact O-N 3.46Å; Q321-L390 PolarHBondContact O-N 3.07Å
322	C	94.9	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.4	-179	-176.1	0	0	0	0	111	L314 F319 R371 V372 L373 L390	L314-C322 HydrophobicContact CD2-CB 4.42Å; F319-C322 HydrophobicContact CD2-CB 3.78Å; F319-C322 HydrophobicContact CE2-CB 3.53Å; F319-C322 HydrophobicContact CZ-CB 4.17Å; C322-R371 PolarHBondContact N-O 2.98Å; C322-V372 HydrophobicContact CB-CG1 4.48Å; C322-V372 HydrophobicContact CB-CG2 4.25Å; C322-V372 WeakPolarHBondContact O-CA 3.31Å; C322-L373 PolarHBondContact O-N 3.13Å; C322-L390 VanDerWaalsContact CA-O 3.27Å; C322-L390 WeakPolarHBondContact CA-O 3.42Å; C322-L390 HydrophobicContact CB-CB 4.3Å; C322-L390 HydrophobicContact CB-CD2 4.41Å
323	L	94.6	Very high	92	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.4	162.8	-65.9	-176.9	0	0	0	109.9	F325 L365 L373 I383 V388 L390 V391 I392 R409	L323-F325 HydrophobicContact CB-CE2 4.18Å; L323-F325 HydrophobicContact CB-CZ 4.38Å; L323-F325 HydrophobicContact CD1-CZ 4.2Å; L323-L365 HydrophobicContact CD2-CD2 3.68Å; L323-L373 WeakPolarHBondContact CA-O 3.47Å; L323-L373 HydrophobicContact CD2-CB 3.7Å; L323-L373 HydrophobicContact CD2-CD2 4.03Å; L323-L373 HydrophobicContact CD2-CG 4.27Å; L323-I383 HydrophobicContact CD1-CB 4.38Å; L323-I383 HydrophobicContact CD1-CG2 4.06Å; L323-I383 HydrophobicContact CD2-CG2 4.11Å; L323-V388 HydrophobicContact CB-CG1 4.35Å; L323-V388 HydrophobicContact CD1-CG1 4.15Å; L323-V388 HydrophobicContact CD1-CG2 4.36Å; L323-V388 HydrophobicContact CD2-CG2 4.27Å; L323-V388 HydrophobicContact CG-CB 4.46Å; L323-V388 HydrophobicContact CG-CG1 3.8Å; L323-V388 HydrophobicContact CG-CG2 3.87Å; L323-L390 PolarHBondContact N-O 3.38Å; L323-V391 HydrophobicContact CB-CG2 4.47Å; L323-V391 CarbonylContact O-C 3.51Å; L323-V391 WeakPolarHBondContact O-CA 3.08Å; L323-I392 PolarHBondContact O-N 2.9Å; L323-R409 HydrophobicContact CD1-CB 3.68Å; L323-R409 HydrophobicContact CD1-CG 3.84Å
324	I	95.3	Very high	91.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.3	174.8	-53.4	174.5	0	0	0	108.8	L310 L314 L335 L339 V372 L373 I374 T375 I392	L310-I324 HydrophobicContact CD1-CD1 3.9Å; L310-I324 HydrophobicContact CD1-CG1 4.5Å; L310-I324 HydrophobicContact CD2-CD1 3.99Å; L310-I324 HydrophobicContact CD2-CG2 4.47Å; L310-I324 HydrophobicContact CG-CD1 4.38Å; L314-I324 HydrophobicContact CD1-CD1 4.41Å; I324-L335 HydrophobicContact CG2-CD2 3.83Å; I324-L339 HydrophobicContact CD1-CD1 3.84Å; I324-V372 HydrophobicContact CD1-CG1 3.33Å; I324-V372 HydrophobicContact CG1-CG1 3.84Å; I324-L373 PolarHBondContact N-O 2.99Å; I324-I374 HydrophobicContact CB-CG1 4.2Å; I324-I374 HydrophobicContact CD1-CG1 4.45Å; I324-I374 CarbonylContact O-C 3.59Å; I324-I374 VanDerWaalsContact O-CA 3.3Å; I324-I374 WeakPolarHBondContact O-CA 3.48Å; I324-T375 PolarHBondContact O-N 2.87Å; I324-I392 CarbonylContact C-O 3.56Å; I324-I392 VanDerWaalsContact CA-O 3.28Å; I324-I392 WeakPolarHBondContact CA-O 3.47Å; I324-I392 HydrophobicContact CG1-CB 4.33Å
325	F	94.5	Very high	91.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.9	179	-71.5	-67.9	0	0	0	111.9	L323 T375 V391 I392 L394 R406 R409	L323-F325 HydrophobicContact CB-CE2 4.18Å; L323-F325 HydrophobicContact CB-CZ 4.38Å; L323-F325 HydrophobicContact CD1-CZ 4.2Å; F325-T375 WeakPolarHBondContact CA-O 3.49Å; F325-T375 HydrophobicContact CD1-CG2 3.59Å; F325-T375 HydrophobicContact CE1-CG2 3.26Å; F325-T375 HydrophobicContact CG-CG2 4.43Å; F325-T375 HydrophobicContact CZ-CG2 3.96Å; F325-V391 HydrophobicContact CD2-CG1 3.68Å; F325-V391 HydrophobicContact CE2-CG1 3.63Å; F325-I392 PolarHBondContact N-O 3.45Å; F325-L394 VanDerWaalsContact O-CB 3.26Å; F325-L394 WeakPolarHBondContact O-CB 3.36Å; F325-L394 PolarHBondContact O-N 3.09Å; F325-R406 HydrophobicContact CB-CG 4.31Å; F325-R406 HydrophobicContact CD1-CG 4.03Å; F325-R406 HydrophobicContact CD2-CB 3.68Å; F325-R406 HydrophobicContact CD2-CG 3.52Å; F325-R406 HydrophobicContact CE1-CG 4.32Å; F325-R406 HydrophobicContact CE2-CB 3.72Å; F325-R406 HydrophobicContact CE2-CG 3.78Å; F325-R406 HydrophobicContact CG-CB 4.34Å; F325-R406 HydrophobicContact CG-CG 3.65Å; F325-R406 HydrophobicContact CZ-CB 4.45Å; F325-R406 HydrophobicContact CZ-CG 4.18Å; F325-R409 HydrophobicContact CE2-CG 4.26Å; F325-R409 HydrophobicContact CZ-CG 3.95Å
326	S	92.4	Very high	91.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.1	170	177.8	0	0	0	0	109.8	F328 N331 T375 T376 E395	S326-F328 PolarHBondContact O-N 2.97Å; S326-F328 PolarHBondContact OG-N 2.81Å; S326-F328 PolarHBondContact OG-O 2.99Å; S326-N331 WeakPolarHBondContact OG-CB 3.5Å; S326-T375 PolarHBondContact N-O 3.43Å; S326-T376 WeakPolarHBondContact O-CA 3.33Å; S326-E395 VanDerWaalsContact CA-OE2 3.28Å; S326-E395 WeakPolarHBondContact CA-OE2 3.24Å
327	N	89.9	Confident	91.6	Very high	16 Å²	16	41.3 Å²	41.3	9%	0.086	20%	0.203	C	C	.	.	S	Bend	trans	-66.4	-29.6	171.4	-70.6	22.9	0	0	0	110.8	E395 V396 W398 R406	N327-E395 HydrophobicContact CB-CB 4.26Å; N327-E395 PolarHBondContact N-OE2 3.1Å; N327-V396 PolarHBondContact ND2-O 3.37Å; N327-W398 HydrophobicContact CB-CH2 3.68Å; N327-W398 HydrophobicContact CB-CZ2 3.68Å; N327-W398 HydrophobicContact CB-CZ3 4.31Å; N327-W398 WeakPolarHBondContact O-CH2 3.49Å; N327-R406 PolarHBondContact OD1-NH1 2.63Å; N327-R406 PolarHBondContact OD1-NH2 2.73Å
328	F	87.6	Confident	91.6	Very high	102 Å²	102	41.7 Å²	41.7	45%	0.447	21%	0.207	S	C	.	.	S	Bend	trans	-107.4	133.4	-173.4	-55.1	-75.9	0	0	0	111.9	S326 N331 E395 W398	S326-F328 PolarHBondContact O-N 2.97Å; S326-F328 PolarHBondContact OG-N 2.81Å; S326-F328 PolarHBondContact OG-O 2.99Å; F328-N331 HydrophobicContact CB-CB 4.18Å; F328-E395 HydrophobicContact CD2-CG 4.39Å; F328-E395 HydrophobicContact CE2-CG 4.21Å; F328-W398 HydrophobicContact CE1-CZ2 4.41Å
329	H	82.4	Confident	91.8	Very high	94 Å²	94	35.5 Å²	35.5	44%	0.435	18%	0.178	S	C	.	.	H	α-helix	trans	-70.5	-37	-177.9	59.2	-89.8	0	0	0	113.5	N331 A332 T376	H329-N331 VanDerWaalsContact C-N 3.31Å; H329-N331 PolarHBondContact O-N 2.86Å; H329-A332 WeakPolarHBondContact O-CB 3.14Å; H329-A332 PolarHBondContact O-N 2.92Å; H329-T376 HydrophobicContact CB-CG2 4.17Å
330	N	83.7	Confident	91.8	Very high	106 Å²	106	37.9 Å²	37.9	57%	0.567	20%	0.195	S	C	*	.	H	α-helix	trans	-61.8	-41.9	177.3	-66.3	-24.5	0	0	0	111.3	A332 Q333 D334	N330-A332 PolarHBondContact O-N 3.37Å; N330-Q333 PolarHBondContact O-N 3.28Å; N330-D334 PolarHBondContact O-N 3.12Å
331	N	85.5	Confident	91.9	Very high	35 Å²	35	37.5 Å²	37.5	19%	0.187	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-27.1	178.6	-70.4	10.7	0	0	0	113	F303 S326 F328 H329 Q333 L335 E395	F303-N331 HydrophobicContact CE2-CB 3.75Å; F303-N331 HydrophobicContact CZ-CB 4.29Å; S326-N331 WeakPolarHBondContact OG-CB 3.5Å; F328-N331 HydrophobicContact CB-CB 4.18Å; H329-N331 VanDerWaalsContact C-N 3.31Å; H329-N331 PolarHBondContact O-N 2.86Å; N331-Q333 PolarHBondContact O-N 3.24Å; N331-L335 WeakPolarHBondContact O-CB 3.38Å; N331-L335 PolarHBondContact O-N 2.97Å; N331-E395 PolarHBondContact ND2-OE1 3.31Å
332	A	88.6	Confident	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-41.3	-175.8	0	0	0	0	0	112.2	H329 N330 C336 Y348 I374 T376	H329-A332 WeakPolarHBondContact O-CB 3.14Å; H329-A332 PolarHBondContact O-N 2.92Å; N330-A332 PolarHBondContact O-N 3.37Å; A332-C336 WeakPolarHBondContact O-CB 3.22Å; A332-C336 PolarHBondContact O-N 3.24Å; A332-C336 VanDerWaalsContact O-N 3.12Å; A332-Y348 HydrophobicContact CB-CD2 4.43Å; A332-I374 HydrophobicContact CB-CG2 3.93Å; A332-T376 HydrophobicContact CB-CG2 4.2Å
333	Q	90.7	Very high	91.8	Very high	86 Å²	86	47.1 Å²	47.1	40%	0.402	26%	0.26	S	S	.	.	H	α-helix	trans	-72.6	-48.9	176.9	-177.5	174.6	-10.3	0	0	111	N330 N331 L335 C336 D337 Y348	N330-Q333 PolarHBondContact O-N 3.28Å; N331-Q333 PolarHBondContact O-N 3.24Å; Q333-L335 PolarHBondContact O-N 3.14Å; Q333-C336 WeakPolarHBondContact O-CA 3.41Å; Q333-C336 VanDerWaalsContact O-CB 3.29Å; Q333-C336 WeakPolarHBondContact O-CB 3.4Å; Q333-C336 PolarHBondContact O-N 3.5Å; Q333-D337 PolarHBondContact O-N 3.39Å; Q333-Y348 HydrophobicContact CB-CE2 4.13Å; Q333-Y348 HydrophobicContact CG-CE1 4.31Å
334	D	92.9	Very high	91.7	Very high	84 Å²	84	48.5 Å²	48.5	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-58	-39.1	178.6	-66.8	-26.3	0	0	0	111.7	F303 N330 A338	F303-D334 HydrophobicContact CE1-CB 4.01Å; F303-D334 HydrophobicContact CZ-CB 4.01Å; N330-D334 PolarHBondContact O-N 3.12Å; D334-A338 VanDerWaalsContact O-CB 3.27Å; D334-A338 WeakPolarHBondContact O-CB 3.35Å; D334-A338 PolarHBondContact O-N 2.81Å
335	L	94.9	Very high	91.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-40.7	175	178	63	0	0	0	111.7	F303 I307 L310 I324 N331 Q333 A338 L339 I374 L394	F303-L335 HydrophobicContact CZ-CB 4.14Å; I307-L335 HydrophobicContact CD1-CD1 4.38Å; I307-L335 HydrophobicContact CG1-CD1 3.8Å; L310-L335 HydrophobicContact CD2-CD1 3.59Å; L310-L335 HydrophobicContact CD2-CD2 4.21Å; L310-L335 HydrophobicContact CD2-CG 4.45Å; I324-L335 HydrophobicContact CG2-CD2 3.83Å; N331-L335 WeakPolarHBondContact O-CB 3.38Å; N331-L335 PolarHBondContact O-N 2.97Å; Q333-L335 PolarHBondContact O-N 3.14Å; L335-A338 PolarHBondContact O-N 3.29Å; L335-L339 HydrophobicContact CD1-CD1 4.2Å; L335-L339 HydrophobicContact CD1-CG 4.07Å; L335-L339 HydrophobicContact CG-CD1 4.26Å; L335-L339 HydrophobicContact CG-CG 4.46Å; L335-L339 WeakPolarHBondContact O-CG 3.45Å; L335-L339 PolarHBondContact O-N 2.9Å; L335-I374 HydrophobicContact CB-CD1 4.01Å; L335-I374 HydrophobicContact CD2-CD1 3.81Å; L335-I374 HydrophobicContact CD2-CG1 3.92Å; L335-I374 HydrophobicContact CD2-CG2 3.98Å; L335-I374 HydrophobicContact CG-CD1 3.59Å; L335-I374 HydrophobicContact CG-CG1 4.26Å; L335-L394 HydrophobicContact CD2-CD2 4.17Å
336	C	94.1	Very high	91.5	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.054	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-48.8	177	-170.2	0	0	0	0	110.5	A332 Q333 A338 L339 C340 Y348 I374	A332-C336 WeakPolarHBondContact O-CB 3.22Å; A332-C336 PolarHBondContact O-N 3.24Å; A332-C336 VanDerWaalsContact O-N 3.12Å; Q333-C336 WeakPolarHBondContact O-CA 3.41Å; Q333-C336 VanDerWaalsContact O-CB 3.29Å; Q333-C336 WeakPolarHBondContact O-CB 3.4Å; Q333-C336 PolarHBondContact O-N 3.5Å; C336-A338 VanDerWaalsContact C-N 3.33Å; C336-A338 PolarHBondContact O-N 3.43Å; C336-L339 PolarHBondContact O-N 3.36Å; C336-C340 VanDerWaalsContact O-CB 3.32Å; C336-C340 WeakPolarHBondContact O-CB 3.47Å; C336-C340 PolarHBondContact O-N 2.91Å; C336-C340 PolarHBondContact O-SG 2.84Å; C336-Y348 HydrophobicContact CB-CD1 3.79Å; C336-Y348 HydrophobicContact CB-CG 4.21Å; C336-I374 VanDerWaalsContact CA-CD1 3.4Å; C336-I374 HydrophobicContact CB-CD1 3.76Å; C336-I374 VanDerWaalsContact N-CD1 3.33Å
337	D	94.1	Very high	91.5	Very high	90 Å²	90	53.4 Å²	53.4	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-39.9	179	-66.8	-20	0	0	0	111.5	Q333 L339 S341	Q333-D337 PolarHBondContact O-N 3.39Å; D337-L339 PolarHBondContact O-N 2.78Å; D337-S341 WeakPolarHBondContact O-CB 3.2Å; D337-S341 PolarHBondContact O-N 3.48Å; D337-S341 PolarHBondContact O-OG 2.88Å
338	A	95.3	Very high	91.7	Very high	14 Å²	14	54.6 Å²	54.6	12%	0.116	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-38.2	175.5	0	0	0	0	0	113.2	I307 D334 L335 C336 S341 R342	I307-A338 HydrophobicContact CD1-CB 3.83Å; I307-A338 HydrophobicContact CG2-CB 4.35Å; D334-A338 VanDerWaalsContact O-CB 3.27Å; D334-A338 WeakPolarHBondContact O-CB 3.35Å; D334-A338 PolarHBondContact O-N 2.81Å; L335-A338 PolarHBondContact O-N 3.29Å; C336-A338 VanDerWaalsContact C-N 3.33Å; C336-A338 PolarHBondContact O-N 3.43Å; A338-S341 PolarHBondContact O-OG 3.34Å; A338-R342 WeakPolarHBondContact O-CG 3.27Å; A338-R342 PolarHBondContact O-NH1 3.38Å
339	L	96	Very high	91.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-78.4	-39.4	177.6	-68.8	-178.5	0	0	0	112.1	L310 L314 I324 L335 C336 D337 S341 R342 G343 W344 V346 V372 I374	L310-L339 HydrophobicContact CD2-CD1 4.22Å; L310-L339 HydrophobicContact CD2-CD2 4.28Å; L314-L339 HydrophobicContact CD1-CD1 4.38Å; L314-L339 HydrophobicContact CD1-CD2 4.17Å; I324-L339 HydrophobicContact CD1-CD1 3.84Å; L335-L339 HydrophobicContact CD1-CD1 4.2Å; L335-L339 HydrophobicContact CD1-CG 4.07Å; L335-L339 HydrophobicContact CG-CD1 4.26Å; L335-L339 HydrophobicContact CG-CG 4.46Å; L335-L339 WeakPolarHBondContact O-CG 3.45Å; L335-L339 PolarHBondContact O-N 2.9Å; C336-L339 PolarHBondContact O-N 3.36Å; D337-L339 PolarHBondContact O-N 2.78Å; L339-S341 PolarHBondContact O-N 2.89Å; L339-R342 CarbonylContact O-C 3.46Å; L339-R342 WeakPolarHBondContact O-CA 3.22Å; L339-R342 PolarHBondContact O-N 3.28Å; L339-G343 PolarHBondContact O-N 3.48Å; L339-W344 HydrophobicContact CB-CB 4.2Å; L339-W344 PolarHBondContact O-N 3.48Å; L339-W344 VanDerWaalsContact O-N 3.13Å; L339-V346 HydrophobicContact CB-CB 4.41Å; L339-V346 HydrophobicContact CB-CG2 3.57Å; L339-V346 HydrophobicContact CD1-CG1 4.34Å; L339-V346 HydrophobicContact CD1-CG2 4.04Å; L339-V346 HydrophobicContact CG-CG2 4.48Å; L339-V372 HydrophobicContact CD1-CG1 4.47Å; L339-I374 HydrophobicContact CD1-CD1 4.21Å
340	C	94.4	Very high	91.9	Very high	58 Å²	58	45.3 Å²	45.3	39%	0.392	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-44	175.2	-76.3	0	0	0	0	111.8	C336 R342 G343	C336-C340 VanDerWaalsContact O-CB 3.32Å; C336-C340 WeakPolarHBondContact O-CB 3.47Å; C336-C340 PolarHBondContact O-N 2.91Å; C336-C340 PolarHBondContact O-SG 2.84Å; C340-R342 PolarHBondContact O-N 3.32Å; C340-R342 VanDerWaalsContact O-N 3.14Å; C340-G343 PolarHBondContact O-N 3.45Å
341	S	94.9	Very high	91.7	Very high	93 Å²	93	43.6 Å²	43.6	65%	0.65	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.9	175.6	56.3	0	0	0	0	113.9	D337 A338 L339	D337-S341 WeakPolarHBondContact O-CB 3.2Å; D337-S341 PolarHBondContact O-N 3.48Å; D337-S341 PolarHBondContact O-OG 2.88Å; A338-S341 PolarHBondContact O-OG 3.34Å; L339-S341 PolarHBondContact O-N 2.89Å
342	R	94.1	Very high	91.5	Very high	137 Å²	137	45.8 Å²	45.8	52%	0.517	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5.9	174.2	-66.8	173.6	175	79.1	-4.1	113.2	C311 A338 L339 C340	C311-R342 WeakPolarHBondContact SG-CD 3.36Å; A338-R342 WeakPolarHBondContact O-CG 3.27Å; A338-R342 PolarHBondContact O-NH1 3.38Å; L339-R342 CarbonylContact O-C 3.46Å; L339-R342 WeakPolarHBondContact O-CA 3.22Å; L339-R342 PolarHBondContact O-N 3.28Å; C340-R342 PolarHBondContact O-N 3.32Å; C340-R342 VanDerWaalsContact O-N 3.14Å
343	G	92.1	Very high	91.4	Very high	65 Å²	65	47.2 Å²	47.2	67%	0.67	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	9	174.2	0	0	0	0	0	115.7	L339 C340	L339-G343 PolarHBondContact O-N 3.48Å; C340-G343 PolarHBondContact O-N 3.45Å
344	W	92.9	Very high	91.4	Very high	30 Å²	30	50.2 Å²	50.2	11%	0.114	30%	0.295	C	S	.	.			trans	-80.2	134.9	176.4	-74	99.6	0	0	0	111.7	L314 N315 F319 L339 V346 V372	L314-W344 HydrophobicContact CB-CH2 3.79Å; L314-W344 HydrophobicContact CB-CZ2 3.42Å; L314-W344 VanDerWaalsContact CB-CZ2 3.42Å; L314-W344 HydrophobicContact CD1-CD2 4.38Å; L314-W344 WeakPolarHBondContact O-CH2 3.04Å; N315-W344 VanDerWaalsContact OD1-CZ2 3.25Å; N315-W344 WeakPolarHBondContact OD1-CZ2 3.17Å; F319-W344 HydrophobicContact CE1-CH2 4.35Å; F319-W344 HydrophobicContact CE1-CZ3 4.38Å; F319-W344 HydrophobicContact CZ-CH2 4.28Å; F319-W344 AromaticContact CZ-CZ3 3.87Å; F319-W344 HydrophobicContact CZ-CZ3 3.87Å; L339-W344 HydrophobicContact CB-CB 4.2Å; L339-W344 PolarHBondContact O-N 3.48Å; L339-W344 VanDerWaalsContact O-N 3.13Å; W344-V346 HydrophobicContact CB-CG2 3.46Å; W344-V346 VanDerWaalsContact CB-CG2 3.46Å; W344-V346 WeakPolarHBondContact O-CG2 3.38Å; W344-V346 PolarHBondContact O-N 2.99Å; W344-V372 HydrophobicContact CE3-CG2 4.28Å
345	P	91.1	Very high	91.1	Very high	68 Å²	68	46.5 Å²	46.5	44%	0.442	28%	0.275	S	S	.	.			trans	-76.7	87.3	173.6	30.8	-34.1	0	0	0	110.2	C370 R371 V372	P345-C370 PolarHBondContact O-SG 3.42Å; P345-R371 HydrophobicContact CG-CB 3.81Å; P345-R371 PolarHBondContact O-N 3.15Å; P345-V372 PolarHBondContact O-N 2.84Å
346	V	93.9	Very high	90.7	Very high	19 Å²	19	48.2 Å²	48.2	12%	0.115	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	146.3	-172.1	-170.7	0	0	0	0	111.6	L339 W344 V372 I374	L339-V346 HydrophobicContact CB-CB 4.41Å; L339-V346 HydrophobicContact CB-CG2 3.57Å; L339-V346 HydrophobicContact CD1-CG1 4.34Å; L339-V346 HydrophobicContact CD1-CG2 4.04Å; L339-V346 HydrophobicContact CG-CG2 4.48Å; W344-V346 HydrophobicContact CB-CG2 3.46Å; W344-V346 VanDerWaalsContact CB-CG2 3.46Å; W344-V346 WeakPolarHBondContact O-CG2 3.38Å; W344-V346 PolarHBondContact O-N 2.99Å; V346-V372 VanDerWaalsContact CA-O 3.29Å; V346-V372 WeakPolarHBondContact CA-O 3.01Å; V346-V372 HydrophobicContact CG1-CB 4.39Å; V346-V372 HydrophobicContact CG1-CG1 4.27Å; V346-V372 WeakPolarHBondContact CG1-O 3.43Å; V346-V372 HydrophobicContact CG2-CB 4Å; V346-V372 HydrophobicContact CG2-CG1 4.34Å; V346-I374 HydrophobicContact CG1-CD1 3.43Å; V346-I374 VanDerWaalsContact CG1-CD1 3.43Å; V346-I374 HydrophobicContact CG1-CG1 3.81Å
347	S	93.3	Very high	90.6	Very high	17 Å²	17	52 Å²	52	12%	0.119	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.8	165.4	-165	0	0	0	0	108.4	C370 V372 L373 I374	S347-C370 PolarHBondContact N-SG 3.24Å; S347-V372 PolarHBondContact N-O 3.46Å; S347-V372 VanDerWaalsContact N-O 3.09Å; S347-L373 WeakPolarHBondContact O-CA 3.45Å; S347-I374 PolarHBondContact O-N 3.09Å
348	Y	92.6	Very high	90.3	Very high	40 Å²	40	48.6 Å²	48.6	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.9	176.2	77.6	-82.1	0	0	0	111.8	A332 Q333 C336 L353 I374	A332-Y348 HydrophobicContact CB-CD2 4.43Å; Q333-Y348 HydrophobicContact CB-CE2 4.13Å; Q333-Y348 HydrophobicContact CG-CE1 4.31Å; C336-Y348 HydrophobicContact CB-CD1 3.79Å; C336-Y348 HydrophobicContact CB-CG 4.21Å; Y348-L353 HydrophobicContact CD2-CD1 4.21Å; Y348-L353 HydrophobicContact CE2-CD1 3.89Å; Y348-L353 HydrophobicContact CE2-CD2 4.09Å; Y348-L353 HydrophobicContact CE2-CG 3.96Å; Y348-L353 WeakPolarHBondContact O-CD1 3.42Å; Y348-I374 CarbonylContact C-O 3.5Å; Y348-I374 WeakPolarHBondContact CA-O 3.45Å
349	I	89.1	Confident	89.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.7	169.1	-64	175	0	0	0	108	R358 A361 F362 L373 I374 T376 T379	I349-R358 HydrophobicContact CG2-CB 4.35Å; I349-R358 HydrophobicContact CG2-CG 4.04Å; I349-A361 HydrophobicContact CD1-CB 4.15Å; I349-A361 HydrophobicContact CG1-CB 3.68Å; I349-F362 HydrophobicContact CD1-CB 4.37Å; I349-L373 HydrophobicContact CD1-CD1 4.31Å; I349-L373 HydrophobicContact CD1-CD2 3.95Å; I349-L373 HydrophobicContact CG1-CD1 4.14Å; I349-I374 PolarHBondContact N-O 3.1Å; I349-T376 PolarHBondContact O-N 3.08Å; I349-T379 HydrophobicContact CB-CG2 4.47Å; I349-T379 HydrophobicContact CG2-CG2 3.37Å
350	S	85.8	Confident	89.6	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	32%	0.322	C	S	.	.			trans	-135	174.1	174.7	70.2	0	0	0	0	110.3	S352 R358	S350-S352 VanDerWaalsContact C-N 3.25Å; S350-S352 PolarHBondContact O-N 3.23Å; S350-S352 PolarHBondContact OG-N 3.09Å; S350-S352 PolarHBondContact OG-OG 3.45Å; S350-R358 PolarHBondContact O-NH1 2.89Å
351	S	79.5	Confident	89.4	Confident	71 Å²	71	55.1 Å²	55.1	50%	0.497	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.1	171.9	53.3	0	0	0	0	113.8	L353	S351-L353 VanDerWaalsContact C-N 3.34Å
352	S	82	Confident	88.9	Confident	81 Å²	81	50.7 Å²	50.7	57%	0.566	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.8	178.4	56	0	0	0	0	113.4	S350	S350-S352 VanDerWaalsContact C-N 3.25Å; S350-S352 PolarHBondContact O-N 3.23Å; S350-S352 PolarHBondContact OG-N 3.09Å; S350-S352 PolarHBondContact OG-OG 3.45Å
353	L	86.7	Confident	88.5	Confident	30 Å²	30	47.2 Å²	47.2	16%	0.157	27%	0.266	C	S	.	.	S	Bend	trans	-79.4	145.2	177.8	-64.9	-179	0	0	0	112	Y348 S351 E357 R358	Y348-L353 HydrophobicContact CD2-CD1 4.21Å; Y348-L353 HydrophobicContact CE2-CD1 3.89Å; Y348-L353 HydrophobicContact CE2-CD2 4.09Å; Y348-L353 HydrophobicContact CE2-CG 3.96Å; Y348-L353 WeakPolarHBondContact O-CD1 3.42Å; S351-L353 VanDerWaalsContact C-N 3.34Å; L353-E357 HydrophobicContact CB-CB 4.32Å; L353-R358 HydrophobicContact CB-CG 3.86Å
354	E	89.1	Confident	88.4	Confident	149 Å²	149	48.7 Å²	48.7	70%	0.696	25%	0.254	S	S	*	.			trans	-67.2	155	170.1	-66.9	-172	171.8	0	0	111.1	G356 E357 R358	E354-G356 VanDerWaalsContact C-N 3.26Å; E354-G356 PolarHBondContact O-N 3.12Å; E354-E357 HydrophobicContact CB-CG 4.4Å; E354-E357 PolarHBondContact N-OE2 3.2Å; E354-E357 WeakPolarHBondContact O-CB 3.2Å; E354-E357 PolarHBondContact O-N 3.42Å; E354-R358 WeakPolarHBondContact O-CG 3.38Å; E354-R358 PolarHBondContact O-N 2.89Å
355	Q	86.8	Confident	88.1	Confident	5 Å²	5	47.2 Å²	47.2	2%	0.023	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-36.7	-175.3	-169.5	57.4	32.1	0	0	113	E137 L165 E357 R358 F359	E137-Q355 PolarHBondContact OE1-NE2 3.37Å; L165-Q355 HydrophobicContact CD2-CB 4.18Å; L165-Q355 HydrophobicContact CD2-CG 4.08Å; L165-Q355 HydrophobicContact CG-CG 4.38Å; Q355-E357 VanDerWaalsContact C-N 3.29Å; Q355-E357 PolarHBondContact O-N 2.91Å; Q355-R358 PolarHBondContact O-N 3.46Å; Q355-F359 HydrophobicContact CG-CD2 4.29Å; Q355-F359 HydrophobicContact CG-CE2 3.85Å; Q355-F359 HydrophobicContact CG-CZ 4.01Å; Q355-F359 VanDerWaalsContact NE2-CZ 3.28Å; Q355-F359 PolarHBondContact O-N 2.92Å; Q355-F359 VanDerWaalsContact O-N 3.08Å
356	G	87.9	Confident	87.7	Confident	36 Å²	36	45.7 Å²	45.7	37%	0.371	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-37	175.7	0	0	0	0	0	112.7	E354 R360	E354-G356 VanDerWaalsContact C-N 3.26Å; E354-G356 PolarHBondContact O-N 3.12Å; G356-R360 WeakPolarHBondContact O-CG 3.35Å; G356-R360 PolarHBondContact O-N 3.48Å; G356-R360 VanDerWaalsContact O-N 3.11Å
357	E	90.1	Very high	87.3	Confident	87 Å²	87	48.1 Å²	48.1	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-72.6	-39.1	177.5	-60.7	-176.9	125.8	0	0	111.9	L353 E354 Q355 F359 R360 A361	L353-E357 HydrophobicContact CB-CB 4.32Å; E354-E357 HydrophobicContact CB-CG 4.4Å; E354-E357 PolarHBondContact N-OE2 3.2Å; E354-E357 WeakPolarHBondContact O-CB 3.2Å; E354-E357 PolarHBondContact O-N 3.42Å; Q355-E357 VanDerWaalsContact C-N 3.29Å; Q355-E357 PolarHBondContact O-N 2.91Å; E357-F359 VanDerWaalsContact C-N 3.33Å; E357-F359 PolarHBondContact O-N 3.02Å; E357-R360 WeakPolarHBondContact O-CB 3.49Å; E357-R360 PolarHBondContact O-N 3.45Å; E357-R360 VanDerWaalsContact O-N 3.12Å; E357-A361 PolarHBondContact O-N 3.31Å
358	R	88.6	Confident	87	Confident	20 Å²	20	52.5 Å²	52.5	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-45.4	174	-64.1	174.5	55	139.8	-11.7	111.3	E137 I349 S350 L353 E354 Q355 R360 A361 F362	E137-R358 IonicContact OE1-CZ 2.74Å; E137-R358 VanDerWaalsContact OE1-CZ 3.23Å; E137-R358 IonicContact OE1-NE 3.92Å; E137-R358 PolarHBondContact OE1-NE 2.92Å; E137-R358 IonicContact OE1-NH2 3.55Å; E137-R358 PolarHBondContact OE1-NH2 3.28Å; E137-R358 IonicContact OE2-NH2 2.63Å; E137-R358 PolarHBondContact OE2-NH2 2.76Å; I349-R358 HydrophobicContact CG2-CB 4.35Å; I349-R358 HydrophobicContact CG2-CG 4.04Å; S350-R358 PolarHBondContact O-NH1 2.89Å; L353-R358 HydrophobicContact CB-CG 3.86Å; E354-R358 WeakPolarHBondContact O-CG 3.38Å; E354-R358 PolarHBondContact O-N 2.89Å; Q355-R358 PolarHBondContact O-N 3.46Å; R358-R360 PolarHBondContact O-N 3.47Å; R358-A361 PolarHBondContact O-N 2.71Å; R358-F362 WeakPolarHBondContact O-CB 3.18Å; R358-F362 PolarHBondContact O-N 2.82Å
359	F	87	Confident	86.8	Confident	25 Å²	25	57.2 Å²	57.2	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-35.9	174.8	-69	-28.3	0	0	0	113	F140 L160 L165 Q355 E357 F362 N363	F140-F359 HydrophobicContact CB-CE1 3.85Å; F140-F359 HydrophobicContact CB-CZ 4.08Å; F140-F359 HydrophobicContact CD1-CD1 4.29Å; F140-F359 HydrophobicContact CD1-CE1 4.28Å; F140-F359 HydrophobicContact CG-CD1 4.47Å; F140-F359 HydrophobicContact CG-CE1 4.06Å; F140-F359 HydrophobicContact CG-CZ 4.3Å; L160-F359 HydrophobicContact CD2-CE2 4.33Å; L160-F359 HydrophobicContact CD2-CZ 4Å; L165-F359 HydrophobicContact CD1-CE2 4.24Å; L165-F359 HydrophobicContact CD2-CE2 4.47Å; Q355-F359 HydrophobicContact CG-CD2 4.29Å; Q355-F359 HydrophobicContact CG-CE2 3.85Å; Q355-F359 HydrophobicContact CG-CZ 4.01Å; Q355-F359 VanDerWaalsContact NE2-CZ 3.28Å; Q355-F359 PolarHBondContact O-N 2.92Å; Q355-F359 VanDerWaalsContact O-N 3.08Å; E357-F359 VanDerWaalsContact C-N 3.33Å; E357-F359 PolarHBondContact O-N 3.02Å; F359-F362 PolarHBondContact O-N 3.3Å; F359-N363 WeakPolarHBondContact O-CB 3.39Å; F359-N363 VanDerWaalsContact O-CG 3.28Å; F359-N363 PolarHBondContact O-N 2.85Å; F359-N363 PolarHBondContact O-ND2 2.94Å
360	R	89.8	Confident	86.8	Confident	177 Å²	177	57.4 Å²	57.4	67%	0.668	29%	0.291	S	S	*	.	H	α-helix	trans	-64.4	-46.1	173.5	-72.3	173.8	-172.4	176.8	3.3	112	G356 E357 R358 F362 N363 K364	G356-R360 WeakPolarHBondContact O-CG 3.35Å; G356-R360 PolarHBondContact O-N 3.48Å; G356-R360 VanDerWaalsContact O-N 3.11Å; E357-R360 WeakPolarHBondContact O-CB 3.49Å; E357-R360 PolarHBondContact O-N 3.45Å; E357-R360 VanDerWaalsContact O-N 3.12Å; R358-R360 PolarHBondContact O-N 3.47Å; R360-F362 VanDerWaalsContact C-N 3.3Å; R360-F362 PolarHBondContact O-N 2.81Å; R360-N363 PolarHBondContact O-N 3.38Å; R360-K364 WeakPolarHBondContact O-CG 3.39Å; R360-K364 PolarHBondContact O-N 2.97Å
361	A	89.4	Confident	87.2	Confident	6 Å²	6	61.2 Å²	61.2	5%	0.05	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-41.7	176.9	0	0	0	0	0	111.3	I349 E357 R358 K364 L365 L373	I349-A361 HydrophobicContact CD1-CB 4.15Å; I349-A361 HydrophobicContact CG1-CB 3.68Å; E357-A361 PolarHBondContact O-N 3.31Å; R358-A361 PolarHBondContact O-N 2.71Å; A361-K364 WeakPolarHBondContact O-CB 3.41Å; A361-K364 PolarHBondContact O-N 3.31Å; A361-L365 PolarHBondContact O-N 3.16Å; A361-L373 HydrophobicContact CB-CD1 4.45Å
362	F	84.5	Confident	87.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-46.5	174.4	-177.2	-110.6	0	0	0	112.6	F140 Q141 I349 R358 F359 R360 K364 L365 R366 I383 D384	F140-F362 HydrophobicContact CD1-CD1 4.37Å; F140-F362 HydrophobicContact CD1-CE1 4.35Å; F140-F362 HydrophobicContact CE1-CD1 4.42Å; Q141-F362 HydrophobicContact CG-CE1 4.11Å; Q141-F362 HydrophobicContact CG-CZ 3.89Å; Q141-F362 VanDerWaalsContact NE2-CE2 3.28Å; I349-F362 HydrophobicContact CD1-CB 4.37Å; R358-F362 WeakPolarHBondContact O-CB 3.18Å; R358-F362 PolarHBondContact O-N 2.82Å; F359-F362 PolarHBondContact O-N 3.3Å; R360-F362 VanDerWaalsContact C-N 3.3Å; R360-F362 PolarHBondContact O-N 2.81Å; F362-K364 VanDerWaalsContact C-N 3.32Å; F362-K364 PolarHBondContact O-N 2.91Å; F362-L365 PolarHBondContact O-N 3.39Å; F362-L365 VanDerWaalsContact O-N 3.17Å; F362-R366 HydrophobicContact CE1-CG 4.09Å; F362-R366 HydrophobicContact CE2-CG 4.41Å; F362-R366 HydrophobicContact CZ-CG 3.95Å; F362-R366 PolarHBondContact O-N 2.93Å; F362-I383 HydrophobicContact CD2-CG1 4.48Å; F362-I383 HydrophobicContact CD2-CG2 4.29Å; F362-I383 HydrophobicContact CE2-CB 4.4Å; F362-I383 HydrophobicContact CE2-CG2 4.02Å; F362-D384 HydrophobicContact CZ-CB 4.13Å; F362-D384 WeakPolarHBondContact CZ-O 3.21Å
363	N	85.9	Confident	88.5	Confident	64 Å²	64	54 Å²	54	34%	0.342	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-34.3	177	-74.9	-15.2	0	0	0	112.7	F359 R360 L365 R366 T367	F359-N363 WeakPolarHBondContact O-CB 3.39Å; F359-N363 VanDerWaalsContact O-CG 3.28Å; F359-N363 PolarHBondContact O-N 2.85Å; F359-N363 PolarHBondContact O-ND2 2.94Å; R360-N363 PolarHBondContact O-N 3.38Å; N363-L365 VanDerWaalsContact C-N 3.3Å; N363-L365 PolarHBondContact O-N 3.32Å; N363-R366 PolarHBondContact O-N 3.41Å; N363-T367 WeakPolarHBondContact O-CB 3.34Å; N363-T367 WeakPolarHBondContact O-CG2 3.09Å; N363-T367 PolarHBondContact O-N 2.76Å; N363-T367 PolarHBondContact O-OG1 3.32Å
364	K	90	Very high	88.8	Confident	96 Å²	96	52.6 Å²	52.6	42%	0.417	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-39.5	173.2	-75.8	177.5	177	-177.3	0	112	R360 A361 F362 F368 Q369 C370	R360-K364 WeakPolarHBondContact O-CG 3.39Å; R360-K364 PolarHBondContact O-N 2.97Å; A361-K364 WeakPolarHBondContact O-CB 3.41Å; A361-K364 PolarHBondContact O-N 3.31Å; F362-K364 VanDerWaalsContact C-N 3.32Å; F362-K364 PolarHBondContact O-N 2.91Å; K364-F368 PolarHBondContact O-N 3.41Å; K364-Q369 HydrophobicContact CB-CB 4.19Å; K364-Q369 HydrophobicContact CG-CB 4.32Å; K364-Q369 WeakPolarHBondContact O-CA 3.26Å; K364-Q369 PolarHBondContact O-N 3.42Å; K364-C370 HydrophobicContact CB-CB 4.08Å; K364-C370 PolarHBondContact O-N 3.4Å; K364-C370 VanDerWaalsContact O-N 3.08Å
365	L	87.4	Confident	88.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.1	-49.3	174.9	-175.3	70.4	0	0	0	110.7	Q321 L323 A361 F362 N363 T367 F368 L373 I383 A385	Q321-L365 HydrophobicContact CB-CD1 4.24Å; Q321-L365 HydrophobicContact CG-CD1 4.44Å; Q321-L365 PolarHBondContact NE2-O 3.12Å; L323-L365 HydrophobicContact CD2-CD2 3.68Å; A361-L365 PolarHBondContact O-N 3.16Å; F362-L365 PolarHBondContact O-N 3.39Å; F362-L365 VanDerWaalsContact O-N 3.17Å; N363-L365 VanDerWaalsContact C-N 3.3Å; N363-L365 PolarHBondContact O-N 3.32Å; L365-T367 PolarHBondContact O-N 3.18Å; L365-F368 PolarHBondContact O-N 3.43Å; L365-F368 VanDerWaalsContact O-N 3.09Å; L365-L373 HydrophobicContact CB-CD2 4.32Å; L365-L373 HydrophobicContact CD1-CB 4Å; L365-L373 HydrophobicContact CD2-CB 3.93Å; L365-L373 HydrophobicContact CD2-CD2 3.54Å; L365-L373 HydrophobicContact CD2-CG 4.36Å; L365-L373 HydrophobicContact CG-CB 4.41Å; L365-L373 HydrophobicContact CG-CD2 4.47Å; L365-I383 HydrophobicContact CD2-CG2 3.63Å; L365-A385 HydrophobicContact CD2-CB 3.35Å; L365-A385 HydrophobicContact CG-CB 3.84Å
366	R	83.2	Confident	88.8	Confident	35 Å²	35	45.6 Å²	45.6	13%	0.132	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-39.7	-179.7	-72.3	-175.2	73.3	105.4	-3.8	114.1	F362 N363 F368 D384	F362-R366 HydrophobicContact CE1-CG 4.09Å; F362-R366 HydrophobicContact CE2-CG 4.41Å; F362-R366 HydrophobicContact CZ-CG 3.95Å; F362-R366 PolarHBondContact O-N 2.93Å; N363-R366 PolarHBondContact O-N 3.41Å; R366-F368 PolarHBondContact O-N 3.33Å; R366-D384 IonicContact CZ-OD2 3.4Å; R366-D384 PolarHBondContact NH1-O 3.03Å; R366-D384 IonicContact NH1-OD2 2.97Å; R366-D384 PolarHBondContact NH1-OD2 3.32Å; R366-D384 IonicContact NH2-OD2 3.61Å
367	T	85.6	Confident	88	Confident	70 Å²	70	45.2 Å²	45.2	43%	0.429	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	9	179.4	56.7	0	0	0	0	113	N363 L365 Q369	N363-T367 WeakPolarHBondContact O-CB 3.34Å; N363-T367 WeakPolarHBondContact O-CG2 3.09Å; N363-T367 PolarHBondContact O-N 2.76Å; N363-T367 PolarHBondContact O-OG1 3.32Å; L365-T367 PolarHBondContact O-N 3.18Å; T367-Q369 PolarHBondContact O-N 2.95Å; T367-Q369 VanDerWaalsContact O-N 3.09Å; T367-Q369 WeakPolarHBondContact OG1-CG 3.27Å
368	F	86.9	Confident	86.6	Confident	110 Å²	110	46.9 Å²	46.9	48%	0.482	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	18	-178.1	-148	-92.6	0	0	0	114.3	Q321 K364 L365 R366 C370 N387	Q321-F368 HydrophobicContact CG-CD2 3.76Å; Q321-F368 HydrophobicContact CG-CE2 3.43Å; Q321-F368 VanDerWaalsContact CG-CE2 3.43Å; Q321-F368 HydrophobicContact CG-CZ 4.2Å; K364-F368 PolarHBondContact O-N 3.41Å; L365-F368 PolarHBondContact O-N 3.43Å; L365-F368 VanDerWaalsContact O-N 3.09Å; R366-F368 PolarHBondContact O-N 3.33Å; F368-C370 PolarHBondContact O-N 2.99Å; F368-N387 HydrophobicContact CE2-CB 4.28Å
369	Q	87.9	Confident	85.2	Confident	139 Å²	139	46 Å²	46	65%	0.65	21%	0.212	S	C	*	.	S	Bend	trans	-72.6	-15.7	172.8	-67.1	178.3	-3.4	0	0	112.5	K364 T367	K364-Q369 HydrophobicContact CB-CB 4.19Å; K364-Q369 HydrophobicContact CG-CB 4.32Å; K364-Q369 WeakPolarHBondContact O-CA 3.26Å; K364-Q369 PolarHBondContact O-N 3.42Å; T367-Q369 PolarHBondContact O-N 2.95Å; T367-Q369 VanDerWaalsContact O-N 3.09Å; T367-Q369 WeakPolarHBondContact OG1-CG 3.27Å
370	C	89.7	Confident	83.6	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.027	21%	0.208	C	C	.	.			trans	-131.5	133.6	175.4	178.5	0	0	0	0	109.6	Q321 P345 S347 K364 F368 V372	Q321-C370 PolarHBondContact NE2-O 3.3Å; P345-C370 PolarHBondContact O-SG 3.42Å; S347-C370 PolarHBondContact N-SG 3.24Å; K364-C370 HydrophobicContact CB-CB 4.08Å; K364-C370 PolarHBondContact O-N 3.4Å; K364-C370 VanDerWaalsContact O-N 3.08Å; F368-C370 PolarHBondContact O-N 2.99Å; C370-V372 VanDerWaalsContact SG-C 3.58Å; C370-V372 PolarHBondContact SG-O 3.3Å
371	R	92.8	Very high	82.5	Confident	81 Å²	81	37.5 Å²	37.5	31%	0.306	18%	0.18	S	C	.	.	S	Bend	trans	-91.6	-26.1	-180	-159.2	-177.2	168.6	-162.4	-5.2	112.2	F319 Q320 Q321 C322 P345	F319-R371 HydrophobicContact CE2-CG 3.99Å; F319-R371 PolarHBondContact O-NE 3.28Å; F319-R371 PolarHBondContact O-NH2 3.48Å; Q320-R371 WeakPolarHBondContact O-CG 3.3Å; Q320-R371 PolarHBondContact O-NE 2.79Å; Q321-R371 CarbonylContact C-O 3.45Å; Q321-R371 VanDerWaalsContact CA-O 3.26Å; Q321-R371 WeakPolarHBondContact CA-O 3.43Å; C322-R371 PolarHBondContact N-O 2.98Å; P345-R371 HydrophobicContact CG-CB 3.81Å; P345-R371 PolarHBondContact O-N 3.15Å
372	V	95.1	Very high	81.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	116.6	-176.6	-177.6	0	0	0	0	109.9	F319 C322 I324 L339 W344 P345 V346 S347 C370	F319-V372 HydrophobicContact CE2-CG2 4.22Å; F319-V372 HydrophobicContact CZ-CG2 4.23Å; C322-V372 HydrophobicContact CB-CG1 4.48Å; C322-V372 HydrophobicContact CB-CG2 4.25Å; C322-V372 WeakPolarHBondContact O-CA 3.31Å; I324-V372 HydrophobicContact CD1-CG1 3.33Å; I324-V372 HydrophobicContact CG1-CG1 3.84Å; L339-V372 HydrophobicContact CD1-CG1 4.47Å; W344-V372 HydrophobicContact CE3-CG2 4.28Å; P345-V372 PolarHBondContact O-N 2.84Å; V346-V372 VanDerWaalsContact CA-O 3.29Å; V346-V372 WeakPolarHBondContact CA-O 3.01Å; V346-V372 HydrophobicContact CG1-CB 4.39Å; V346-V372 HydrophobicContact CG1-CG1 4.27Å; V346-V372 WeakPolarHBondContact CG1-O 3.43Å; V346-V372 HydrophobicContact CG2-CB 4Å; V346-V372 HydrophobicContact CG2-CG1 4.34Å; S347-V372 PolarHBondContact N-O 3.46Å; S347-V372 VanDerWaalsContact N-O 3.09Å; C370-V372 VanDerWaalsContact SG-C 3.58Å; C370-V372 PolarHBondContact SG-O 3.3Å
373	L	93.9	Very high	80.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.5	173.7	-178.1	73.4	0	0	0	110.3	C322 L323 I324 S347 I349 A361 L365 I383	C322-L373 PolarHBondContact O-N 3.13Å; L323-L373 WeakPolarHBondContact CA-O 3.47Å; L323-L373 HydrophobicContact CD2-CB 3.7Å; L323-L373 HydrophobicContact CD2-CD2 4.03Å; L323-L373 HydrophobicContact CD2-CG 4.27Å; I324-L373 PolarHBondContact N-O 2.99Å; S347-L373 WeakPolarHBondContact O-CA 3.45Å; I349-L373 HydrophobicContact CD1-CD1 4.31Å; I349-L373 HydrophobicContact CD1-CD2 3.95Å; I349-L373 HydrophobicContact CG1-CD1 4.14Å; A361-L373 HydrophobicContact CB-CD1 4.45Å; L365-L373 HydrophobicContact CB-CD2 4.32Å; L365-L373 HydrophobicContact CD1-CB 4Å; L365-L373 HydrophobicContact CD2-CB 3.93Å; L365-L373 HydrophobicContact CD2-CD2 3.54Å; L365-L373 HydrophobicContact CD2-CG 4.36Å; L365-L373 HydrophobicContact CG-CB 4.41Å; L365-L373 HydrophobicContact CG-CD2 4.47Å; L373-I383 HydrophobicContact CD2-CD1 3.74Å; L373-I383 HydrophobicContact CD2-CG1 4.29Å; L373-I383 HydrophobicContact CD2-CG2 4.16Å
374	I	94	Very high	79.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.3	171.8	-59	159.8	0	0	0	108.9	I324 A332 L335 C336 L339 V346 S347 Y348 I349	I324-I374 HydrophobicContact CB-CG1 4.2Å; I324-I374 HydrophobicContact CD1-CG1 4.45Å; I324-I374 CarbonylContact O-C 3.59Å; I324-I374 VanDerWaalsContact O-CA 3.3Å; I324-I374 WeakPolarHBondContact O-CA 3.48Å; A332-I374 HydrophobicContact CB-CG2 3.93Å; L335-I374 HydrophobicContact CB-CD1 4.01Å; L335-I374 HydrophobicContact CD2-CD1 3.81Å; L335-I374 HydrophobicContact CD2-CG1 3.92Å; L335-I374 HydrophobicContact CD2-CG2 3.98Å; L335-I374 HydrophobicContact CG-CD1 3.59Å; L335-I374 HydrophobicContact CG-CG1 4.26Å; C336-I374 VanDerWaalsContact CA-CD1 3.4Å; C336-I374 HydrophobicContact CB-CD1 3.76Å; C336-I374 VanDerWaalsContact N-CD1 3.33Å; L339-I374 HydrophobicContact CD1-CD1 4.21Å; V346-I374 HydrophobicContact CG1-CD1 3.43Å; V346-I374 VanDerWaalsContact CG1-CD1 3.43Å; V346-I374 HydrophobicContact CG1-CG1 3.81Å; S347-I374 PolarHBondContact O-N 3.09Å; Y348-I374 CarbonylContact C-O 3.5Å; Y348-I374 WeakPolarHBondContact CA-O 3.45Å; I349-I374 PolarHBondContact N-O 3.1Å
375	T	90.5	Very high	78.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	144	-172.1	162.2	0	0	0	0	110.8	I324 F325 S326 T379 I383	I324-T375 PolarHBondContact O-N 2.87Å; F325-T375 WeakPolarHBondContact CA-O 3.49Å; F325-T375 HydrophobicContact CD1-CG2 3.59Å; F325-T375 HydrophobicContact CE1-CG2 3.26Å; F325-T375 HydrophobicContact CG-CG2 4.43Å; F325-T375 HydrophobicContact CZ-CG2 3.96Å; S326-T375 PolarHBondContact N-O 3.43Å; T375-T379 WeakPolarHBondContact OG1-CB 3.25Å; T375-T379 PolarHBondContact OG1-OG1 2.9Å; T375-I383 HydrophobicContact CG2-CD1 3.68Å; T375-I383 WeakPolarHBondContact OG1-CD1 3.5Å
376	T	85.6	Confident	78	Confident	8 Å²	8	34.2 Å²	34.2	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	166.3	171.4	63.6	0	0	0	0	111.7	S326 H329 A332 I349 L378 T379 S380	S326-T376 WeakPolarHBondContact O-CA 3.33Å; H329-T376 HydrophobicContact CB-CG2 4.17Å; A332-T376 HydrophobicContact CB-CG2 4.2Å; I349-T376 PolarHBondContact O-N 3.08Å; T376-L378 PolarHBondContact O-N 3.41Å; T376-L378 VanDerWaalsContact O-N 3.16Å; T376-T379 PolarHBondContact N-OG1 3.35Å; T376-T379 CarbonylContact O-C 3.54Å; T376-T379 WeakPolarHBondContact O-CA 3.46Å; T376-T379 PolarHBondContact O-N 3.37Å; T376-T379 PolarHBondContact O-OG1 3.24Å; T376-S380 PolarHBondContact O-N 3.01Å; T376-S380 VanDerWaalsContact O-N 3.07Å
377	D	70.8	Confident	78	Confident	28 Å²	28	35 Å²	35	15%	0.15	17%	0.172	C	C	.	.	H	α-helix	trans	-54.1	-36.4	-177.3	-74.5	-42.1	0	0	0	115	T379 S380 T402 R406	D377-T379 PolarHBondContact O-N 2.88Å; D377-S380 WeakPolarHBondContact O-CB 3.39Å; D377-S380 PolarHBondContact O-N 2.91Å; D377-S380 PolarHBondContact O-OG 3.31Å; D377-T402 HydrophobicContact CB-CG2 4.47Å; D377-T402 VanDerWaalsContact OD1-CG2 3.25Å; D377-T402 WeakPolarHBondContact OD1-CG2 3.32Å; D377-R406 IonicContact OD1-CZ 3.42Å; D377-R406 IonicContact OD1-NE 3.84Å; D377-R406 PolarHBondContact OD1-NE 3.09Å; D377-R406 IonicContact OD1-NH2 3.91Å; D377-R406 PolarHBondContact OD1-NH2 2.84Å; D377-R406 IonicContact OD2-CZ 3.99Å; D377-R406 IonicContact OD2-NH2 3.64Å; D377-R406 PolarHBondContact OD2-NH2 2.87Å
378	L	61.1	Low	78.3	Confident	122 Å²	122	31.8 Å²	31.8	64%	0.639	15%	0.151	S	C	*	.	H	α-helix	trans	-57.9	-21.3	175.1	-102.9	134.3	0	0	0	113.2	T376	T376-L378 PolarHBondContact O-N 3.41Å; T376-L378 VanDerWaalsContact O-N 3.16Å
379	T	58.2	Low	78.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-111.5	-3.6	176.9	46.4	0	0	0	0	113.3	I349 T375 T376 D377 R381 I383	I349-T379 HydrophobicContact CB-CG2 4.47Å; I349-T379 HydrophobicContact CG2-CG2 3.37Å; T375-T379 WeakPolarHBondContact OG1-CB 3.25Å; T375-T379 PolarHBondContact OG1-OG1 2.9Å; T376-T379 PolarHBondContact N-OG1 3.35Å; T376-T379 CarbonylContact O-C 3.54Å; T376-T379 WeakPolarHBondContact O-CA 3.46Å; T376-T379 PolarHBondContact O-N 3.37Å; T376-T379 PolarHBondContact O-OG1 3.24Å; D377-T379 PolarHBondContact O-N 2.88Å; T379-R381 PolarHBondContact O-N 2.89Å; T379-I383 WeakPolarHBondContact O-CD1 3.41Å; T379-I383 WeakPolarHBondContact O-CG1 3.32Å
380	S	53.2	Low	78.9	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-62.9	-32.8	175.3	71.2	0	0	0	0	112.9	T376 D377 R409	T376-S380 PolarHBondContact O-N 3.01Å; T376-S380 VanDerWaalsContact O-N 3.07Å; D377-S380 WeakPolarHBondContact O-CB 3.39Å; D377-S380 PolarHBondContact O-N 2.91Å; D377-S380 PolarHBondContact O-OG 3.31Å; S380-R409 WeakPolarHBondContact O-CD 3.48Å; S380-R409 PolarHBondContact O-NE 3.19Å
381	R	67.6	Low	79.1	Confident	21 Å²	21	20.5 Å²	20.5	8%	0.079	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	114.2	168.7	-53.5	-147.9	-164.5	-165.4	-4.1	108.9	T135 I138 D210 L211 T379 H405	T135-R381 PolarHBondContact OG1-O 3.4Å; I138-R381 HydrophobicContact CD1-CB 4.1Å; D210-R381 VanDerWaalsContact CG-NH1 3.28Å; D210-R381 IonicContact OD1-NH1 2.62Å; D210-R381 PolarHBondContact OD1-NH1 2.93Å; D210-R381 IonicContact OD2-CZ 3.78Å; D210-R381 IonicContact OD2-NH1 2.73Å; D210-R381 PolarHBondContact OD2-NH1 3.15Å; D210-R381 IonicContact OD2-NH2 2.96Å; L211-R381 HydrophobicContact CD2-CB 4.4Å; L211-R381 HydrophobicContact CD2-CG 4.24Å; T379-R381 PolarHBondContact O-N 2.89Å; R381-H405 HydrophobicContact CG-CB 4.22Å; R381-H405 PolarHBondContact NE-CD2 3.37Å; R381-H405 PolarHBondContact NH1-CE1 2.8Å; R381-H405 PolarHBondContact NH1-NE2 2.82Å; R381-H405 PolarHBondContact NH2-CD2 2.83Å; R381-H405 VanDerWaalsContact NH2-CD2 3.33Å; R381-H405 PolarHBondContact NH2-NE2 3Å
382	G	61.6	Low	79.3	Confident	2 Å²	2	16.7 Å²	16.7	2%	0.021	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	28.3	173	0	0	0	0	0	116.9	E137 Q141	E137-G382 WeakPolarHBondContact CB-O 3.38Å; Q141-G382 PolarHBondContact NE2-O 3.02Å; Q141-G382 PolarHBondContact OE1-O 3.13Å
383	I	69.5	Low	79.4	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.			trans	-85.2	107.2	152.2	-69.9	160.4	0	0	0	106.3	L323 F362 L365 L373 T375 T379 A385	L323-I383 HydrophobicContact CD1-CB 4.38Å; L323-I383 HydrophobicContact CD1-CG2 4.06Å; L323-I383 HydrophobicContact CD2-CG2 4.11Å; F362-I383 HydrophobicContact CD2-CG1 4.48Å; F362-I383 HydrophobicContact CD2-CG2 4.29Å; F362-I383 HydrophobicContact CE2-CB 4.4Å; F362-I383 HydrophobicContact CE2-CG2 4.02Å; L365-I383 HydrophobicContact CD2-CG2 3.63Å; L373-I383 HydrophobicContact CD2-CD1 3.74Å; L373-I383 HydrophobicContact CD2-CG1 4.29Å; L373-I383 HydrophobicContact CD2-CG2 4.16Å; T375-I383 HydrophobicContact CG2-CD1 3.68Å; T375-I383 WeakPolarHBondContact OG1-CD1 3.5Å; T379-I383 WeakPolarHBondContact O-CD1 3.41Å; T379-I383 WeakPolarHBondContact O-CG1 3.32Å; I383-A385 HydrophobicContact CG2-CB 4.08Å; I383-A385 PolarHBondContact O-N 3.4Å
384	D	68	Low	79.5	Confident	23 Å²	23	16.7 Å²	16.7	12%	0.123	9%	0.086	C	C	.	.			trans	-86.4	91.5	167.9	179.6	39.8	0	0	0	110.4	Q141 F362 R366 R412	Q141-D384 HydrophobicContact CG-CB 3.75Å; F362-D384 HydrophobicContact CZ-CB 4.13Å; F362-D384 WeakPolarHBondContact CZ-O 3.21Å; R366-D384 IonicContact CZ-OD2 3.4Å; R366-D384 PolarHBondContact NH1-O 3.03Å; R366-D384 IonicContact NH1-OD2 2.97Å; R366-D384 PolarHBondContact NH1-OD2 3.32Å; R366-D384 IonicContact NH2-OD2 3.61Å; D384-R412 IonicContact OD1-CZ 3.02Å; D384-R412 IonicContact OD1-NH1 3.71Å; D384-R412 PolarHBondContact OD1-NH1 3.02Å; D384-R412 IonicContact OD1-NH2 2.99Å; D384-R412 PolarHBondContact OD1-NH2 3.09Å
385	A	71.2	Confident	79.5	Confident	2 Å²	2	17 Å²	17	2%	0.017	9%	0.087	C	C	.	.			trans	-122.8	120.2	170	0	0	0	0	0	109.7	L365 I383 V388 R412	L365-A385 HydrophobicContact CD2-CB 3.35Å; L365-A385 HydrophobicContact CG-CB 3.84Å; I383-A385 HydrophobicContact CG2-CB 4.08Å; I383-A385 PolarHBondContact O-N 3.4Å; A385-V388 HydrophobicContact CB-CB 4.41Å; A385-V388 HydrophobicContact CB-CG2 3.46Å; A385-V388 VanDerWaalsContact CB-CG2 3.46Å; A385-R412 WeakPolarHBondContact O-CD 3.45Å; A385-R412 PolarHBondContact O-NH1 3.41Å; A385-R412 VanDerWaalsContact O-NH1 3.15Å
386	E	71	Confident	79.8	Confident	70 Å²	70	17 Å²	17	33%	0.327	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-42.6	-174.5	175.5	169.6	164.6	0	0	112.3	A29 V388	A29-E386 WeakPolarHBondContact CA-OE1 3.38Å; A29-E386 VanDerWaalsContact CB-CD 3.41Å; A29-E386 HydrophobicContact CB-CG 3.7Å; A29-E386 VanDerWaalsContact N-CD 3.27Å; A29-E386 PolarHBondContact N-OE1 3.22Å; A29-E386 PolarHBondContact N-OE2 3.06Å; E386-V388 PolarHBondContact O-N 3Å
387	N	84.8	Confident	80.1	Confident	53 Å²	53	16.7 Å²	16.7	28%	0.283	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	13.4	-175.2	-48.9	-55.1	0	0	0	113	Q320 Q321 F368 N389	Q320-N387 HydrophobicContact CB-CB 4.22Å; Q320-N387 VanDerWaalsContact CB-O 3.24Å; Q320-N387 WeakPolarHBondContact CB-O 3.42Å; Q321-N387 WeakPolarHBondContact CB-O 3.34Å; Q321-N387 HydrophobicContact CG-CB 4.16Å; Q321-N387 PolarHBondContact N-O 3.47Å; F368-N387 HydrophobicContact CE2-CB 4.28Å; N387-N389 PolarHBondContact O-N 3.08Å
388	V	90.2	Very high	80.9	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	105.2	175.5	173.1	0	0	0	0	108.6	Q321 L323 A385 E386 V391	Q321-V388 HydrophobicContact CB-CG2 3.96Å; Q321-V388 WeakPolarHBondContact O-CA 3.48Å; L323-V388 HydrophobicContact CB-CG1 4.35Å; L323-V388 HydrophobicContact CD1-CG1 4.15Å; L323-V388 HydrophobicContact CD1-CG2 4.36Å; L323-V388 HydrophobicContact CD2-CG2 4.27Å; L323-V388 HydrophobicContact CG-CB 4.46Å; L323-V388 HydrophobicContact CG-CG1 3.8Å; L323-V388 HydrophobicContact CG-CG2 3.87Å; A385-V388 HydrophobicContact CB-CB 4.41Å; A385-V388 HydrophobicContact CB-CG2 3.46Å; A385-V388 VanDerWaalsContact CB-CG2 3.46Å; E386-V388 PolarHBondContact O-N 3Å; V388-V391 HydrophobicContact CG1-CG2 4.06Å
389	N	93	Very high	82	Confident	17 Å²	17	21 Å²	21	9%	0.091	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-3.1	172.9	69.1	-27.8	0	0	0	113	F319 Q320 Q321 N387 G417 A418 A456	F319-N389 WeakPolarHBondContact CA-OD1 3.32Å; F319-N389 WeakPolarHBondContact CB-OD1 3.41Å; Q320-N389 PolarHBondContact N-OD1 3.29Å; Q321-N389 PolarHBondContact O-N 3.46Å; N387-N389 PolarHBondContact O-N 3.08Å; N389-G417 CarbonylContact O-C 3.53Å; N389-G417 WeakPolarHBondContact O-CA 3.38Å; N389-A418 PolarHBondContact O-N 2.93Å; N389-A456 HydrophobicContact CB-CB 4.32Å; N389-A456 WeakPolarHBondContact ND2-CB 3.26Å; N389-A456 PolarHBondContact ND2-O 3.15Å; N389-A456 WeakPolarHBondContact O-CB 3.41Å
390	L	95.4	Very high	83.2	Confident	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.3	174.6	-175.9	61.4	0	0	0	111.4	T317 F319 Q321 C322 L323 I392 A418 A456	T317-L390 HydrophobicContact CG2-CD2 4.2Å; F319-L390 HydrophobicContact CB-CB 3.83Å; F319-L390 HydrophobicContact CB-CD2 4.05Å; F319-L390 HydrophobicContact CD1-CD2 3.65Å; F319-L390 HydrophobicContact CE1-CD2 4.24Å; F319-L390 HydrophobicContact CG-CB 4.2Å; F319-L390 HydrophobicContact CG-CD2 3.82Å; Q321-L390 PolarHBondContact O-N 3.07Å; C322-L390 VanDerWaalsContact CA-O 3.27Å; C322-L390 WeakPolarHBondContact CA-O 3.42Å; C322-L390 HydrophobicContact CB-CB 4.3Å; C322-L390 HydrophobicContact CB-CD2 4.41Å; L323-L390 PolarHBondContact N-O 3.38Å; L390-I392 HydrophobicContact CD1-CG1 4.4Å; L390-I392 HydrophobicContact CD2-CD1 4.09Å; L390-I392 HydrophobicContact CD2-CG1 4.44Å; L390-I392 HydrophobicContact CG-CD1 4.32Å; L390-I392 HydrophobicContact CG-CG1 4.13Å; L390-A418 WeakPolarHBondContact CA-O 3.27Å; L390-A418 HydrophobicContact CD1-CB 4.12Å; L390-A456 HydrophobicContact CB-CB 4.43Å
391	V	94.8	Very high	84.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.6	174.2	172.5	0	0	0	0	110	L323 F325 V388 R406 R409 A410 A418 S419 V420	L323-V391 HydrophobicContact CB-CG2 4.47Å; L323-V391 CarbonylContact O-C 3.51Å; L323-V391 WeakPolarHBondContact O-CA 3.08Å; F325-V391 HydrophobicContact CD2-CG1 3.68Å; F325-V391 HydrophobicContact CE2-CG1 3.63Å; V388-V391 HydrophobicContact CG1-CG2 4.06Å; V391-R406 WeakPolarHBondContact CG1-O 3.37Å; V391-R409 HydrophobicContact CG2-CB 3.98Å; V391-A410 HydrophobicContact CG2-CB 3.84Å; V391-A418 PolarHBondContact N-O 3.4Å; V391-S419 CarbonylContact O-C 3.45Å; V391-S419 WeakPolarHBondContact O-CA 3.47Å; V391-S419 PolarHBondContact O-OG 2.97Å; V391-S419 VanDerWaalsContact O-OG 3.09Å; V391-V420 PolarHBondContact O-N 3.48Å
392	I	97	Very high	85.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.6	178.7	-55.6	169.1	0	0	0	108.9	L310 L313 L314 L323 I324 F325 L390 V420 I422	L310-I392 HydrophobicContact CD1-CB 4.39Å; L310-I392 HydrophobicContact CD1-CD1 3.55Å; L310-I392 HydrophobicContact CD1-CG2 3.88Å; L313-I392 HydrophobicContact CD2-CD1 3.67Å; L313-I392 HydrophobicContact CD2-CG1 3.96Å; L313-I392 HydrophobicContact CD2-CG2 4.4Å; L313-I392 HydrophobicContact CG-CD1 4.21Å; L314-I392 HydrophobicContact CD2-CD1 3.87Å; L314-I392 HydrophobicContact CG-CD1 4.44Å; L323-I392 PolarHBondContact O-N 2.9Å; I324-I392 CarbonylContact C-O 3.56Å; I324-I392 VanDerWaalsContact CA-O 3.28Å; I324-I392 WeakPolarHBondContact CA-O 3.47Å; I324-I392 HydrophobicContact CG1-CB 4.33Å; F325-I392 PolarHBondContact N-O 3.45Å; L390-I392 HydrophobicContact CD1-CG1 4.4Å; L390-I392 HydrophobicContact CD2-CD1 4.09Å; L390-I392 HydrophobicContact CD2-CG1 4.44Å; L390-I392 HydrophobicContact CG-CD1 4.32Å; L390-I392 HydrophobicContact CG-CG1 4.13Å; I392-V420 CarbonylContact C-O 3.58Å; I392-V420 VanDerWaalsContact CA-O 3.31Å; I392-V420 WeakPolarHBondContact CA-O 3.42Å; I392-I422 HydrophobicContact CG2-CD1 3.86Å; I392-I422 HydrophobicContact CG2-CG1 4.14Å
393	S	96.6	Very high	86.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.2	167.7	-67.1	0	0	0	0	108.7	E395 R406 V420 I422	S393-E395 VanDerWaalsContact C-N 3.3Å; S393-E395 WeakPolarHBondContact CB-O 3.32Å; S393-R406 WeakPolarHBondContact OG-CD 3.5Å; S393-R406 PolarHBondContact OG-NH1 3.19Å; S393-V420 PolarHBondContact N-O 3.34Å; S393-I422 PolarHBondContact O-N 2.97Å
394	L	96.2	Very high	87.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-65.7	-37.2	177.9	-169.9	73.2	0	0	0	111.1	F303 K306 L310 F325 L335 I422	F303-L394 HydrophobicContact CD2-CD2 4.3Å; F303-L394 HydrophobicContact CE2-CD2 3.86Å; K306-L394 HydrophobicContact CB-CD1 3.79Å; K306-L394 HydrophobicContact CB-CG 4.42Å; K306-L394 HydrophobicContact CD-CD1 4.47Å; K306-L394 HydrophobicContact CD-CG 4.23Å; K306-L394 WeakPolarHBondContact CD-O 3.42Å; K306-L394 WeakPolarHBondContact CE-O 3.5Å; K306-L394 PolarHBondContact NZ-O 3.17Å; L310-L394 HydrophobicContact CD2-CD1 4.29Å; F325-L394 VanDerWaalsContact O-CB 3.26Å; F325-L394 WeakPolarHBondContact O-CB 3.36Å; F325-L394 PolarHBondContact O-N 3.09Å; L335-L394 HydrophobicContact CD2-CD2 4.17Å; L394-I422 HydrophobicContact CD1-CD1 4.34Å
395	E	94.5	Very high	88.1	Confident	6 Å²	6	24.1 Å²	24.1	3%	0.028	11%	0.111	C	C	.	.	S	Bend	trans	-125.2	156.5	171.5	-52.2	92.9	174.8	0	0	111.1	S326 N327 F328 N331 S393 R406	S326-E395 VanDerWaalsContact CA-OE2 3.28Å; S326-E395 WeakPolarHBondContact CA-OE2 3.24Å; N327-E395 HydrophobicContact CB-CB 4.26Å; N327-E395 PolarHBondContact N-OE2 3.1Å; F328-E395 HydrophobicContact CD2-CG 4.39Å; F328-E395 HydrophobicContact CE2-CG 4.21Å; N331-E395 PolarHBondContact ND2-OE1 3.31Å; S393-E395 VanDerWaalsContact C-N 3.3Å; S393-E395 WeakPolarHBondContact CB-O 3.32Å; E395-R406 PolarHBondContact O-NH1 3.42Å; E395-R406 VanDerWaalsContact O-NH1 3.1Å
396	V	95.3	Very high	88.9	Confident	1 Å²	1	24 Å²	24	1%	0.006	11%	0.11	C	C	.	.			trans	-65.4	127.7	176.9	-173	0	0	0	0	109.2	N327 I421 V423 E429 L432 L433 L436	N327-V396 PolarHBondContact ND2-O 3.37Å; V396-I421 HydrophobicContact CB-CG2 4.42Å; V396-I421 HydrophobicContact CG2-CG2 3.85Å; V396-V423 HydrophobicContact CG2-CG1 4.27Å; V396-V423 HydrophobicContact CG2-CG2 4.08Å; V396-E429 HydrophobicContact CG2-CB 4.03Å; V396-L432 HydrophobicContact CB-CD2 3.99Å; V396-L432 HydrophobicContact CB-CG 4.26Å; V396-L432 HydrophobicContact CG1-CB 4.17Å; V396-L432 HydrophobicContact CG1-CD2 4.01Å; V396-L432 HydrophobicContact CG1-CG 3.78Å; V396-L433 HydrophobicContact CG1-CB 4.16Å; V396-L433 HydrophobicContact CG2-CB 4.25Å; V396-L436 HydrophobicContact CG1-CD1 3.91Å
397	P	92	Very high	89.8	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.006	10%	0.095	C	C	.	.			trans	-57.2	143.7	173.2	-22.6	32.5	0	0	0	111.7	E399 T402 Y403 L436	P397-E399 VanDerWaalsContact C-N 3.3Å; P397-E399 PolarHBondContact O-N 3.2Å; P397-T402 HydrophobicContact CB-CG2 4.1Å; P397-Y403 HydrophobicContact CG-CD2 4.23Å; P397-L436 HydrophobicContact CB-CD1 4.4Å; P397-L436 HydrophobicContact CG-CD1 4.3Å
398	W	88.6	Confident	89.7	Confident	145 Å²	145	18.2 Å²	18.2	55%	0.549	8%	0.081	S	C	.	.	S	Bend	trans	-69.2	-29.9	178.3	-59.1	-63.9	0	0	0	113.4	N327 F328	N327-W398 HydrophobicContact CB-CH2 3.68Å; N327-W398 HydrophobicContact CB-CZ2 3.68Å; N327-W398 HydrophobicContact CB-CZ3 4.31Å; N327-W398 WeakPolarHBondContact O-CH2 3.49Å; F328-W398 HydrophobicContact CE1-CZ2 4.41Å
399	E	83.4	Confident	89.5	Confident	96 Å²	96	18.6 Å²	18.6	45%	0.449	8%	0.083	S	C	.	.	S	Bend	trans	-128.4	150.2	-172	-67.2	172.9	176.4	0	0	111.1	P397 E401 T402 Y403	P397-E399 VanDerWaalsContact C-N 3.3Å; P397-E399 PolarHBondContact O-N 3.2Å; E399-E401 VanDerWaalsContact C-N 3.35Å; E399-T402 PolarHBondContact O-N 3.23Å; E399-Y403 PolarHBondContact O-N 2.69Å
400	H	84.5	Confident	89.1	Confident	22 Å²	22	17.8 Å²	17.8	10%	0.102	8%	0.078	C	C	.	.	H	α-helix	trans	-65.7	-39.7	-178.2	172.3	65.9	0	0	0	111.5	T402 Y403 V404 N439	H400-T402 VanDerWaalsContact C-N 3.34Å; H400-T402 PolarHBondContact O-N 3.25Å; H400-Y403 WeakPolarHBondContact O-CA 3.43Å; H400-Y403 VanDerWaalsContact O-CB 3.29Å; H400-Y403 WeakPolarHBondContact O-CB 3.28Å; H400-Y403 PolarHBondContact O-N 3.27Å; H400-Y403 VanDerWaalsContact O-N 3.12Å; H400-V404 VanDerWaalsContact CE1-CG2 3.41Å; H400-V404 WeakPolarHBondContact CE1-CG2 3.37Å; H400-V404 VanDerWaalsContact NE2-CG2 3.35Å; H400-V404 WeakPolarHBondContact NE2-CG2 3.5Å; H400-V404 WeakPolarHBondContact O-CG2 3.33Å; H400-V404 PolarHBondContact O-N 3.22Å; H400-N439 HydrophobicContact CB-CB 3.96Å; H400-N439 PolarHBondContact CE1-O 3.19Å
401	E	79.4	Confident	88.4	Confident	68 Å²	68	17.8 Å²	17.8	32%	0.318	8%	0.078	S	C	.	.	H	α-helix	trans	-59.2	-48.9	179	-63.6	73.4	-164.7	0	0	109.6	E399 Y403 V404 H405	E399-E401 VanDerWaalsContact C-N 3.35Å; E401-Y403 VanDerWaalsContact C-N 3.3Å; E401-Y403 PolarHBondContact O-N 2.88Å; E401-V404 PolarHBondContact O-N 3.4Å; E401-V404 VanDerWaalsContact O-N 3.15Å; E401-H405 PolarHBondContact O-CD2 3.26Å; E401-H405 PolarHBondContact O-N 3.07Å
402	T	84.4	Confident	87.6	Confident	22 Å²	22	19.1 Å²	19.1	14%	0.135	8%	0.083	C	C	.	.	H	α-helix	trans	-58.3	-42.7	176.1	-62.6	0	0	0	0	111.5	D377 P397 E399 H400 H405 R406	D377-T402 HydrophobicContact CB-CG2 4.47Å; D377-T402 VanDerWaalsContact OD1-CG2 3.25Å; D377-T402 WeakPolarHBondContact OD1-CG2 3.32Å; P397-T402 HydrophobicContact CB-CG2 4.1Å; E399-T402 PolarHBondContact O-N 3.23Å; H400-T402 VanDerWaalsContact C-N 3.34Å; H400-T402 PolarHBondContact O-N 3.25Å; T402-H405 PolarHBondContact O-N 3.04Å; T402-R406 HydrophobicContact CG2-CG 4.48Å; T402-R406 WeakPolarHBondContact O-CG 3.4Å; T402-R406 PolarHBondContact O-N 3.01Å
403	Y	88.7	Confident	86.6	Confident	1 Å²	1	19.1 Å²	19.1	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-58.4	-49.7	174.3	171.6	-104.9	0	0	0	112.5	L282 Q287 P397 E399 H400 E401 H405 R406 V407 I421 L436 I444	L282-Y403 HydrophobicContact CD1-CE1 4.25Å; Q287-Y403 WeakPolarHBondContact CG-OH 3.42Å; Q287-Y403 PolarHBondContact OE1-OH 3.15Å; P397-Y403 HydrophobicContact CG-CD2 4.23Å; E399-Y403 PolarHBondContact O-N 2.69Å; H400-Y403 WeakPolarHBondContact O-CA 3.43Å; H400-Y403 VanDerWaalsContact O-CB 3.29Å; H400-Y403 WeakPolarHBondContact O-CB 3.28Å; H400-Y403 PolarHBondContact O-N 3.27Å; H400-Y403 VanDerWaalsContact O-N 3.12Å; E401-Y403 VanDerWaalsContact C-N 3.3Å; E401-Y403 PolarHBondContact O-N 2.88Å; Y403-H405 VanDerWaalsContact C-N 3.27Å; Y403-H405 PolarHBondContact O-N 3.42Å; Y403-R406 PolarHBondContact O-N 2.77Å; Y403-R406 VanDerWaalsContact O-N 3.15Å; Y403-V407 HydrophobicContact CD1-CG2 4.43Å; Y403-V407 HydrophobicContact CD2-CG2 3.82Å; Y403-V407 HydrophobicContact CE1-CG2 4.02Å; Y403-V407 HydrophobicContact CE2-CG2 3.32Å; Y403-V407 HydrophobicContact CG-CG2 4.36Å; Y403-V407 VanDerWaalsContact CZ-CG2 3.45Å; Y403-V407 WeakPolarHBondContact O-CG2 3.36Å; Y403-V407 PolarHBondContact O-N 3.15Å; Y403-I421 HydrophobicContact CD2-CD1 3.86Å; Y403-I421 HydrophobicContact CE2-CD1 3.33Å; Y403-I421 HydrophobicContact CE2-CG1 4.06Å; Y403-L436 HydrophobicContact CD1-CD2 3.66Å; Y403-L436 HydrophobicContact CD1-CG 4.43Å; Y403-L436 HydrophobicContact CD2-CD1 3.99Å; Y403-L436 HydrophobicContact CD2-CD2 4.11Å; Y403-L436 HydrophobicContact CE1-CD2 3.94Å; Y403-L436 HydrophobicContact CE2-CD2 4.37Å; Y403-L436 HydrophobicContact CG-CD1 3.9Å; Y403-L436 HydrophobicContact CG-CD2 3.73Å; Y403-L436 HydrophobicContact CG-CG 4.13Å; Y403-I444 HydrophobicContact CE1-CD1 4.09Å; Y403-I444 HydrophobicContact CE2-CD1 4.22Å; Y403-I444 WeakPolarHBondContact OH-CD1 3.47Å; Y403-I444 WeakPolarHBondContact OH-CG1 3.42Å
404	V	85.5	Confident	85.6	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.012	8%	0.083	C	C	.	.	H	α-helix	trans	-57	-42.1	179.4	172.2	0	0	0	0	111.4	T253 A281 L282 H400 E401 G408	T253-V404 HydrophobicContact CG2-CG1 4.15Å; A281-V404 HydrophobicContact CB-CG1 3.18Å; L282-V404 HydrophobicContact CD1-CG2 4.32Å; L282-V404 HydrophobicContact CD2-CG1 4.36Å; H400-V404 VanDerWaalsContact CE1-CG2 3.41Å; H400-V404 WeakPolarHBondContact CE1-CG2 3.37Å; H400-V404 VanDerWaalsContact NE2-CG2 3.35Å; H400-V404 WeakPolarHBondContact NE2-CG2 3.5Å; H400-V404 WeakPolarHBondContact O-CG2 3.33Å; H400-V404 PolarHBondContact O-N 3.22Å; E401-V404 PolarHBondContact O-N 3.4Å; E401-V404 VanDerWaalsContact O-N 3.15Å; V404-G408 PolarHBondContact O-N 3.22Å
405	H	82.9	Confident	85.1	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-72	-33.6	178.2	-74.5	-77.2	0	0	0	114.1	E208 D210 R381 E401 T402 Y403 R409	E208-H405 IonicContact OE2-CE1 3.69Å; D210-H405 IonicContact OD2-CE1 2.65Å; D210-H405 IonicContact OD2-NE2 3.8Å; D210-H405 PolarHBondContact OD2-NE2 3.01Å; R381-H405 HydrophobicContact CG-CB 4.22Å; R381-H405 PolarHBondContact NE-CD2 3.37Å; R381-H405 PolarHBondContact NH1-CE1 2.8Å; R381-H405 PolarHBondContact NH1-NE2 2.82Å; R381-H405 PolarHBondContact NH2-CD2 2.83Å; R381-H405 VanDerWaalsContact NH2-CD2 3.33Å; R381-H405 PolarHBondContact NH2-NE2 3Å; E401-H405 PolarHBondContact O-CD2 3.26Å; E401-H405 PolarHBondContact O-N 3.07Å; T402-H405 PolarHBondContact O-N 3.04Å; Y403-H405 VanDerWaalsContact C-N 3.27Å; Y403-H405 PolarHBondContact O-N 3.42Å; H405-R409 WeakPolarHBondContact O-CG 3.44Å; H405-R409 PolarHBondContact O-NE 2.85Å
406	R	89.2	Confident	84.8	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-54.8	173.2	-73.6	-178.5	179.3	-167.1	0.1	110.2	F325 N327 D377 V391 S393 E395 T402 Y403 G408 R409	F325-R406 HydrophobicContact CB-CG 4.31Å; F325-R406 HydrophobicContact CD1-CG 4.03Å; F325-R406 HydrophobicContact CD2-CB 3.68Å; F325-R406 HydrophobicContact CD2-CG 3.52Å; F325-R406 HydrophobicContact CE1-CG 4.32Å; F325-R406 HydrophobicContact CE2-CB 3.72Å; F325-R406 HydrophobicContact CE2-CG 3.78Å; F325-R406 HydrophobicContact CG-CB 4.34Å; F325-R406 HydrophobicContact CG-CG 3.65Å; F325-R406 HydrophobicContact CZ-CB 4.45Å; F325-R406 HydrophobicContact CZ-CG 4.18Å; N327-R406 PolarHBondContact OD1-NH1 2.63Å; N327-R406 PolarHBondContact OD1-NH2 2.73Å; D377-R406 IonicContact OD1-CZ 3.42Å; D377-R406 IonicContact OD1-NE 3.84Å; D377-R406 PolarHBondContact OD1-NE 3.09Å; D377-R406 IonicContact OD1-NH2 3.91Å; D377-R406 PolarHBondContact OD1-NH2 2.84Å; D377-R406 IonicContact OD2-CZ 3.99Å; D377-R406 IonicContact OD2-NH2 3.64Å; D377-R406 PolarHBondContact OD2-NH2 2.87Å; V391-R406 WeakPolarHBondContact CG1-O 3.37Å; S393-R406 WeakPolarHBondContact OG-CD 3.5Å; S393-R406 PolarHBondContact OG-NH1 3.19Å; E395-R406 PolarHBondContact O-NH1 3.42Å; E395-R406 VanDerWaalsContact O-NH1 3.1Å; T402-R406 HydrophobicContact CG2-CG 4.48Å; T402-R406 WeakPolarHBondContact O-CG 3.4Å; T402-R406 PolarHBondContact O-N 3.01Å; Y403-R406 PolarHBondContact O-N 2.77Å; Y403-R406 VanDerWaalsContact O-N 3.15Å; R406-G408 VanDerWaalsContact C-N 3.31Å; R406-G408 PolarHBondContact O-N 2.93Å; R406-R409 WeakPolarHBondContact O-CB 3.49Å; R406-R409 WeakPolarHBondContact O-CG 3.48Å; R406-R409 PolarHBondContact O-N 3.46Å; R406-R409 VanDerWaalsContact O-N 3.13Å
407	V	88.5	Confident	84.7	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-41	-179.2	-179.4	0	0	0	0	111.1	L282 V285 Q287 Y403 R409 A410	L282-V407 HydrophobicContact CD2-CB 3.57Å; L282-V407 HydrophobicContact CD2-CG1 3.55Å; L282-V407 HydrophobicContact CD2-CG2 4.38Å; V285-V407 HydrophobicContact CB-CG1 3.86Å; V285-V407 HydrophobicContact CG1-CG1 3.5Å; V285-V407 HydrophobicContact CG2-CG1 4.41Å; Q287-V407 HydrophobicContact CG-CG1 4.08Å; Y403-V407 HydrophobicContact CD1-CG2 4.43Å; Y403-V407 HydrophobicContact CD2-CG2 3.82Å; Y403-V407 HydrophobicContact CE1-CG2 4.02Å; Y403-V407 HydrophobicContact CE2-CG2 3.32Å; Y403-V407 HydrophobicContact CG-CG2 4.36Å; Y403-V407 VanDerWaalsContact CZ-CG2 3.45Å; Y403-V407 WeakPolarHBondContact O-CG2 3.36Å; Y403-V407 PolarHBondContact O-N 3.15Å; V407-R409 PolarHBondContact O-N 2.96Å; V407-A410 PolarHBondContact O-N 3.35Å
408	G	84.3	Confident	84.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	1.3	177.5	0	0	0	0	0	115.4	S104 V404 R406 A410	S104-G408 WeakPolarHBondContact CB-O 3.16Å; V404-G408 PolarHBondContact O-N 3.22Å; R406-G408 VanDerWaalsContact C-N 3.31Å; R406-G408 PolarHBondContact O-N 2.93Å; G408-A410 VanDerWaalsContact C-N 3.33Å; G408-A410 CarbonylContact C-O 3.5Å
409	R	84.7	Confident	85.1	Confident	9 Å²	9	16.2 Å²	16.2	3%	0.034	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.6	165.5	-60.8	-59.1	121.8	-178.1	5.8	112.5	E208 L323 F325 S380 V391 H405 R406 V407	E208-R409 IonicContact OE1-NH2 2.84Å; L323-R409 HydrophobicContact CD1-CB 3.68Å; L323-R409 HydrophobicContact CD1-CG 3.84Å; F325-R409 HydrophobicContact CE2-CG 4.26Å; F325-R409 HydrophobicContact CZ-CG 3.95Å; S380-R409 WeakPolarHBondContact O-CD 3.48Å; S380-R409 PolarHBondContact O-NE 3.19Å; V391-R409 HydrophobicContact CG2-CB 3.98Å; H405-R409 WeakPolarHBondContact O-CG 3.44Å; H405-R409 PolarHBondContact O-NE 2.85Å; R406-R409 WeakPolarHBondContact O-CB 3.49Å; R406-R409 WeakPolarHBondContact O-CG 3.48Å; R406-R409 PolarHBondContact O-N 3.46Å; R406-R409 VanDerWaalsContact O-N 3.13Å; V407-R409 PolarHBondContact O-N 2.96Å
410	A	85.8	Confident	85.8	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-89.3	164.2	167.9	0	0	0	0	0	111	V285 V391 V407 G408	V285-A410 HydrophobicContact CG1-CB 4.09Å; V285-A410 HydrophobicContact CG2-CB 4.02Å; V285-A410 WeakPolarHBondContact CG2-O 3.27Å; V391-A410 HydrophobicContact CG2-CB 3.84Å; V407-A410 PolarHBondContact O-N 3.35Å; G408-A410 VanDerWaalsContact C-N 3.33Å; G408-A410 CarbonylContact C-O 3.5Å
411	G	80.2	Confident	86.4	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	68.1	38.4	173.6	0	0	0	0	0	114.4	K103 S415	K103-G411 PolarHBondContact NZ-O 3.04Å; G411-S415 CarbonylContact C-O 3.54Å; G411-S415 VanDerWaalsContact C-OG 3.32Å; G411-S415 WeakPolarHBondContact CA-O 3.18Å; G411-S415 WeakPolarHBondContact CA-OG 3.45Å
412	R	78.8	Confident	87.3	Confident	28 Å²	28	7.4 Å²	7.4	11%	0.106	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-75.7	145.3	-176.6	-57	-170.7	86.2	172.9	-2.8	111.7	D384 A385 G414 S415	D384-R412 IonicContact OD1-CZ 3.02Å; D384-R412 IonicContact OD1-NH1 3.71Å; D384-R412 PolarHBondContact OD1-NH1 3.02Å; D384-R412 IonicContact OD1-NH2 2.99Å; D384-R412 PolarHBondContact OD1-NH2 3.09Å; A385-R412 WeakPolarHBondContact O-CD 3.45Å; A385-R412 PolarHBondContact O-NH1 3.41Å; A385-R412 VanDerWaalsContact O-NH1 3.15Å; R412-G414 PolarHBondContact O-N 2.93Å; R412-S415 PolarHBondContact N-OG 3.42Å; R412-S415 VanDerWaalsContact O-CB 3.3Å; R412-S415 WeakPolarHBondContact O-CB 3.5Å; R412-S415 PolarHBondContact O-N 3.48Å; R412-S415 PolarHBondContact O-OG 3.24Å
413	F	74.7	Confident	87.9	Confident	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	46.1	38.7	-177.3	-148.2	-112.9	0	0	0	113.2	A29 H30 L32 R38 V42 G105 S415	A29-F413 HydrophobicContact CB-CB 4.43Å; A29-F413 WeakPolarHBondContact O-CB 3.17Å; A29-F413 WeakPolarHBondContact O-CD1 3.43Å; A29-F413 WeakPolarHBondContact O-CG 3.47Å; H30-F413 HydrophobicContact CB-CE1 4.23Å; H30-F413 HydrophobicContact CB-CZ 4.32Å; H30-F413 AromaticContact CE1-CD2 3.33Å; H30-F413 WeakPolarHBondContact CE1-CD2 3.41Å; H30-F413 AromaticContact CE1-CE2 3.36Å; H30-F413 WeakPolarHBondContact CE1-CE2 3.49Å; H30-F413 AromaticContact ND1-CD1 3.82Å; H30-F413 AromaticContact ND1-CD2 3.18Å; H30-F413 WeakPolarHBondContact ND1-CD2 2.94Å; H30-F413 AromaticContact ND1-CE1 3.56Å; H30-F413 AromaticContact ND1-CE2 2.92Å; H30-F413 WeakPolarHBondContact ND1-CE2 3.32Å; H30-F413 AromaticContact ND1-CG 3.63Å; H30-F413 AromaticContact ND1-CZ 3.14Å; H30-F413 WeakPolarHBondContact ND1-CZ 3.49Å; L32-F413 HydrophobicContact CD1-CE1 4.1Å; L32-F413 HydrophobicContact CD1-CZ 4.23Å; L32-F413 HydrophobicContact CD2-CD1 3.94Å; L32-F413 HydrophobicContact CD2-CE1 3.36Å; L32-F413 HydrophobicContact CD2-CZ 4.23Å; L32-F413 HydrophobicContact CG-CE1 3.59Å; L32-F413 HydrophobicContact CG-CZ 4.21Å; R38-F413 PolarHBondContact NH1-O 3.4Å; V42-F413 HydrophobicContact CG1-CD1 4.11Å; V42-F413 HydrophobicContact CG1-CD2 4.41Å; V42-F413 HydrophobicContact CG1-CE1 4.06Å; V42-F413 HydrophobicContact CG1-CE2 4.31Å; V42-F413 HydrophobicContact CG1-CG 4.31Å; V42-F413 HydrophobicContact CG1-CZ 4.14Å; G105-F413 WeakPolarHBondContact O-CA 3.41Å; G105-F413 PolarHBondContact O-N 3.45Å; F413-S415 VanDerWaalsContact C-N 3.3Å; F413-S415 PolarHBondContact O-N 3.02Å
414	G	77.1	Confident	88.2	Confident	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	74.1	12	180	0	0	0	0	0	115.8	R38 T39 R412	R38-G414 CarbonylContact C-O 3.6Å; R38-G414 WeakPolarHBondContact CA-O 3.29Å; T39-G414 WeakPolarHBondContact CG2-O 3.36Å; T39-G414 PolarHBondContact N-O 2.83Å; T39-G414 WeakPolarHBondContact OG1-CA 3.37Å; R412-G414 PolarHBondContact O-N 2.93Å
415	S	84.3	Confident	88.5	Confident	30 Å²	30	7.9 Å²	7.9	21%	0.21	4%	0.038	C	C	.	.			trans	-62.1	164.7	165.9	72.4	0	0	0	0	111	G411 R412 F413	G411-S415 CarbonylContact C-O 3.54Å; G411-S415 VanDerWaalsContact C-OG 3.32Å; G411-S415 WeakPolarHBondContact CA-O 3.18Å; G411-S415 WeakPolarHBondContact CA-OG 3.45Å; R412-S415 PolarHBondContact N-OG 3.42Å; R412-S415 VanDerWaalsContact O-CB 3.3Å; R412-S415 WeakPolarHBondContact O-CB 3.5Å; R412-S415 PolarHBondContact O-N 3.48Å; R412-S415 PolarHBondContact O-OG 3.24Å; F413-S415 VanDerWaalsContact C-N 3.3Å; F413-S415 PolarHBondContact O-N 3.02Å
416	Y	88.5	Confident	88.7	Confident	62 Å²	62	8.5 Å²	8.5	24%	0.243	4%	0.042	C	C	.	.			trans	-102.1	147.8	176.5	-68	-95.3	0	0	0	110.1	K37 R38 T39 G284 P458	K37-Y416 HydrophobicContact CB-CD2 4.49Å; K37-Y416 HydrophobicContact CB-CE2 4Å; K37-Y416 WeakPolarHBondContact O-CE2 3.41Å; R38-Y416 PolarHBondContact O-OH 2.95Å; T39-Y416 HydrophobicContact CG2-CE1 4.08Å; T39-Y416 HydrophobicContact CG2-CE2 4.34Å; G284-Y416 WeakPolarHBondContact O-CA 3.3Å; Y416-P458 HydrophobicContact CD2-CB 3.7Å; Y416-P458 HydrophobicContact CD2-CG 4.04Å; Y416-P458 HydrophobicContact CE2-CB 4.42Å; Y416-P458 HydrophobicContact CG-CB 4.04Å; Y416-P458 HydrophobicContact CG-CG 4.4Å
417	G	92.5	Very high	88.6	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	-176.5	175.8	0	0	0	0	0	112.4	G284 V285 R286 N389	G284-G417 PolarHBondContact O-N 3.31Å; G284-G417 VanDerWaalsContact O-N 3.12Å; V285-G417 WeakPolarHBondContact CA-O 3.34Å; R286-G417 PolarHBondContact N-O 3.47Å; N389-G417 CarbonylContact O-C 3.53Å; N389-G417 WeakPolarHBondContact O-CA 3.38Å
418	A	94.7	Very high	88.7	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.7	175.3	0	0	0	0	0	111	R286 N389 L390 V391 L455 A456	R286-A418 CarbonylContact O-C 3.52Å; R286-A418 WeakPolarHBondContact O-CA 3.38Å; N389-A418 PolarHBondContact O-N 2.93Å; L390-A418 WeakPolarHBondContact CA-O 3.27Å; L390-A418 HydrophobicContact CD1-CB 4.12Å; V391-A418 PolarHBondContact N-O 3.4Å; A418-L455 HydrophobicContact CB-CD2 3.94Å; A418-L455 HydrophobicContact CB-CG 3.75Å; A418-A456 HydrophobicContact CB-CB 4.34Å
419	S	95	Very high	89.1	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.6	167.6	-173	0	0	0	0	111.2	R286 F288 V391	R286-S419 PolarHBondContact O-N 2.68Å; F288-S419 PolarHBondContact N-O 3.02Å; V391-S419 CarbonylContact O-C 3.45Å; V391-S419 WeakPolarHBondContact O-CA 3.47Å; V391-S419 PolarHBondContact O-OG 2.97Å; V391-S419 VanDerWaalsContact O-OG 3.09Å
420	V	97.6	Very high	89.6	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.7	178.1	-173.9	0	0	0	0	109.9	F288 L313 V391 I392 S393 L447 L455	F288-V420 HydrophobicContact CB-CG2 4.3Å; F288-V420 CarbonylContact O-C 3.4Å; F288-V420 WeakPolarHBondContact O-CA 3.48Å; L313-V420 HydrophobicContact CD1-CG2 4.36Å; L313-V420 HydrophobicContact CD2-CB 3.84Å; L313-V420 HydrophobicContact CD2-CG1 3.87Å; L313-V420 HydrophobicContact CD2-CG2 3.92Å; V391-V420 PolarHBondContact O-N 3.48Å; I392-V420 CarbonylContact C-O 3.58Å; I392-V420 VanDerWaalsContact CA-O 3.31Å; I392-V420 WeakPolarHBondContact CA-O 3.42Å; S393-V420 PolarHBondContact N-O 3.34Å; V420-L447 HydrophobicContact CG1-CD2 3.98Å; V420-L447 HydrophobicContact CG1-CG 4.27Å; V420-L447 HydrophobicContact CG2-CD2 4.38Å; V420-L447 HydrophobicContact CG2-CG 4.41Å; V420-L455 HydrophobicContact CG2-CD2 4.21Å
421	I	97.5	Very high	89.9	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.9	170.6	-54.7	164.5	0	0	0	108.9	F288 F289 H290 V396 Y403 V423 L433 I444	F288-I421 PolarHBondContact O-N 3.33Å; F289-I421 CarbonylContact C-O 3.52Å; F289-I421 VanDerWaalsContact CA-O 3.27Å; F289-I421 WeakPolarHBondContact CA-O 3.41Å; F289-I421 HydrophobicContact CB-CB 4.47Å; H290-I421 PolarHBondContact N-O 3.2Å; V396-I421 HydrophobicContact CB-CG2 4.42Å; V396-I421 HydrophobicContact CG2-CG2 3.85Å; Y403-I421 HydrophobicContact CD2-CD1 3.86Å; Y403-I421 HydrophobicContact CE2-CD1 3.33Å; Y403-I421 HydrophobicContact CE2-CG1 4.06Å; I421-V423 HydrophobicContact CG2-CG2 4.02Å; I421-L433 HydrophobicContact CD1-CD1 3.97Å; I421-I444 HydrophobicContact CD1-CD1 4.23Å
422	I	97.9	Very high	90.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124	173.5	-53.9	174.8	0	0	0	108	I292 K306 F309 L310 I392 S393 L394	I292-I422 HydrophobicContact CD1-CG2 4.48Å; I292-I422 HydrophobicContact CG1-CG2 4.29Å; I292-I422 HydrophobicContact CG2-CG2 3.85Å; K306-I422 HydrophobicContact CB-CG2 4.37Å; K306-I422 HydrophobicContact CG-CG2 3.97Å; F309-I422 HydrophobicContact CD1-CD1 3.8Å; F309-I422 HydrophobicContact CD1-CG1 3.8Å; F309-I422 HydrophobicContact CD1-CG2 4.16Å; F309-I422 HydrophobicContact CE1-CD1 4.36Å; F309-I422 HydrophobicContact CE1-CG1 4.03Å; L310-I422 HydrophobicContact CB-CD1 4.09Å; L310-I422 HydrophobicContact CD1-CD1 4.38Å; I392-I422 HydrophobicContact CG2-CD1 3.86Å; I392-I422 HydrophobicContact CG2-CG1 4.14Å; S393-I422 PolarHBondContact O-N 2.97Å; L394-I422 HydrophobicContact CD1-CD1 4.34Å
423	V	97.1	Very high	91.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.2	-171.8	-170.5	0	0	0	0	108.9	F289 H290 I291 I292 V396 I421 E429 L433	F289-V423 HydrophobicContact CB-CG2 4.23Å; H290-V423 PolarHBondContact O-N 3.05Å; I291-V423 CarbonylContact C-O 3.6Å; I291-V423 VanDerWaalsContact CA-O 3.29Å; I291-V423 WeakPolarHBondContact CA-O 3.41Å; I291-V423 HydrophobicContact CG1-CB 4.39Å; I292-V423 VanDerWaalsContact CG1-O 3.24Å; I292-V423 WeakPolarHBondContact CG1-O 3.34Å; I292-V423 PolarHBondContact N-O 2.92Å; V396-V423 HydrophobicContact CG2-CG1 4.27Å; V396-V423 HydrophobicContact CG2-CG2 4.08Å; I421-V423 HydrophobicContact CG2-CG2 4.02Å; V423-E429 HydrophobicContact CG1-CB 3.95Å; V423-L433 HydrophobicContact CG1-CD2 4.41Å; V423-L433 HydrophobicContact CG2-CD2 3.49Å; V423-L433 VanDerWaalsContact CG2-CD2 3.49Å
424	S	94.6	Very high	92.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.4	169.1	175	0	0	0	0	110.9	V426 E429 C430	S424-V426 WeakPolarHBondContact CB-O 3.46Å; S424-V426 PolarHBondContact O-N 3.5Å; S424-V426 WeakPolarHBondContact OG-CG2 3.38Å; S424-V426 PolarHBondContact OG-N 3.4Å; S424-V426 PolarHBondContact OG-O 3.25Å; S424-E429 VanDerWaalsContact CB-OE2 3.28Å; S424-E429 WeakPolarHBondContact CB-OE2 3.39Å; S424-E429 PolarHBondContact N-OE2 3.43Å; S424-C430 PolarHBondContact O-SG 3.29Å
425	D	91.8	Very high	92.8	Very high	35 Å²	35	35.4 Å²	35.4	19%	0.187	19%	0.192	C	C	.	.	S	Bend	trans	-70.2	-6.1	170	74	-27.1	0	0	0	113.3	I291 I292 P294	I291-D425 HydrophobicContact CG2-CB 3.68Å; I292-D425 PolarHBondContact O-N 3.46Å; I292-D425 VanDerWaalsContact O-N 3.14Å; P294-D425 WeakPolarHBondContact CD-OD1 3.39Å
426	V	87.9	Confident	93.1	Very high	13 Å²	13	34.3 Å²	34.3	8%	0.079	18%	0.184	C	C	.	.	S	Bend	trans	-112.2	151.1	175.3	-56.9	0	0	0	0	111.8	P294 L297 I302 S424 I482	P294-V426 HydrophobicContact CG-CG2 4.08Å; L297-V426 HydrophobicContact CD2-CB 3.63Å; L297-V426 HydrophobicContact CD2-CG1 3.65Å; L297-V426 HydrophobicContact CD2-CG2 4.04Å; I302-V426 HydrophobicContact CD1-CG2 3.71Å; I302-V426 HydrophobicContact CG1-CG2 4.04Å; S424-V426 WeakPolarHBondContact CB-O 3.46Å; S424-V426 PolarHBondContact O-N 3.5Å; S424-V426 WeakPolarHBondContact OG-CG2 3.38Å; S424-V426 PolarHBondContact OG-N 3.4Å; S424-V426 PolarHBondContact OG-O 3.25Å; V426-I482 HydrophobicContact CG1-CD1 3.17Å; V426-I482 HydrophobicContact CG1-CG1 4.47Å
427	G	86.7	Confident	93.1	Very high	62 Å²	62	32 Å²	32	64%	0.639	18%	0.175	S	C	*	.	S	Bend	trans	76.2	-157.1	-175.1	0	0	0	0	0	111.5
428	D	90.4	Very high	92.9	Very high	132 Å²	132	36 Å²	36	71%	0.706	21%	0.207	S	C	*	.	S	Bend	trans	-95.8	4.3	-168.8	-53.6	-20.5	0	0	0	112.9	C430 D431 L432	D428-C430 PolarHBondContact O-N 3.13Å; D428-D431 PolarHBondContact O-N 3.33Å; D428-L432 WeakPolarHBondContact O-CB 3.2Å; D428-L432 PolarHBondContact O-N 3.47Å
429	E	94.2	Very high	92.3	Very high	34 Å²	34	41.1 Å²	41.1	16%	0.159	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-37.1	-174.2	-67.8	-167.4	173.1	0	0	112.8	K306 V396 V423 S424 L432 L433	K306-E429 IonicContact NZ-OE1 2.68Å; K306-E429 PolarHBondContact NZ-OE1 3.46Å; K306-E429 IonicContact NZ-OE2 2.88Å; K306-E429 PolarHBondContact NZ-OE2 3.22Å; V396-E429 HydrophobicContact CG2-CB 4.03Å; V423-E429 HydrophobicContact CG1-CB 3.95Å; S424-E429 VanDerWaalsContact CB-OE2 3.28Å; S424-E429 WeakPolarHBondContact CB-OE2 3.39Å; S424-E429 PolarHBondContact N-OE2 3.43Å; E429-L432 PolarHBondContact O-N 3.45Å; E429-L433 WeakPolarHBondContact O-CB 3.08Å; E429-L433 PolarHBondContact O-N 2.88Å
430	C	93.3	Very high	91.5	Very high	15 Å²	15	41.5 Å²	41.5	10%	0.101	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-44.3	173.9	-76.6	0	0	0	0	112.1	S424 D428 L433 K434 M474	S424-C430 PolarHBondContact O-SG 3.29Å; D428-C430 PolarHBondContact O-N 3.13Å; C430-L433 PolarHBondContact O-N 3.09Å; C430-K434 PolarHBondContact O-N 3.19Å; C430-M474 HydrophobicContact CB-CE 4.32Å; C430-M474 HydrophobicContact CB-SD 3.69Å
431	D	92.1	Very high	90.5	Very high	97 Å²	97	45 Å²	45	52%	0.519	26%	0.26	S	S	.	.	H	α-helix	trans	-68.5	-38.3	178	-72	-29.7	0	0	0	111.4	D428 K434 K435	D428-D431 PolarHBondContact O-N 3.33Å; D431-K434 WeakPolarHBondContact O-CB 3.34Å; D431-K434 PolarHBondContact O-N 3.29Å; D431-K435 WeakPolarHBondContact O-CG 3.4Å; D431-K435 PolarHBondContact O-N 3.3Å
432	L	93.2	Very high	89.7	Confident	37 Å²	37	47.2 Å²	47.2	19%	0.194	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-43.3	175.5	-171.9	59.1	0	0	0	111.2	V396 D428 E429 K434 K435 L436	V396-L432 HydrophobicContact CB-CD2 3.99Å; V396-L432 HydrophobicContact CB-CG 4.26Å; V396-L432 HydrophobicContact CG1-CB 4.17Å; V396-L432 HydrophobicContact CG1-CD2 4.01Å; V396-L432 HydrophobicContact CG1-CG 3.78Å; D428-L432 WeakPolarHBondContact O-CB 3.2Å; D428-L432 PolarHBondContact O-N 3.47Å; E429-L432 PolarHBondContact O-N 3.45Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 3.28Å; L432-K435 PolarHBondContact O-N 2.74Å; L432-L436 WeakPolarHBondContact O-CB 3.36Å; L432-L436 PolarHBondContact O-N 2.78Å
433	L	95	Very high	89.2	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-37.8	175.5	-179.9	58.2	0	0	0	111.7	F289 V396 I421 V423 E429 C430 L436 Q437 I444 V470 M474	F289-L433 HydrophobicContact CB-CD2 3.75Å; F289-L433 HydrophobicContact CD1-CD2 4.5Å; F289-L433 HydrophobicContact CD2-CD2 3.99Å; F289-L433 HydrophobicContact CG-CD2 3.83Å; V396-L433 HydrophobicContact CG1-CB 4.16Å; V396-L433 HydrophobicContact CG2-CB 4.25Å; I421-L433 HydrophobicContact CD1-CD1 3.97Å; V423-L433 HydrophobicContact CG1-CD2 4.41Å; V423-L433 HydrophobicContact CG2-CD2 3.49Å; V423-L433 VanDerWaalsContact CG2-CD2 3.49Å; E429-L433 WeakPolarHBondContact O-CB 3.08Å; E429-L433 PolarHBondContact O-N 2.88Å; C430-L433 PolarHBondContact O-N 3.09Å; L433-L436 PolarHBondContact O-N 3.12Å; L433-Q437 WeakPolarHBondContact O-CB 3.39Å; L433-Q437 PolarHBondContact O-N 3.1Å; L433-I444 HydrophobicContact CD1-CD1 4.14Å; L433-V470 HydrophobicContact CD1-CG2 4.19Å; L433-V470 HydrophobicContact CD2-CG1 4.37Å; L433-V470 HydrophobicContact CD2-CG2 3.92Å; L433-V470 HydrophobicContact CG-CG1 3.89Å; L433-V470 HydrophobicContact CG-CG2 3.93Å; L433-M474 HydrophobicContact CB-CE 4.42Å; L433-M474 HydrophobicContact CD2-CE 3.69Å; L433-M474 HydrophobicContact CG-CE 4.3Å
434	K	92.4	Very high	89	Confident	82 Å²	82	52 Å²	52	36%	0.357	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.9	-170.7	176.3	-172.8	168.5	0	111.8	C430 D431 L432 Q437 A438 M474 N475	C430-K434 PolarHBondContact O-N 3.19Å; D431-K434 WeakPolarHBondContact O-CB 3.34Å; D431-K434 PolarHBondContact O-N 3.29Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 3.28Å; K434-Q437 PolarHBondContact O-N 3.34Å; K434-A438 PolarHBondContact O-N 3.44Å; K434-M474 HydrophobicContact CB-CG 4.36Å; K434-M474 HydrophobicContact CD-CB 4.18Å; K434-M474 HydrophobicContact CG-CB 4.48Å; K434-N475 PolarHBondContact NZ-OD1 3.11Å
435	K	91.5	Very high	89	Confident	143 Å²	143	53.5 Å²	53.5	62%	0.622	30%	0.302	S	S	*	.	H	α-helix	trans	-63.7	-44.6	174.9	-70.9	172.6	-176.3	175	0	111.7	D431 L432 Q437 A438 N439	D431-K435 WeakPolarHBondContact O-CG 3.4Å; D431-K435 PolarHBondContact O-N 3.3Å; L432-K435 PolarHBondContact O-N 2.74Å; K435-Q437 PolarHBondContact O-N 2.71Å; K435-A438 WeakPolarHBondContact O-CB 3.43Å; K435-A438 PolarHBondContact O-N 3.34Å; K435-N439 PolarHBondContact O-N 2.92Å
436	L	90.6	Very high	89.2	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-45.4	177.7	-173.8	169.2	0	0	0	111.3	V396 P397 Y403 L432 L433 A438 N439 C440 I444	V396-L436 HydrophobicContact CG1-CD1 3.91Å; P397-L436 HydrophobicContact CB-CD1 4.4Å; P397-L436 HydrophobicContact CG-CD1 4.3Å; Y403-L436 HydrophobicContact CD1-CD2 3.66Å; Y403-L436 HydrophobicContact CD1-CG 4.43Å; Y403-L436 HydrophobicContact CD2-CD1 3.99Å; Y403-L436 HydrophobicContact CD2-CD2 4.11Å; Y403-L436 HydrophobicContact CE1-CD2 3.94Å; Y403-L436 HydrophobicContact CE2-CD2 4.37Å; Y403-L436 HydrophobicContact CG-CD1 3.9Å; Y403-L436 HydrophobicContact CG-CD2 3.73Å; Y403-L436 HydrophobicContact CG-CG 4.13Å; L432-L436 WeakPolarHBondContact O-CB 3.36Å; L432-L436 PolarHBondContact O-N 2.78Å; L433-L436 PolarHBondContact O-N 3.12Å; L436-A438 VanDerWaalsContact C-N 3.3Å; L436-A438 PolarHBondContact O-N 3.13Å; L436-N439 PolarHBondContact O-N 3.47Å; L436-C440 WeakPolarHBondContact O-CB 3.45Å; L436-C440 PolarHBondContact O-N 3.38Å; L436-C440 VanDerWaalsContact O-N 3.12Å; L436-I444 HydrophobicContact CD2-CD1 3.48Å; L436-I444 VanDerWaalsContact CD2-CD1 3.48Å
437	Q	89.6	Confident	89.6	Confident	14 Å²	14	53.2 Å²	53.2	7%	0.065	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-36.6	176.1	175.6	63.5	71.2	0	0	112.7	L433 K434 K435 N439 C440 T442 V470	L433-Q437 WeakPolarHBondContact O-CB 3.39Å; L433-Q437 PolarHBondContact O-N 3.1Å; K434-Q437 PolarHBondContact O-N 3.34Å; K435-Q437 PolarHBondContact O-N 2.71Å; Q437-N439 PolarHBondContact O-N 3Å; Q437-C440 PolarHBondContact O-N 3.19Å; Q437-T442 PolarHBondContact NE2-O 3.5Å; Q437-T442 VanDerWaalsContact NE2-O 3.08Å; Q437-V470 HydrophobicContact CB-CB 4.02Å; Q437-V470 HydrophobicContact CB-CG1 3.85Å; Q437-V470 HydrophobicContact CG-CB 3.97Å; Q437-V470 HydrophobicContact CG-CG1 4.25Å
438	A	87.5	Confident	89.9	Confident	82 Å²	82	51.6 Å²	51.6	68%	0.678	28%	0.277	S	S	*	.	H	α-helix	trans	-64.1	-30.9	-179.8	0	0	0	0	0	112.5	K434 K435 L436	K434-A438 PolarHBondContact O-N 3.44Å; K435-A438 WeakPolarHBondContact O-CB 3.43Å; K435-A438 PolarHBondContact O-N 3.34Å; L436-A438 VanDerWaalsContact C-N 3.3Å; L436-A438 PolarHBondContact O-N 3.13Å
439	N	82	Confident	89.9	Confident	108 Å²	108	51.1 Å²	51.1	58%	0.578	27%	0.274	S	S	*	.	H	α-helix	trans	-90.8	-11.4	177.4	-64.3	-11.8	0	0	0	112.8	H400 K435 L436 Q437	H400-N439 HydrophobicContact CB-CB 3.96Å; H400-N439 PolarHBondContact CE1-O 3.19Å; K435-N439 PolarHBondContact O-N 2.92Å; L436-N439 PolarHBondContact O-N 3.47Å; Q437-N439 PolarHBondContact O-N 3Å
440	C	79.6	Confident	89.7	Confident	10 Å²	10	54.9 Å²	54.9	7%	0.068	30%	0.302	C	S	.	.			trans	-89.3	123.8	-177.6	-163.6	0	0	0	0	111.2	L436 Q437 T442	L436-C440 WeakPolarHBondContact O-CB 3.45Å; L436-C440 PolarHBondContact O-N 3.38Å; L436-C440 VanDerWaalsContact O-N 3.12Å; Q437-C440 PolarHBondContact O-N 3.19Å; C440-T442 PolarHBondContact O-N 3.36Å; C440-T442 PolarHBondContact SG-O 3.24Å; C440-T442 VanDerWaalsContact SG-O 3.37Å; C440-T442 PolarHBondContact SG-OG1 2.91Å
441	P	75.8	Confident	89.8	Confident	73 Å²	73	55.1 Å²	55.1	47%	0.474	30%	0.302	S	S	.	.	S	Bend	trans	-68.6	-22.6	176	25	-31.1	0	0	0	112.6	D279	D279-P441 HydrophobicContact CB-CG 3.83Å
442	T	81.3	Confident	89.8	Confident	46 Å²	46	51.9 Å²	51.9	28%	0.282	29%	0.286	S	S	.	.	S	Bend	trans	-95.7	143.1	175.6	50.2	0	0	0	0	111.7	L282 Q287 Q437 C440	L282-T442 HydrophobicContact CB-CG2 4.4Å; L282-T442 WeakPolarHBondContact CD1-OG1 3.44Å; Q287-T442 PolarHBondContact NE2-OG1 3.41Å; Q287-T442 PolarHBondContact OE1-OG1 3.48Å; Q437-T442 PolarHBondContact NE2-O 3.5Å; Q437-T442 VanDerWaalsContact NE2-O 3.08Å; C440-T442 PolarHBondContact O-N 3.36Å; C440-T442 PolarHBondContact SG-O 3.24Å; C440-T442 VanDerWaalsContact SG-O 3.37Å; C440-T442 PolarHBondContact SG-OG1 2.91Å
443	Q	87.5	Confident	89.8	Confident	102 Å²	102	53.4 Å²	53.4	48%	0.477	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-78.9	124	176.4	-67.2	-176.1	-4.2	0	0	111.1	T469	Q443-T469 HydrophobicContact CB-CG2 4.35Å; Q443-T469 HydrophobicContact CG-CG2 4.47Å; Q443-T469 VanDerWaalsContact OE1-CG2 3.28Å
444	I	93	Very high	89.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-86.2	129.6	169.1	-46.9	175.1	0	0	0	107.5	Q287 F289 Y403 I421 L433 L436 V470	Q287-I444 HydrophobicContact CB-CG1 4.48Å; Q287-I444 HydrophobicContact CB-CG2 4.46Å; F289-I444 HydrophobicContact CB-CG2 4.18Å; F289-I444 HydrophobicContact CD1-CG2 4.02Å; Y403-I444 HydrophobicContact CE1-CD1 4.09Å; Y403-I444 HydrophobicContact CE2-CD1 4.22Å; Y403-I444 WeakPolarHBondContact OH-CD1 3.47Å; Y403-I444 WeakPolarHBondContact OH-CG1 3.42Å; I421-I444 HydrophobicContact CD1-CD1 4.23Å; L433-I444 HydrophobicContact CD1-CD1 4.14Å; L436-I444 HydrophobicContact CD2-CD1 3.48Å; L436-I444 VanDerWaalsContact CD2-CD1 3.48Å; I444-V470 HydrophobicContact CB-CG2 3.84Å; I444-V470 HydrophobicContact CG2-CG2 4.18Å; I444-V470 PolarHBondContact O-N 2.88Å; I444-V470 VanDerWaalsContact O-N 3.11Å
445	R	94.4	Very high	89.7	Confident	32 Å²	32	51.9 Å²	51.9	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	154	-169.6	-60.9	177.6	171.3	105.9	-19.6	111.8	Q287 F288 F289 L447 L464 D465 L467 V468	Q287-R445 PolarHBondContact O-N 2.91Å; Q287-R445 VanDerWaalsContact O-N 3.07Å; F288-R445 CarbonylContact C-O 3.15Å; F288-R445 WeakPolarHBondContact CA-O 3.43Å; F288-R445 HydrophobicContact CD1-CB 4.46Å; F289-R445 WeakPolarHBondContact CD1-O 3.11Å; F289-R445 PolarHBondContact N-O 3.12Å; R445-L447 PolarHBondContact O-N 3.44Å; R445-L464 WeakPolarHBondContact CD-O 3.42Å; R445-L464 PolarHBondContact NE-O 3.19Å; R445-D465 IonicContact NH2-OD1 3.44Å; R445-D465 PolarHBondContact NH2-OD1 3.28Å; R445-L467 HydrophobicContact CB-CB 3.92Å; R445-L467 HydrophobicContact CB-CD1 4.22Å; R445-L467 HydrophobicContact CG-CB 4.42Å; R445-V468 CarbonylContact C-O 3.59Å; R445-V468 WeakPolarHBondContact CA-O 3.39Å
446	E	96	Very high	89.5	Confident	33 Å²	33	45 Å²	45	15%	0.154	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.5	178.3	-166.9	162.5	-163.5	0	0	109	F289 P448 V468 R473	F289-E446 HydrophobicContact CE1-CB 3.88Å; F289-E446 HydrophobicContact CE2-CB 4.19Å; F289-E446 HydrophobicContact CE2-CG 4.09Å; F289-E446 HydrophobicContact CZ-CB 3.62Å; F289-E446 HydrophobicContact CZ-CG 4.02Å; E446-P448 WeakPolarHBondContact O-CD 3.44Å; E446-V468 HydrophobicContact CB-CB 4.19Å; E446-V468 PolarHBondContact N-O 3.07Å; E446-R473 VanDerWaalsContact CD-NE 3.34Å; E446-R473 IonicContact OE1-CZ 2.83Å; E446-R473 IonicContact OE1-NE 3.23Å; E446-R473 PolarHBondContact OE1-NE 3.43Å; E446-R473 IonicContact OE1-NH2 2.82Å; E446-R473 PolarHBondContact OE1-NH2 3.29Å; E446-R473 WeakPolarHBondContact OE2-CD 3.48Å; E446-R473 IonicContact OE2-CZ 3.21Å; E446-R473 IonicContact OE2-NE 2.91Å; E446-R473 PolarHBondContact OE2-NE 3.12Å; E446-R473 IonicContact OE2-NH2 2.79Å
447	L	95.8	Very high	89.5	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.047	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-62.2	125.2	177.4	-134.1	-33	0	0	0	108.6	F288 F289 H290 F309 L313 V420 R445 I451 L455	F288-L447 HydrophobicContact CB-CB 4.26Å; F288-L447 HydrophobicContact CB-CD1 4.28Å; F288-L447 HydrophobicContact CB-CG 3.92Å; F288-L447 HydrophobicContact CD1-CD1 4.34Å; F288-L447 HydrophobicContact CD2-CD1 4.46Å; F288-L447 HydrophobicContact CG-CD1 4.11Å; F288-L447 HydrophobicContact CG-CG 4.29Å; F289-L447 PolarHBondContact O-N 2.6Å; H290-L447 HydrophobicContact CB-CB 4.22Å; H290-L447 HydrophobicContact CB-CD2 4.4Å; F309-L447 HydrophobicContact CZ-CD2 3.78Å; L313-L447 HydrophobicContact CD1-CD2 3.99Å; V420-L447 HydrophobicContact CG1-CD2 3.98Å; V420-L447 HydrophobicContact CG1-CG 4.27Å; V420-L447 HydrophobicContact CG2-CD2 4.38Å; V420-L447 HydrophobicContact CG2-CG 4.41Å; R445-L447 PolarHBondContact O-N 3.44Å; L447-I451 HydrophobicContact CD1-CG2 4.34Å; L447-I451 HydrophobicContact CD2-CD1 4.3Å; L447-I451 HydrophobicContact CD2-CG1 4.29Å; L447-L455 HydrophobicContact CD1-CD1 4.26Å; L447-L455 HydrophobicContact CD1-CD2 4.1Å
448	P	93	Very high	89.2	Confident	28 Å²	28	48 Å²	48	18%	0.182	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-60.3	150.4	175.6	-11.9	16.5	0	0	0	112.6	E446 P450 I451 P452 I462 L467	E446-P448 WeakPolarHBondContact O-CD 3.44Å; P448-P450 CarbonylContact C-O 3.46Å; P448-P450 CarbonylContact O-C 3.47Å; P448-I451 PolarHBondContact O-N 3.2Å; P448-P452 HydrophobicContact CG-CG 4.24Å; P448-I462 HydrophobicContact CB-CD1 4.37Å; P448-I462 HydrophobicContact CG-CD1 3.2Å; P448-I462 HydrophobicContact CG-CG1 4.47Å; P448-L467 HydrophobicContact CG-CD1 4.22Å; P448-L467 HydrophobicContact CG-CD2 3.97Å
449	D	89.6	Confident	89	Confident	121 Å²	121	48.8 Å²	48.8	65%	0.647	28%	0.279	S	S	*	.	S	Bend	trans	-124.5	119.6	167.8	-157.5	24.8	0	0	0	108	K312	K312-D449 IonicContact NZ-OD1 2.91Å; K312-D449 PolarHBondContact NZ-OD1 3.24Å; K312-D449 IonicContact NZ-OD2 3.7Å
450	P	91.6	Very high	89.2	Confident	114 Å²	114	44.2 Å²	44.2	74%	0.74	26%	0.255	S	S	*	.	S	Bend	cis	-68	152.3	3.3	30.5	-35.7	0	0	0	113.7	P448 P452	P448-P450 CarbonylContact C-O 3.46Å; P448-P450 CarbonylContact O-C 3.47Å; P450-P452 WeakPolarHBondContact O-CD 3.36Å
451	I	94.4	Very high	89.2	Confident	20 Å²	20	48.9 Å²	48.9	10%	0.103	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-68.9	122.8	178	-55.5	173.8	0	0	0	108.5	F309 K312 L313 A316 L447 P448 S453	F309-I451 HydrophobicContact CE2-CD1 4.32Å; F309-I451 HydrophobicContact CZ-CD1 4.45Å; K312-I451 HydrophobicContact CD-CD1 4.33Å; K312-I451 HydrophobicContact CG-CD1 4.24Å; L313-I451 HydrophobicContact CD1-CD1 4.07Å; L313-I451 HydrophobicContact CD1-CG2 4.03Å; A316-I451 HydrophobicContact CB-CB 4.05Å; A316-I451 HydrophobicContact CB-CD1 4.29Å; A316-I451 HydrophobicContact CB-CG2 4.28Å; L447-I451 HydrophobicContact CD1-CG2 4.34Å; L447-I451 HydrophobicContact CD2-CD1 4.3Å; L447-I451 HydrophobicContact CD2-CG1 4.29Å; P448-I451 PolarHBondContact O-N 3.2Å; I451-S453 PolarHBondContact O-N 3.2Å
452	P	92.7	Very high	89.7	Confident	28 Å²	28	47.1 Å²	47.1	18%	0.182	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-61.8	132.1	174.9	-20.5	31.6	0	0	0	111	P448 P450 D454 L455 I462	P448-P452 HydrophobicContact CG-CG 4.24Å; P450-P452 WeakPolarHBondContact O-CD 3.36Å; P452-D454 VanDerWaalsContact C-N 3.31Å; P452-D454 PolarHBondContact O-N 3.08Å; P452-L455 HydrophobicContact CG-CD1 4.37Å; P452-L455 WeakPolarHBondContact O-CB 3.27Å; P452-I462 HydrophobicContact CG-CD1 3.8Å
453	S	92.8	Very high	89.8	Confident	69 Å²	69	51.3 Å²	51.3	48%	0.483	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-33.1	179.3	57.3	0	0	0	0	112.4	A316 E318 I451 L455	A316-S453 VanDerWaalsContact O-CA 3.26Å; A316-S453 WeakPolarHBondContact O-CA 3.42Å; A316-S453 WeakPolarHBondContact O-CB 3.43Å; E318-S453 WeakPolarHBondContact CB-O 3.48Å; E318-S453 PolarHBondContact N-O 3.26Å; I451-S453 PolarHBondContact O-N 3.2Å; S453-L455 VanDerWaalsContact C-N 3.25Å; S453-L455 PolarHBondContact O-N 3.04Å
454	D	92.9	Very high	89.7	Confident	50 Å²	50	48.7 Å²	48.7	27%	0.267	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	10.6	-176.8	67.3	-11.9	0	0	0	113.8	P452 A456 T457 C460	P452-D454 VanDerWaalsContact C-N 3.31Å; P452-D454 PolarHBondContact O-N 3.08Å; D454-A456 PolarHBondContact O-N 3.33Å; D454-T457 HydrophobicContact CB-CG2 4.29Å; D454-T457 WeakPolarHBondContact O-CB 3.33Å; D454-T457 WeakPolarHBondContact O-CG2 3.26Å; D454-T457 PolarHBondContact O-N 3.33Å; D454-T457 PolarHBondContact O-OG1 2.91Å; D454-C460 VanDerWaalsContact O-CB 3.32Å; D454-C460 WeakPolarHBondContact O-CB 3.34Å; D454-C460 PolarHBondContact OD1-SG 2.65Å; D454-C460 VanDerWaalsContact OD2-CA 3.32Å; D454-C460 WeakPolarHBondContact OD2-CA 3.15Å
455	L	91.7	Very high	89.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-43.4	-172.1	-166	73.2	0	0	0	114.4	R286 F288 T317 A418 V420 L447 P452 S453	R286-L455 PolarHBondContact NH1-O 3.41Å; F288-L455 HydrophobicContact CD2-CD1 4.06Å; F288-L455 HydrophobicContact CD2-CD2 4.27Å; F288-L455 HydrophobicContact CD2-CG 4.4Å; F288-L455 HydrophobicContact CE2-CD1 3.36Å; F288-L455 HydrophobicContact CE2-CD2 4.27Å; F288-L455 HydrophobicContact CE2-CG 3.89Å; F288-L455 HydrophobicContact CZ-CD1 3.62Å; T317-L455 HydrophobicContact CG2-CB 3.94Å; A418-L455 HydrophobicContact CB-CD2 3.94Å; A418-L455 HydrophobicContact CB-CG 3.75Å; V420-L455 HydrophobicContact CG2-CD2 4.21Å; L447-L455 HydrophobicContact CD1-CD1 4.26Å; L447-L455 HydrophobicContact CD1-CD2 4.1Å; P452-L455 HydrophobicContact CG-CD1 4.37Å; P452-L455 WeakPolarHBondContact O-CB 3.27Å; S453-L455 VanDerWaalsContact C-N 3.25Å; S453-L455 PolarHBondContact O-N 3.04Å
456	A	89	Confident	88.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.7	-175.8	0	0	0	0	0	113.7	T317 F319 N389 L390 A418 D454	T317-A456 HydrophobicContact CG2-CB 4.44Å; F319-A456 HydrophobicContact CB-CB 4.35Å; N389-A456 HydrophobicContact CB-CB 4.32Å; N389-A456 WeakPolarHBondContact ND2-CB 3.26Å; N389-A456 PolarHBondContact ND2-O 3.15Å; N389-A456 WeakPolarHBondContact O-CB 3.41Å; L390-A456 HydrophobicContact CB-CB 4.43Å; A418-A456 HydrophobicContact CB-CB 4.34Å; D454-A456 PolarHBondContact O-N 3.33Å
457	T	89.4	Confident	88.6	Confident	29 Å²	29	59.6 Å²	59.6	18%	0.178	34%	0.341	C	S	.	.	S	Bend	trans	-94.5	157	-177.8	75.8	0	0	0	0	111.8	R286 D454 N459	R286-T457 PolarHBondContact NH1-O 3.3Å; D454-T457 HydrophobicContact CB-CG2 4.29Å; D454-T457 WeakPolarHBondContact O-CB 3.33Å; D454-T457 WeakPolarHBondContact O-CG2 3.26Å; D454-T457 PolarHBondContact O-N 3.33Å; D454-T457 PolarHBondContact O-OG1 2.91Å; T457-N459 PolarHBondContact O-N 3.11Å
458	P	82.6	Confident	88.3	Confident	54 Å²	54	62.2 Å²	62.2	35%	0.351	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32	174.2	-23.6	33	0	0	0	113.9	K37 R286 Y416 C460	K37-P458 HydrophobicContact CB-CB 4.12Å; K37-P458 HydrophobicContact CD-CB 4.23Å; R286-P458 PolarHBondContact NH2-O 3.15Å; Y416-P458 HydrophobicContact CD2-CB 3.7Å; Y416-P458 HydrophobicContact CD2-CG 4.04Å; Y416-P458 HydrophobicContact CE2-CB 4.42Å; Y416-P458 HydrophobicContact CG-CB 4.04Å; Y416-P458 HydrophobicContact CG-CG 4.4Å; P458-C460 PolarHBondContact O-N 2.95Å
459	N	84.6	Confident	88.1	Confident	99 Å²	99	61.5 Å²	61.5	53%	0.529	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.8	-171.4	-65.5	-29.8	0	0	0	114.6	K37 T457 S461	K37-N459 PolarHBondContact NZ-OD1 3.15Å; T457-N459 PolarHBondContact O-N 3.11Å; N459-S461 PolarHBondContact O-N 3.39Å; N459-S461 PolarHBondContact O-OG 3.37Å; N459-S461 VanDerWaalsContact O-OG 3.13Å
460	C	85	Confident	88.1	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.074	32%	0.322	C	S	.	.			trans	-56.2	114.1	178.2	-171.8	0	0	0	0	111.1	R286 D454 P458 I462	R286-C460 VanDerWaalsContact CZ-CB 3.5Å; R286-C460 PolarHBondContact NH2-O 3.34Å; R286-C460 VanDerWaalsContact NH2-O 3.09Å; D454-C460 VanDerWaalsContact O-CB 3.32Å; D454-C460 WeakPolarHBondContact O-CB 3.34Å; D454-C460 PolarHBondContact OD1-SG 2.65Å; D454-C460 VanDerWaalsContact OD2-CA 3.32Å; D454-C460 WeakPolarHBondContact OD2-CA 3.15Å; P458-C460 PolarHBondContact O-N 2.95Å; C460-I462 PolarHBondContact O-N 2.97Å; C460-I462 VanDerWaalsContact SG-CG2 3.59Å
461	S	80.4	Confident	87.8	Confident	108 Å²	108	53.6 Å²	53.6	76%	0.755	31%	0.306	S	S	*	.			trans	-88.4	19.2	-171.9	-59.8	0	0	0	0	112.9	N459 E463	N459-S461 PolarHBondContact O-N 3.39Å; N459-S461 PolarHBondContact O-OG 3.37Å; N459-S461 VanDerWaalsContact O-OG 3.13Å; S461-E463 PolarHBondContact O-N 3.1Å
462	I	85.9	Confident	87.5	Confident	36 Å²	36	57 Å²	57	19%	0.185	33%	0.325	C	S	.	.			trans	-68.3	124.1	-178.1	-166.8	157.9	0	0	0	111.6	P448 P452 C460 L464 L467	P448-I462 HydrophobicContact CB-CD1 4.37Å; P448-I462 HydrophobicContact CG-CD1 3.2Å; P448-I462 HydrophobicContact CG-CG1 4.47Å; P452-I462 HydrophobicContact CG-CD1 3.8Å; C460-I462 PolarHBondContact O-N 2.97Å; C460-I462 VanDerWaalsContact SG-CG2 3.59Å; I462-L464 HydrophobicContact CG2-CD2 4.44Å; I462-L464 HydrophobicContact CG2-CG 4.41Å; I462-L464 PolarHBondContact O-N 3.45Å; I462-L467 HydrophobicContact CD1-CD1 4.1Å; I462-L467 HydrophobicContact CG1-CD1 4.29Å
463	E	84.7	Confident	87.2	Confident	135 Å²	135	60.4 Å²	60.4	63%	0.631	33%	0.334	S	S	*	.			trans	-75	92.8	173.6	-70.1	-175.3	-172.4	0	0	109.7	S461 D465 N466	S461-E463 PolarHBondContact O-N 3.1Å; E463-D465 PolarHBondContact O-N 2.66Å; E463-N466 PolarHBondContact O-N 2.82Å; E463-N466 PolarHBondContact OE2-ND2 2.74Å
464	L	83.8	Confident	86.8	Confident	47 Å²	47	58.1 Å²	58.1	25%	0.246	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-56.3	-35	-178	-75.1	165	0	0	0	112.5	F288 R445 I462 N466 L467	F288-L464 HydrophobicContact CE1-CD2 4.17Å; F288-L464 HydrophobicContact CZ-CD2 4.1Å; R445-L464 WeakPolarHBondContact CD-O 3.42Å; R445-L464 PolarHBondContact NE-O 3.19Å; I462-L464 HydrophobicContact CG2-CD2 4.44Å; I462-L464 HydrophobicContact CG2-CG 4.41Å; I462-L464 PolarHBondContact O-N 3.45Å; L464-N466 PolarHBondContact O-N 3.37Å; L464-L467 PolarHBondContact O-N 2.82Å
465	D	83.5	Confident	86.1	Confident	139 Å²	139	60.5 Å²	60.5	74%	0.743	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-71.2	-16.7	-174.4	-62.9	-27.8	0	0	0	114.2	R445 E463	R445-D465 IonicContact NH2-OD1 3.44Å; R445-D465 PolarHBondContact NH2-OD1 3.28Å; E463-D465 PolarHBondContact O-N 2.66Å
466	N	87.2	Confident	85.5	Confident	119 Å²	119	66.6 Å²	66.6	64%	0.636	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-86.5	-9	177.2	-64.9	-18.7	0	0	0	113.4	E463 L464	E463-N466 PolarHBondContact O-N 2.82Å; E463-N466 PolarHBondContact OE2-ND2 2.74Å; L464-N466 PolarHBondContact O-N 3.37Å
467	L	89.7	Confident	84.8	Confident	36 Å²	36	69.5 Å²	69.5	19%	0.188	38%	0.377	C	S	.	.	S	Bend	trans	-86.5	149	-176.1	-56	175.1	0	0	0	111.8	F288 R445 P448 I462 L464 T469	F288-L467 HydrophobicContact CD1-CD1 4.39Å; F288-L467 HydrophobicContact CE1-CD1 3.72Å; R445-L467 HydrophobicContact CB-CB 3.92Å; R445-L467 HydrophobicContact CB-CD1 4.22Å; R445-L467 HydrophobicContact CG-CB 4.42Å; P448-L467 HydrophobicContact CG-CD1 4.22Å; P448-L467 HydrophobicContact CG-CD2 3.97Å; I462-L467 HydrophobicContact CD1-CD1 4.1Å; I462-L467 HydrophobicContact CG1-CD1 4.29Å; L464-L467 PolarHBondContact O-N 2.82Å; L467-T469 PolarHBondContact O-N 3.44Å
468	V	89.7	Confident	83.7	Confident	63 Å²	63	76.5 Å²	76.5	38%	0.382	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-67.8	126.4	179.5	-175.9	0	0	0	0	109.8	R445 E446 N472 R473	R445-V468 CarbonylContact C-O 3.59Å; R445-V468 WeakPolarHBondContact CA-O 3.39Å; E446-V468 HydrophobicContact CB-CB 4.19Å; E446-V468 PolarHBondContact N-O 3.07Å; V468-N472 HydrophobicContact CG1-CB 4.03Å; V468-R473 HydrophobicContact CG1-CB 3.92Å
469	T	89.7	Confident	82.6	Confident	13 Å²	13	80 Å²	80	8%	0.08	43%	0.43	C	S	.	.	B	Isolated β-bridge	trans	-79.5	159.3	175.5	63.1	0	0	0	0	111.5	Q443 L467 T471 N472 R473	Q443-T469 HydrophobicContact CB-CG2 4.35Å; Q443-T469 HydrophobicContact CG-CG2 4.47Å; Q443-T469 VanDerWaalsContact OE1-CG2 3.28Å; L467-T469 PolarHBondContact O-N 3.44Å; T469-T471 VanDerWaalsContact C-N 3.26Å; T469-T471 PolarHBondContact O-N 3.09Å; T469-N472 PolarHBondContact O-N 3.37Å; T469-N472 VanDerWaalsContact O-N 3.15Å; T469-N472 PolarHBondContact OG1-N 3.07Å; T469-N472 PolarHBondContact OG1-ND2 2.64Å; T469-R473 PolarHBondContact O-N 2.78Å
470	V	87.8	Confident	81.7	Confident	0 Å²	0	82 Å²	82	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-51.7	-46.7	172.6	170.5	0	0	0	0	111.3	F289 L433 Q437 I444 N472 R473 M474	F289-V470 HydrophobicContact CD1-CG2 3.35Å; F289-V470 HydrophobicContact CE1-CB 4.26Å; F289-V470 HydrophobicContact CE1-CG2 3.44Å; F289-V470 VanDerWaalsContact CE1-CG2 3.44Å; F289-V470 HydrophobicContact CG-CG2 4.07Å; F289-V470 HydrophobicContact CZ-CG2 4.24Å; L433-V470 HydrophobicContact CD1-CG2 4.19Å; L433-V470 HydrophobicContact CD2-CG1 4.37Å; L433-V470 HydrophobicContact CD2-CG2 3.92Å; L433-V470 HydrophobicContact CG-CG1 3.89Å; L433-V470 HydrophobicContact CG-CG2 3.93Å; Q437-V470 HydrophobicContact CB-CB 4.02Å; Q437-V470 HydrophobicContact CB-CG1 3.85Å; Q437-V470 HydrophobicContact CG-CB 3.97Å; Q437-V470 HydrophobicContact CG-CG1 4.25Å; I444-V470 HydrophobicContact CB-CG2 3.84Å; I444-V470 HydrophobicContact CG2-CG2 4.18Å; I444-V470 PolarHBondContact O-N 2.88Å; I444-V470 VanDerWaalsContact O-N 3.11Å; V470-N472 VanDerWaalsContact C-N 3.3Å; V470-N472 PolarHBondContact O-N 3.5Å; V470-R473 PolarHBondContact O-N 3.27Å; V470-M474 HydrophobicContact CG1-CE 4.37Å; V470-M474 HydrophobicContact CG1-CG 3.75Å; V470-M474 WeakPolarHBondContact O-CB 3.39Å; V470-M474 WeakPolarHBondContact O-CG 3.44Å; V470-M474 PolarHBondContact O-N 2.97Å
471	T	86.6	Confident	80.4	Confident	69 Å²	69	86.4 Å²	86.4	42%	0.423	47%	0.467	S	S	.	.	H	α-helix	trans	-57.6	-43.3	-179.3	-48.8	0	0	0	0	111.9	T469 N475	T469-T471 VanDerWaalsContact C-N 3.26Å; T469-T471 PolarHBondContact O-N 3.09Å; T471-N475 VanDerWaalsContact O-CG 3.27Å; T471-N475 PolarHBondContact O-N 3.38Å; T471-N475 PolarHBondContact O-ND2 3.13Å
472	N	87.1	Confident	79.3	Confident	92 Å²	92	82.6 Å²	82.6	49%	0.492	44%	0.438	S	S	.	.	H	α-helix	trans	-72.4	-37.9	178.9	-69.9	-10.1	0	0	0	112.2	V468 T469 V470 N476	V468-N472 HydrophobicContact CG1-CB 4.03Å; T469-N472 PolarHBondContact O-N 3.37Å; T469-N472 VanDerWaalsContact O-N 3.15Å; T469-N472 PolarHBondContact OG1-N 3.07Å; T469-N472 PolarHBondContact OG1-ND2 2.64Å; V470-N472 VanDerWaalsContact C-N 3.3Å; V470-N472 PolarHBondContact O-N 3.5Å; N472-N476 PolarHBondContact O-ND2 2.91Å
473	R	88	Confident	77.6	Confident	99 Å²	99	91.8 Å²	91.8	37%	0.374	47%	0.471	S	S	.	.	H	α-helix	trans	-69.2	-50	179.7	-169.5	59.2	155.7	160.5	-6.8	111.7	F289 I291 E446 V468 T469 V470 N475 N476 I477	F289-R473 HydrophobicContact CE2-CB 4.32Å; F289-R473 HydrophobicContact CE2-CG 3.99Å; F289-R473 HydrophobicContact CZ-CB 3.77Å; F289-R473 HydrophobicContact CZ-CG 3.9Å; I291-R473 HydrophobicContact CD1-CG 3.88Å; E446-R473 VanDerWaalsContact CD-NE 3.34Å; E446-R473 IonicContact OE1-CZ 2.83Å; E446-R473 IonicContact OE1-NE 3.23Å; E446-R473 PolarHBondContact OE1-NE 3.43Å; E446-R473 IonicContact OE1-NH2 2.82Å; E446-R473 PolarHBondContact OE1-NH2 3.29Å; E446-R473 WeakPolarHBondContact OE2-CD 3.48Å; E446-R473 IonicContact OE2-CZ 3.21Å; E446-R473 IonicContact OE2-NE 2.91Å; E446-R473 PolarHBondContact OE2-NE 3.12Å; E446-R473 IonicContact OE2-NH2 2.79Å; V468-R473 HydrophobicContact CG1-CB 3.92Å; T469-R473 PolarHBondContact O-N 2.78Å; V470-R473 PolarHBondContact O-N 3.27Å; R473-N475 VanDerWaalsContact C-N 3.27Å; R473-N475 PolarHBondContact O-N 3.09Å; R473-N476 PolarHBondContact O-N 3.21Å; R473-I477 HydrophobicContact CG-CD1 4.47Å; R473-I477 PolarHBondContact O-N 2.93Å
474	M	82.8	Confident	75.7	Confident	21 Å²	21	94.2 Å²	94.2	10%	0.103	48%	0.479	C	S	.	.	H	α-helix	trans	-68.7	-22.9	-173.6	-62.5	-61.2	164.7	0	0	113.4	F289 I291 C430 L433 K434 V470 N476 I477	F289-M474 HydrophobicContact CE2-CE 4.42Å; I291-M474 HydrophobicContact CD1-CE 4.11Å; C430-M474 HydrophobicContact CB-CE 4.32Å; C430-M474 HydrophobicContact CB-SD 3.69Å; L433-M474 HydrophobicContact CB-CE 4.42Å; L433-M474 HydrophobicContact CD2-CE 3.69Å; L433-M474 HydrophobicContact CG-CE 4.3Å; K434-M474 HydrophobicContact CB-CG 4.36Å; K434-M474 HydrophobicContact CD-CB 4.18Å; K434-M474 HydrophobicContact CG-CB 4.48Å; V470-M474 HydrophobicContact CG1-CE 4.37Å; V470-M474 HydrophobicContact CG1-CG 3.75Å; V470-M474 WeakPolarHBondContact O-CB 3.39Å; V470-M474 WeakPolarHBondContact O-CG 3.44Å; V470-M474 PolarHBondContact O-N 2.97Å; M474-N476 VanDerWaalsContact C-N 3.27Å; M474-I477 HydrophobicContact CE-CD1 4.34Å; M474-I477 HydrophobicContact SD-CD1 3.47Å; M474-I477 WeakPolarHBondContact SD-CD1 3.44Å
475	N	79.4	Confident	73.8	Confident	101 Å²	101	97 Å²	97	54%	0.54	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.3	172.4	-71.1	-16.6	0	0	0	113.2	K434 T471 R473	K434-N475 PolarHBondContact NZ-OD1 3.11Å; T471-N475 VanDerWaalsContact O-CG 3.27Å; T471-N475 PolarHBondContact O-N 3.38Å; T471-N475 PolarHBondContact O-ND2 3.13Å; R473-N475 VanDerWaalsContact C-N 3.27Å; R473-N475 PolarHBondContact O-N 3.09Å
476	N	78.2	Confident	71.3	Confident	128 Å²	128	96.6 Å²	96.6	68%	0.684	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-6	-176.3	-71.7	-42.8	0	0	0	114.1	N472 R473 M474 Q478	N472-N476 PolarHBondContact O-ND2 2.91Å; R473-N476 PolarHBondContact O-N 3.21Å; M474-N476 VanDerWaalsContact C-N 3.27Å; N476-Q478 PolarHBondContact O-N 3.25Å
477	I	74.5	Confident	68.6	Low	61 Å²	61	96.9 Å²	96.9	31%	0.313	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-72.9	123.2	179.4	-68.7	171.6	0	0	0	109.3	I291 R473 M474	I291-I477 HydrophobicContact CD1-CD1 3.67Å; R473-I477 HydrophobicContact CG-CD1 4.47Å; R473-I477 PolarHBondContact O-N 2.93Å; M474-I477 HydrophobicContact CE-CD1 4.34Å; M474-I477 HydrophobicContact SD-CD1 3.47Å; M474-I477 WeakPolarHBondContact SD-CD1 3.44Å
478	Q	65.5	Low	65.7	Low	175 Å²	175	101 Å²	101	82%	0.818	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-88.7	133.4	167.2	-65.7	-143.6	11.6	0	0	110.3	N476 R480	N476-Q478 PolarHBondContact O-N 3.25Å; Q478-R480 PolarHBondContact O-N 2.65Å
479	P	61	Low	62.8	Low	128 Å²	128	107.3 Å²	107.3	83%	0.831	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-58.9	122.4	177.4	-20.2	29.8	0	0	0	111.4
480	R	65.8	Low	59.9	Low	140 Å²	140	114.2 Å²	114.2	53%	0.528	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-80.5	122	176.4	-169.9	179.6	-179.8	-179	1.2	110.5	Q478 I482	Q478-R480 PolarHBondContact O-N 2.65Å; R480-I482 HydrophobicContact CB-CG1 4.47Å; R480-I482 HydrophobicContact CG-CG1 4.01Å; R480-I482 PolarHBondContact O-N 3.02Å; R480-I482 VanDerWaalsContact O-N 3.15Å
481	A	57	Low	56.9	Low	104 Å²	104	123.7 Å²	123.7	86%	0.86	63%	0.634	S	S	*	*			trans	-74.9	99.4	170.1	0	0	0	0	0	110.4
482	I	57	Low	54	Low	28 Å²	28	131.4 Å²	131.4	14%	0.144	66%	0.655	C	S	.	*	P	Polyproline II helix	trans	-91.8	132.7	177.6	-62.6	175.6	0	0	0	110.1	L297 V426 R480 K484	L297-I482 HydrophobicContact CD1-CB 4.4Å; L297-I482 HydrophobicContact CD2-CB 4.22Å; L297-I482 HydrophobicContact CD2-CD1 3.9Å; L297-I482 HydrophobicContact CD2-CG2 4.48Å; L297-I482 HydrophobicContact CG-CB 4.01Å; L297-I482 HydrophobicContact CG-CD1 4.46Å; L297-I482 HydrophobicContact CG-CG2 3.94Å; V426-I482 HydrophobicContact CG1-CD1 3.17Å; V426-I482 HydrophobicContact CG1-CG1 4.47Å; R480-I482 HydrophobicContact CB-CG1 4.47Å; R480-I482 HydrophobicContact CG-CG1 4.01Å; R480-I482 PolarHBondContact O-N 3.02Å; R480-I482 VanDerWaalsContact O-N 3.15Å; I482-K484 PolarHBondContact O-N 3.47Å
483	R	50.9	Low	50.8	Low	230 Å²	230	133.4 Å²	133.4	87%	0.868	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-61.8	118.5	177.8	-71.2	-178.9	174.9	-179.7	-1.5	109.7	T485	R483-T485 PolarHBondContact O-N 3.05Å
484	K	44.8	Very low	47.9	Very low	185 Å²	185	137.4 Å²	137.4	80%	0.804	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-58.2	121.1	164.2	-66.6	-177.1	179.6	-178.8	0	107.5	I482 T486	I482-K484 PolarHBondContact O-N 3.47Å; K484-T486 PolarHBondContact O-N 2.87Å
485	T	42.8	Very low	45	Very low	106 Å²	106	142.6 Å²	142.6	65%	0.65	73%	0.727	S	S	*	*			trans	-62.3	104.4	170.2	43.3	0	0	0	0	108.2	T296 R483 T487	T296-T485 HydrophobicContact CG2-CG2 4.33Å; R483-T485 PolarHBondContact O-N 3.05Å; T485-T487 PolarHBondContact O-N 3.34Å; T485-T487 VanDerWaalsContact O-N 3.13Å
486	T	30.8	Very low	42.3	Very low	130 Å²	130	145.4 Å²	145.4	80%	0.798	74%	0.742	S	S	*	*			trans	-62	112.5	164.5	44.8	0	0	0	0	107.2	K484	K484-T486 PolarHBondContact O-N 2.87Å
487	T	30.8	Very low	39.7	Very low	126 Å²	126	145.1 Å²	145.1	77%	0.773	75%	0.751	S	S	*	*			trans	-50.1	130.3	166.1	25.2	0	0	0	0	108.8	T485 K489	T485-T487 PolarHBondContact O-N 3.34Å; T485-T487 VanDerWaalsContact O-N 3.13Å; T487-K489 PolarHBondContact O-N 3.42Å
488	P	29.9	Very low	37.2	Very low	121 Å²	121	151.4 Å²	151.4	79%	0.786	78%	0.775	S	S	*	*			trans	-65.6	115.4	-175.7	22.8	-28.3	0	0	0	109.1	I490	P488-I490 PolarHBondContact O-N 3.17Å
489	K	28.8	Very low	35.2	Very low	197 Å²	197	151 Å²	151	86%	0.857	78%	0.778	S	S	*	*			trans	-57.3	112.9	169.1	-76.1	-176.9	176.7	179.5	0	108	T487 K491	T487-K489 PolarHBondContact O-N 3.42Å; K489-K491 PolarHBondContact O-N 2.9Å; K489-K491 VanDerWaalsContact O-N 3.08Å
490	I	28.9	Very low	33.3	Very low	158 Å²	158	153.3 Å²	153.3	81%	0.81	78%	0.777	S	S	*	*			trans	-53.6	114.9	168.4	-65.6	169.2	0	0	0	107.1	P488 R492	P488-I490 PolarHBondContact O-N 3.17Å; I490-R492 PolarHBondContact O-N 3.5Å
491	K	25.3	Very low	31.4	Very low	198 Å²	198	154 Å²	154	86%	0.861	79%	0.792	S	S	*	*			trans	-64.8	96.4	176.1	-73.6	179	176.4	178.3	0	108.7	K489 T493	K489-K491 PolarHBondContact O-N 2.9Å; K489-K491 VanDerWaalsContact O-N 3.08Å; K491-T493 PolarHBondContact O-N 3.29Å
492	R	23.8	Very low	29.7	Very low	231 Å²	231	155.8 Å²	155.8	87%	0.872	79%	0.787	S	S	*	*			trans	-78.9	110.7	153.5	-87.5	-175.6	166.4	165.4	-3.6	107.3	I490 E494	I490-R492 PolarHBondContact O-N 3.5Å; R492-E494 PolarHBondContact O-N 3.45Å
493	T	21.5	Very low	28	Very low	135 Å²	135	159.2 Å²	159.2	83%	0.828	81%	0.813	S	S	*	*			trans	-61.4	105.9	168.9	41.3	0	0	0	0	109.2	K491	K491-T493 PolarHBondContact O-N 3.29Å
494	E	26.1	Very low	26.6	Very low	183 Å²	183	157.1 Å²	157.1	86%	0.855	82%	0.815	S	S	*	*			trans	-130.2	136.3	159.8	-80.8	-174.3	177.3	0	0	110.7	R492	R492-E494 PolarHBondContact O-N 3.45Å
495	T	23.1	Very low	25.4	Very low	130 Å²	130	156.8 Å²	156.8	80%	0.798	82%	0.817	S	S	*	*			trans	-70.1	135.7	-166.9	35.2	0	0	0	0	113.5	S497	T495-S497 PolarHBondContact O-N 3.3Å
496	N	20.9	Very low	24.4	Very low	160 Å²	160	156.9 Å²	156.9	86%	0.856	82%	0.822	S	S	*	*			trans	5.5	109.4	145.1	-72.9	-25.4	0	0	0	116.8
497	S	25.3	Very low	23.9	Very low	122 Å²	122	155.5 Å²	155.5	85%	0.853	82%	0.818	S	S	*	*			trans	-135.1	113.4	138.7	53.1	0	0	0	0	109.2	T495	T495-S497 PolarHBondContact O-N 3.3Å
498	K	21	Very low	23.5	Very low	192 Å²	192	157.3 Å²	157.3	84%	0.835	82%	0.822	S	S	*	*			trans	-66.9	135.8	168.1	-64.9	167	174.7	175.7	0	107.5
499	L	23.5	Very low	23.1	Very low	167 Å²	167	159.8 Å²	159.8	87%	0.874	82%	0.823	S	S	*	*			trans	-156.7	99.6	144.6	-102.4	156.2	0	0	0	107.8
500	H	21.5	Very low	22.6	Very low	176 Å²	176	157.9 Å²	157.9	82%	0.815	82%	0.822	S	S	*	*			trans	-55.7	129.1	158.6	-100.5	-38.1	0	0	0	108.4
501	N	25.3	Very low	22.3	Very low	155 Å²	155	157.2 Å²	157.2	83%	0.829	83%	0.825	S	S	*	*			trans	-139.8	133.2	144.1	-99.6	-21.6	0	0	0	110.9
502	N	22.4	Very low	22.1	Very low	141 Å²	141	153.5 Å²	153.5	75%	0.754	83%	0.825	S	S	*	*			trans	-64.7	151.5	-169.9	-70.2	-35.5	0	0	0	114.7
503	S	20.6	Very low	22	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	83%	0.825	S	S	*	*				51.2	107.8	129.5	174.9	0	0	0	0	118.8
504	M	22.5	Very low	21.9	Very low	186 Å²	186	147.4 Å²	147.4	92%	0.916	82%	0.823	S	S	*	*			trans	-147.3	118.5	133.8	-97.7	-91	127.6	0	0	108.5
505	Q	19.3	Very low	21.7	Very low	178 Å²	178	146.6 Å²	146.6	83%	0.832	82%	0.823	S	S	*	*			trans	-73.6	138.9	167.3	-70.9	168.5	-37.9	0	0	109.6
506	S	20.9	Very low	21.7	Very low	109 Å²	109	148.1 Å²	148.1	76%	0.762	83%	0.826	S	S	*	*				159.8	123.3	120	56.3	0	0	0	0	111.9
507	S	20.1	Very low	21.7	Very low	101 Å²	101	150.7 Å²	150.7	71%	0.706	83%	0.83	S	S	*	*			trans	34.7	112.1	135.9	-38.6	0	0	0	0	119.6
508	N	23.2	Very low	21.4	Very low	163 Å²	163	154.8 Å²	154.8	87%	0.872	83%	0.832	S	S	*	*				176.9	148	102.7	-91.8	-11.4	0	0	0	112.7
509	E	21.3	Very low	21.3	Very low	173 Å²	173	154.2 Å²	154.2	81%	0.808	83%	0.833	S	S	*	*			trans	-69.4	150.9	-176.4	-66.2	171.2	133.1	0	0	114.4
510	L	19.1	Very low	21.2	Very low	158 Å²	158	154.5 Å²	154.5	83%	0.827	84%	0.835	S	S	*	*			trans	26.5	108.8	138.6	-69.5	143.5	0	0	0	118.5
511	T	21	Very low	21	Very low	143 Å²	143	154.9 Å²	154.9	88%	0.877	84%	0.837	S	S	*	*			trans	-148	133.6	132.5	46.6	0	0	0	0	111.4	S513	T511-S513 PolarHBondContact O-N 3.48Å
512	S	21	Very low	20.8	Very low	121 Å²	121	156.2 Å²	156.2	85%	0.846	84%	0.838	S	S	*	*			trans	-49.7	118.5	178.4	-48.9	0	0	0	0	114.2	S514	S512-S514 PolarHBondContact O-N 3.44Å; S512-S514 VanDerWaalsContact O-N 3.16Å
513	S	23.1	Very low	20.7	Very low	127 Å²	127	157.6 Å²	157.6	89%	0.888	85%	0.846	S	S	*	*			trans	-80	88.1	166.5	56.4	0	0	0	0	110.1	T511	T511-S513 PolarHBondContact O-N 3.48Å
514	S	19.7	Very low	20.7	Very low	111 Å²	111	161.2 Å²	161.2	78%	0.776	86%	0.855	S	S	*	*			trans	-117.4	83.8	159.8	-169.9	0	0	0	0	107.6	S512	S512-S514 PolarHBondContact O-N 3.44Å; S512-S514 VanDerWaalsContact O-N 3.16Å
515	L	22	Very low	20.7	Very low	165 Å²	165	155.5 Å²	155.5	86%	0.864	84%	0.844	S	S	*	*			trans	-154.3	115.3	168.8	-83.9	179.8	0	0	0	108.3
516	L	22.5	Very low	20.6	Very low	162 Å²	162	156.2 Å²	156.2	85%	0.848	85%	0.848	S	S	*	*			trans	168.4	88.2	137.5	-92.6	164	0	0	0	107.5
517	F	19.5	Very low	20.7	Very low	215 Å²	215	161.1 Å²	161.1	94%	0.943	86%	0.855	S	S	*	*			trans	-172.8	83.6	149	-91.3	-63.5	0	0	0	107.5
518	K	19.5	Very low	20.8	Very low	207 Å²	207	165.7 Å²	165.7	90%	0.9	86%	0.862	S	S	*	*			trans	-158.3	144.3	159.5	-106.6	-176	-173	-174.4	0	109.5
519	Q	20.1	Very low	20.5	Very low	181 Å²	181	167.9 Å²	167.9	85%	0.846	86%	0.864	S	S	*	*			trans	93	100.5	171.7	-58.1	-174.4	-18.5	0	0	116.3
520	N	19.8	Very low	20.5	Very low	172 Å²	172	166.8 Å²	166.8	92%	0.92	86%	0.862	S	S	*	*				-158.3	88.2	121.9	-90.7	-14.3	0	0	0	108.2
521	E	18.3	Very low	20.5	Very low	184 Å²	184	164.2 Å²	164.2	86%	0.86	86%	0.858	S	S	*	*			trans	-93.8	160.5	153.4	-81.1	-174.3	149	0	0	108.1
522	E	20.3	Very low	20.6	Very low	184 Å²	184	162.7 Å²	162.7	86%	0.86	85%	0.849	S	S	*	*			trans	92.4	94.3	178.2	-57.9	-171.1	166.4	0	0	116.8
523	N	21.5	Very low	20.5	Very low	170 Å²	170	164.2 Å²	164.2	91%	0.909	85%	0.847	S	S	*	*				-164.6	91.4	124.2	-99.6	-51.4	0	0	0	110.2
524	I	20.2	Very low	20.4	Very low	176 Å²	176	166.3 Å²	166.3	90%	0.903	85%	0.847	S	S	*	*			trans	-80.2	113.9	161.9	-68.1	170.6	0	0	0	106.3
525	G	22	Very low	20.4	Very low	66 Å²	66	167 Å²	167	68%	0.68	85%	0.847	S	S	*	*			trans	-137.4	102.9	176.7	0	0	0	0	0	110.2	K527	G525-K527 PolarHBondContact O-N 2.77Å
526	E	18.4	Very low	20.4	Very low	193 Å²	193	166.6 Å²	166.6	90%	0.902	85%	0.846	S	S	*	*			trans	-46.1	123.4	169.3	-64.1	174.1	147.2	0	0	111.4
527	K	22.6	Very low	20.4	Very low	211 Å²	211	164.6 Å²	164.6	92%	0.917	85%	0.845	S	S	*	*			trans	-121.9	105.8	163.7	-90.1	-176.2	178.7	174.4	0	110.5	G525	G525-K527 PolarHBondContact O-N 2.77Å
528	K	20.6	Very low	20.5	Very low	197 Å²	197	163.6 Å²	163.6	86%	0.857	84%	0.841	S	S	*	*			trans	-40.7	138.9	173.8	-73.8	170.7	171.5	173.4	0	114.5	I530	K528-I530 PolarHBondContact O-N 2.76Å
529	F	18.8	Very low	20.5	Very low	209 Å²	209	163.5 Å²	163.5	92%	0.917	84%	0.84	S	S	*	*			trans	-38.6	123.3	156.3	-87.8	-104.8	0	0	0	112.3
530	I	20.9	Very low	20.7	Very low	150 Å²	150	164.9 Å²	164.9	77%	0.769	84%	0.843	S	S	*	*			trans	-99.7	98	162.9	-63.5	175.7	0	0	0	106.9	K528 T532	K528-I530 PolarHBondContact O-N 2.76Å; I530-T532 HydrophobicContact CG2-CG2 3.96Å
531	S	18.5	Very low	20.7	Very low	104 Å²	104	165.3 Å²	165.3	73%	0.727	84%	0.84	S	S	*	*			trans	-76.6	120.7	159.5	52.8	0	0	0	0	108.9
532	T	22.4	Very low	20.9	Very low	112 Å²	112	165.2 Å²	165.2	69%	0.687	84%	0.842	S	S	*	*			trans	-123.5	103.4	165.1	43.4	0	0	0	0	109.8	I530	I530-T532 HydrophobicContact CG2-CG2 3.96Å
533	N	20.3	Very low	21	Very low	153 Å²	153	166.7 Å²	166.7	82%	0.818	85%	0.845	S	S	*	*			trans	-59.1	128.8	166.2	-73.3	-39.4	0	0	0	110.2
534	L	20.5	Very low	21.3	Very low	170 Å²	170	162.5 Å²	162.5	89%	0.89	83%	0.829	S	S	*	*			trans	-86.7	120.4	163.5	-93.3	83	0	0	0	108.9
535	T	20.4	Very low	21.8	Very low	126 Å²	126	161.1 Å²	161.1	77%	0.773	82%	0.823	S	S	*	*			trans	-124.5	117.5	162.4	49.4	0	0	0	0	109.8
536	D	20.6	Very low	22.1	Very low	157 Å²	157	164 Å²	164	84%	0.84	83%	0.828	S	S	*	*			trans	22.4	118.9	148.5	-65.4	-38.6	0	0	0	121
537	S	23.3	Very low	22.6	Very low	119 Å²	119	159 Å²	159	83%	0.832	81%	0.808	S	S	*	*			trans	-159.6	103.2	139.6	-85.1	0	0	0	0	113.5
538	K	21.9	Very low	22.9	Very low	195 Å²	195	154 Å²	154	85%	0.848	79%	0.791	S	S	*	*			trans	42	112.7	136.9	-67.6	178.5	178.6	171.4	0	121.4
539	K	19.2	Very low	23.5	Very low	205 Å²	205	151.5 Å²	151.5	89%	0.891	79%	0.787	S	S	*	*				37.4	112.8	123.4	-74.1	-179	175.1	176.4	0	118.9
540	K	23.3	Very low	24.1	Very low	210 Å²	210	147.4 Å²	147.4	91%	0.913	77%	0.77	S	S	*	*				-155.8	143.1	125.6	-127.4	175.2	-177.6	178.7	0	112.9
541	Q	20.1	Very low	24.4	Very low	180 Å²	180	147.8 Å²	147.8	84%	0.841	76%	0.763	S	S	*	*			trans	-53.8	142	-174.3	-66.1	159.4	-16.4	0	0	115.1
542	M	22.9	Very low	25.1	Very low	183 Å²	183	148.4 Å²	148.4	90%	0.901	76%	0.755	S	S	*	*				-161.5	123.9	126.9	-107	170.4	85.8	0	0	109.6	S544	M542-S544 PolarHBondContact O-N 3.45Å
543	K	22.9	Very low	26	Very low	215 Å²	215	145.1 Å²	145.1	94%	0.935	74%	0.736	S	S	*	*			trans	-71.3	118.4	173.3	-74.3	175.5	172.4	179.9	0	108.8
544	S	27.9	Very low	26.7	Very low	81 Å²	81	142.3 Å²	142.3	57%	0.566	72%	0.719	S	S	*	*			trans	-140.8	97	159.8	60	0	0	0	0	108.2	M542 T546	M542-S544 PolarHBondContact O-N 3.45Å; S544-T546 VanDerWaalsContact C-N 3.35Å; S544-T546 PolarHBondContact O-N 3.37Å
545	N	29.5	Very low	27.9	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	95.8	171.5	-85.4	0.5	0	0	0	108
546	T	29.8	Very low	29.1	Very low	127 Å²	127	135.1 Å²	135.1	78%	0.779	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173.4	-7.1	157.1	12.5	0	0	0	0	113.7	S544	S544-T546 VanDerWaalsContact C-N 3.35Å; S544-T546 PolarHBondContact O-N 3.37Å
547	N	29.2	Very low	30.4	Very low	88 Å²	88	130.7 Å²	130.7	47%	0.471	65%	0.651	S	S	.	*	S	Bend	trans	-115.8	-2.5	-178.8	-81.5	-16	0	0	0	116.4	N549 H550 Y551	N547-N549 VanDerWaalsContact C-N 3.34Å; N547-N549 PolarHBondContact O-N 2.82Å; N547-H550 PolarHBondContact O-N 2.78Å; N547-H550 VanDerWaalsContact O-N 3.12Å; N547-Y551 HydrophobicContact CB-CD2 4.17Å; N547-Y551 HydrophobicContact CB-CE2 4.05Å; N547-Y551 VanDerWaalsContact O-CD2 3.26Å; N547-Y551 WeakPolarHBondContact O-CD2 3.38Å; N547-Y551 PolarHBondContact O-N 3.41Å
548	D	29	Very low	31.6	Very low	106 Å²	106	129.5 Å²	129.5	57%	0.567	64%	0.636	S	S	*	*	H	α-helix	trans	-65.1	-35	-176.9	-70.8	-21.7	0	0	0	113.1	H550 Y551 Q552	D548-H550 VanDerWaalsContact C-N 3.27Å; D548-H550 PolarHBondContact O-N 3.09Å; D548-Y551 PolarHBondContact O-N 3.37Å; D548-Q552 WeakPolarHBondContact O-CB 3.22Å; D548-Q552 PolarHBondContact O-N 2.68Å
549	N	32	Very low	33	Very low	145 Å²	145	121.9 Å²	121.9	78%	0.775	61%	0.609	S	S	*	*	H	α-helix	trans	-66.2	-30	176.1	-71.9	-8.1	0	0	0	112.5	N547 S553	N547-N549 VanDerWaalsContact C-N 3.34Å; N547-N549 PolarHBondContact O-N 2.82Å; N549-S553 WeakPolarHBondContact O-CB 3.39Å; N549-S553 PolarHBondContact O-N 2.9Å
550	H	32.3	Very low	34.6	Very low	123 Å²	123	114 Å²	114	57%	0.569	58%	0.576	S	S	*	*	H	α-helix	trans	-79.4	-34.8	-179.3	-153.5	-48.8	0	0	0	111.7	N547 D548 M554	N547-H550 PolarHBondContact O-N 2.78Å; N547-H550 VanDerWaalsContact O-N 3.12Å; D548-H550 VanDerWaalsContact C-N 3.27Å; D548-H550 PolarHBondContact O-N 3.09Å; H550-M554 WeakPolarHBondContact O-CB 3.39Å; H550-M554 WeakPolarHBondContact O-CG 3.45Å; H550-M554 PolarHBondContact O-N 3.46Å
551	Y	26	Very low	35.9	Very low	158 Å²	158	109.2 Å²	109.2	62%	0.62	56%	0.559	S	S	*	*	H	α-helix	trans	-72.1	-37.8	172.4	-78	-74.6	0	0	0	112.1	N547 D548 N555	N547-Y551 HydrophobicContact CB-CD2 4.17Å; N547-Y551 HydrophobicContact CB-CE2 4.05Å; N547-Y551 VanDerWaalsContact O-CD2 3.26Å; N547-Y551 WeakPolarHBondContact O-CD2 3.38Å; N547-Y551 PolarHBondContact O-N 3.41Å; D548-Y551 PolarHBondContact O-N 3.37Å; Y551-N555 WeakPolarHBondContact O-CB 3.28Å; Y551-N555 PolarHBondContact O-N 3.08Å
552	Q	34.6	Very low	37.7	Very low	117 Å²	117	104.3 Å²	104.3	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-45.5	174.5	-155.3	73.8	26.6	0	0	111.1	D548 M554 N555 D556	D548-Q552 WeakPolarHBondContact O-CB 3.22Å; D548-Q552 PolarHBondContact O-N 2.68Å; Q552-M554 PolarHBondContact O-N 2.86Å; Q552-N555 PolarHBondContact O-N 3.09Å; Q552-D556 WeakPolarHBondContact O-CB 3.36Å; Q552-D556 PolarHBondContact O-N 3.25Å
553	S	39.8	Very low	39.1	Very low	42 Å²	42	97.3 Å²	97.3	29%	0.294	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-40.4	176.2	-179.1	0	0	0	0	113	N549 D556 Q557	N549-S553 WeakPolarHBondContact O-CB 3.39Å; N549-S553 PolarHBondContact O-N 2.9Å; S553-D556 PolarHBondContact O-N 2.97Å; S553-Q557 WeakPolarHBondContact O-CB 3.24Å; S553-Q557 VanDerWaalsContact O-CG 3.22Å; S553-Q557 WeakPolarHBondContact O-CG 3.21Å; S553-Q557 PolarHBondContact O-N 3.43Å
554	M	36.7	Very low	40.4	Very low	94 Å²	94	90.5 Å²	90.5	46%	0.463	48%	0.48	S	S	.	.	H	α-helix	trans	-65.2	-40.1	173.5	-86.1	-120.1	154.1	0	0	112.8	H550 Q552 Q557 N558	H550-M554 WeakPolarHBondContact O-CB 3.39Å; H550-M554 WeakPolarHBondContact O-CG 3.45Å; H550-M554 PolarHBondContact O-N 3.46Å; Q552-M554 PolarHBondContact O-N 2.86Å; M554-Q557 PolarHBondContact O-N 2.89Å; M554-N558 WeakPolarHBondContact O-CB 3.32Å; M554-N558 VanDerWaalsContact O-CG 3.31Å; M554-N558 PolarHBondContact O-N 3.22Å; M554-N558 PolarHBondContact O-ND2 3.03Å
555	N	45	Very low	41.6	Very low	97 Å²	97	89.6 Å²	89.6	52%	0.519	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-41	175.7	-77.5	-16.7	0	0	0	111.7	Y551 Q552 N558 A559	Y551-N555 WeakPolarHBondContact O-CB 3.28Å; Y551-N555 PolarHBondContact O-N 3.08Å; Q552-N555 PolarHBondContact O-N 3.09Å; N555-N558 PolarHBondContact O-N 3.48Å; N555-A559 WeakPolarHBondContact O-CB 3.39Å; N555-A559 PolarHBondContact O-N 3.47Å
556	D	45.8	Very low	42.8	Very low	48 Å²	48	87.7 Å²	87.7	26%	0.257	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-39.2	176.7	-66.2	-21.3	0	0	0	111.4	Q552 S553 A559 L560	Q552-D556 WeakPolarHBondContact O-CB 3.36Å; Q552-D556 PolarHBondContact O-N 3.25Å; S553-D556 PolarHBondContact O-N 2.97Å; D556-A559 PolarHBondContact O-N 3.03Å; D556-L560 PolarHBondContact O-N 3.36Å
557	Q	46.5	Very low	43.8	Very low	65 Å²	65	84.5 Å²	84.5	30%	0.304	43%	0.433	S	S	.	.	H	α-helix	trans	-66.3	-45.3	175.8	-76.8	174.2	-5.8	0	0	112.4	S553 M554 A559 L560 I561	S553-Q557 WeakPolarHBondContact O-CB 3.24Å; S553-Q557 VanDerWaalsContact O-CG 3.22Å; S553-Q557 WeakPolarHBondContact O-CG 3.21Å; S553-Q557 PolarHBondContact O-N 3.43Å; M554-Q557 PolarHBondContact O-N 2.89Å; Q557-A559 VanDerWaalsContact C-N 3.29Å; Q557-A559 PolarHBondContact O-N 2.94Å; Q557-L560 PolarHBondContact O-N 3.4Å; Q557-I561 WeakPolarHBondContact O-CG1 3.37Å; Q557-I561 PolarHBondContact O-N 3.34Å
558	N	49.9	Very low	44.6	Very low	94 Å²	94	84.7 Å²	84.7	50%	0.503	43%	0.432	S	S	.	.	H	α-helix	trans	-63.6	-37.9	175.5	-73.2	-28.3	0	0	0	111.3	M554 N555 I561 V562	M554-N558 WeakPolarHBondContact O-CB 3.32Å; M554-N558 VanDerWaalsContact O-CG 3.31Å; M554-N558 PolarHBondContact O-N 3.22Å; M554-N558 PolarHBondContact O-ND2 3.03Å; N555-N558 PolarHBondContact O-N 3.48Å; N558-I561 PolarHBondContact O-N 2.99Å; N558-V562 VanDerWaalsContact O-CG2 3.28Å; N558-V562 WeakPolarHBondContact O-CG2 3.49Å; N558-V562 PolarHBondContact O-N 3.35Å; N558-V562 VanDerWaalsContact O-N 3.09Å
559	A	51.5	Low	45.8	Very low	34 Å²	34	83.9 Å²	83.9	28%	0.281	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-41.2	174.3	0	0	0	0	0	112.1	N555 D556 Q557 V562 Q563 F605	N555-A559 WeakPolarHBondContact O-CB 3.39Å; N555-A559 PolarHBondContact O-N 3.47Å; D556-A559 PolarHBondContact O-N 3.03Å; Q557-A559 VanDerWaalsContact C-N 3.29Å; Q557-A559 PolarHBondContact O-N 2.94Å; A559-V562 PolarHBondContact O-N 2.84Å; A559-Q563 WeakPolarHBondContact O-CG 3.21Å; A559-Q563 PolarHBondContact O-N 2.96Å; A559-F605 HydrophobicContact CB-CE1 4.09Å; A559-F605 HydrophobicContact CB-CZ 3.89Å
560	L	51.1	Low	46.7	Very low	41 Å²	41	78.7 Å²	78.7	22%	0.215	40%	0.399	C	S	.	.	H	α-helix	trans	-62.4	-46.6	176.3	-166.8	98.3	0	0	0	111.8	D556 Q557 V562 Q563 L564 L602 F605 F606	D556-L560 PolarHBondContact O-N 3.36Å; Q557-L560 PolarHBondContact O-N 3.4Å; L560-V562 VanDerWaalsContact C-N 3.32Å; L560-V562 PolarHBondContact O-N 3.45Å; L560-Q563 PolarHBondContact O-N 3.24Å; L560-L564 HydrophobicContact CD2-CD1 4Å; L560-L564 HydrophobicContact CG-CD1 4.22Å; L560-L564 WeakPolarHBondContact O-CG 3.38Å; L560-L564 PolarHBondContact O-N 2.91Å; L560-L602 HydrophobicContact CD1-CD2 4.22Å; L560-F605 HydrophobicContact CD1-CB 3.67Å; L560-F605 HydrophobicContact CD1-CG 4.37Å; L560-F606 HydrophobicContact CD1-CE2 4.41Å; L560-F606 HydrophobicContact CD1-CZ 4.4Å
561	I	52	Low	47.3	Very low	108 Å²	108	75.6 Å²	75.6	55%	0.554	39%	0.386	S	S	*	.	H	α-helix	trans	-59.5	-44.2	178.3	-68.3	167.1	0	0	0	110.6	Q557 N558 Q563 L564 S565	Q557-I561 WeakPolarHBondContact O-CG1 3.37Å; Q557-I561 PolarHBondContact O-N 3.34Å; N558-I561 PolarHBondContact O-N 2.99Å; I561-Q563 VanDerWaalsContact C-N 3.35Å; I561-Q563 PolarHBondContact O-N 3Å; I561-L564 PolarHBondContact O-N 3.41Å; I561-S565 WeakPolarHBondContact O-CB 3.25Å; I561-S565 PolarHBondContact O-N 3.34Å
562	V	58.3	Low	48.3	Very low	78 Å²	78	72.8 Å²	72.8	47%	0.473	38%	0.379	S	S	.	.	H	α-helix	trans	-64.2	-38.1	177.9	170.8	0	0	0	0	111.9	N558 A559 L560 K566	N558-V562 VanDerWaalsContact O-CG2 3.28Å; N558-V562 WeakPolarHBondContact O-CG2 3.49Å; N558-V562 PolarHBondContact O-N 3.35Å; N558-V562 VanDerWaalsContact O-N 3.09Å; A559-V562 PolarHBondContact O-N 2.84Å; L560-V562 VanDerWaalsContact C-N 3.32Å; L560-V562 PolarHBondContact O-N 3.45Å; V562-K566 WeakPolarHBondContact O-CG 3.34Å; V562-K566 PolarHBondContact O-N 3.42Å; V562-K566 VanDerWaalsContact O-N 3.14Å
563	Q	51.3	Low	49	Very low	35 Å²	35	70.4 Å²	70.4	16%	0.164	38%	0.375	C	S	.	.	H	α-helix	trans	-70.8	-41.9	177.3	-69.1	-66.7	-32.7	0	0	112.2	A559 L560 I561 S565 K566 Y567 L602 F605	A559-Q563 WeakPolarHBondContact O-CG 3.21Å; A559-Q563 PolarHBondContact O-N 2.96Å; L560-Q563 PolarHBondContact O-N 3.24Å; I561-Q563 VanDerWaalsContact C-N 3.35Å; I561-Q563 PolarHBondContact O-N 3Å; Q563-S565 VanDerWaalsContact C-N 3.34Å; Q563-S565 PolarHBondContact O-N 3.43Å; Q563-K566 PolarHBondContact O-N 3.29Å; Q563-Y567 PolarHBondContact O-N 2.9Å; Q563-L602 HydrophobicContact CB-CD2 3.98Å; Q563-L602 HydrophobicContact CB-CG 4.45Å; Q563-F605 HydrophobicContact CG-CE2 4.37Å
564	L	51.1	Low	49.2	Very low	73 Å²	73	71.6 Å²	71.6	38%	0.382	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-39.9	175.3	-74.7	171.6	0	0	0	111.9	L560 I561 Y567 M568 L602	L560-L564 HydrophobicContact CD2-CD1 4Å; L560-L564 HydrophobicContact CG-CD1 4.22Å; L560-L564 WeakPolarHBondContact O-CG 3.38Å; L560-L564 PolarHBondContact O-N 2.91Å; I561-L564 PolarHBondContact O-N 3.41Å; L564-Y567 WeakPolarHBondContact O-CB 3.38Å; L564-Y567 PolarHBondContact O-N 3.1Å; L564-M568 PolarHBondContact O-N 3.21Å; L564-L602 HydrophobicContact CD2-CD1 4.17Å; L564-L602 HydrophobicContact CD2-CD2 3.9Å; L564-L602 HydrophobicContact CG-CD2 3.97Å
565	S	52.7	Low	49.6	Very low	62 Å²	62	71.6 Å²	71.6	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-60.8	-46	174.5	-167.2	0	0	0	0	111.2	I561 Q563 Y567 M568 D569	I561-S565 WeakPolarHBondContact O-CB 3.25Å; I561-S565 PolarHBondContact O-N 3.34Å; Q563-S565 VanDerWaalsContact C-N 3.34Å; Q563-S565 PolarHBondContact O-N 3.43Å; S565-Y567 VanDerWaalsContact C-N 3.29Å; S565-Y567 PolarHBondContact O-N 3.25Å; S565-M568 PolarHBondContact O-N 3.19Å; S565-D569 PolarHBondContact O-N 3.3Å
566	K	55.2	Low	49.4	Very low	106 Å²	106	73.7 Å²	73.7	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-36.9	175.7	-75.1	179.1	178.6	-176.3	0	112.8	V562 Q563 I570	V562-K566 WeakPolarHBondContact O-CG 3.34Å; V562-K566 PolarHBondContact O-N 3.42Å; V562-K566 VanDerWaalsContact O-N 3.14Å; Q563-K566 PolarHBondContact O-N 3.29Å; K566-I570 WeakPolarHBondContact O-CD1 3.44Å; K566-I570 VanDerWaalsContact O-CG1 3.28Å; K566-I570 WeakPolarHBondContact O-CG1 3.5Å; K566-I570 PolarHBondContact O-N 3.47Å; K566-I570 VanDerWaalsContact O-N 3.12Å
567	Y	49.2	Very low	49.2	Very low	61 Å²	61	74.6 Å²	74.6	24%	0.239	40%	0.398	C	S	.	.	H	α-helix	trans	-66.3	-42.8	177	-164.4	-101	0	0	0	111.4	Q563 L564 S565 I570 I571 V595 I598 E599	Q563-Y567 PolarHBondContact O-N 2.9Å; L564-Y567 WeakPolarHBondContact O-CB 3.38Å; L564-Y567 PolarHBondContact O-N 3.1Å; S565-Y567 VanDerWaalsContact C-N 3.29Å; S565-Y567 PolarHBondContact O-N 3.25Å; Y567-I570 PolarHBondContact O-N 2.93Å; Y567-I571 HydrophobicContact CD1-CD1 3.67Å; Y567-I571 HydrophobicContact CD1-CG1 4.45Å; Y567-I571 HydrophobicContact CE1-CD1 3.47Å; Y567-I571 VanDerWaalsContact CE1-CD1 3.47Å; Y567-I571 HydrophobicContact CE1-CG1 4.31Å; Y567-I571 WeakPolarHBondContact O-CG1 3.27Å; Y567-I571 PolarHBondContact O-N 2.99Å; Y567-V595 HydrophobicContact CE2-CG1 3.97Å; Y567-I598 HydrophobicContact CD2-CB 4.31Å; Y567-I598 HydrophobicContact CD2-CG2 3.69Å; Y567-I598 HydrophobicContact CG-CG2 4.33Å; Y567-E599 HydrophobicContact CE2-CG 4.03Å; Y567-E599 PolarHBondContact OH-OE1 2.95Å
568	M	47.8	Very low	48.6	Very low	91 Å²	91	76.7 Å²	76.7	45%	0.448	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-42.5	173.9	-75.1	-60.1	-131.9	0	0	112.3	L564 S565 I570 I571 E572	L564-M568 PolarHBondContact O-N 3.21Å; S565-M568 PolarHBondContact O-N 3.19Å; M568-I570 PolarHBondContact O-N 2.99Å; M568-I571 PolarHBondContact O-N 3.45Å; M568-I571 VanDerWaalsContact O-N 3.13Å; M568-I571 HydrophobicContact SD-CD1 4.39Å; M568-E572 WeakPolarHBondContact O-CB 3.42Å; M568-E572 WeakPolarHBondContact O-CG 3.38Å; M568-E572 PolarHBondContact O-N 2.9Å
569	D	54.2	Low	48	Very low	90 Å²	90	76.3 Å²	76.3	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-59.1	-36.1	176.2	-64.4	-23.2	0	0	0	111.4	S565 S573	S565-D569 PolarHBondContact O-N 3.3Å; D569-S573 VanDerWaalsContact O-CB 3.27Å; D569-S573 WeakPolarHBondContact O-CB 3.32Å; D569-S573 PolarHBondContact O-N 2.89Å; D569-S573 PolarHBondContact O-OG 3.41Å
570	I	50	Low	47.6	Very low	35 Å²	35	80.7 Å²	80.7	18%	0.179	45%	0.446	C	S	.	.	H	α-helix	trans	-67.4	-49.2	174.8	-68.5	164.1	0	0	0	110.3	K566 Y567 M568 E572 S573 E574 V595 I598	K566-I570 WeakPolarHBondContact O-CD1 3.44Å; K566-I570 VanDerWaalsContact O-CG1 3.28Å; K566-I570 WeakPolarHBondContact O-CG1 3.5Å; K566-I570 PolarHBondContact O-N 3.47Å; K566-I570 VanDerWaalsContact O-N 3.12Å; Y567-I570 PolarHBondContact O-N 2.93Å; M568-I570 PolarHBondContact O-N 2.99Å; I570-E572 PolarHBondContact O-N 3.28Å; I570-S573 PolarHBondContact O-N 3.29Å; I570-S573 PolarHBondContact O-OG 3.47Å; I570-E574 HydrophobicContact CG2-CG 4.42Å; I570-E574 WeakPolarHBondContact O-CB 3.39Å; I570-E574 WeakPolarHBondContact O-CG 3.31Å; I570-E574 PolarHBondContact O-N 2.9Å; I570-V595 HydrophobicContact CG2-CG2 4.1Å; I570-I598 HydrophobicContact CD1-CD1 3.4Å; I570-I598 VanDerWaalsContact CD1-CD1 3.4Å
571	I	45.7	Very low	46.8	Very low	58 Å²	58	85.7 Å²	85.7	30%	0.297	47%	0.472	S	S	.	.	H	α-helix	trans	-58.7	-47.5	178.2	-70.5	172.1	0	0	0	110.8	Y567 M568 S573 E574 I575	Y567-I571 HydrophobicContact CD1-CD1 3.67Å; Y567-I571 HydrophobicContact CD1-CG1 4.45Å; Y567-I571 HydrophobicContact CE1-CD1 3.47Å; Y567-I571 VanDerWaalsContact CE1-CD1 3.47Å; Y567-I571 HydrophobicContact CE1-CG1 4.31Å; Y567-I571 WeakPolarHBondContact O-CG1 3.27Å; Y567-I571 PolarHBondContact O-N 2.99Å; M568-I571 PolarHBondContact O-N 3.45Å; M568-I571 VanDerWaalsContact O-N 3.13Å; M568-I571 HydrophobicContact SD-CD1 4.39Å; I571-S573 VanDerWaalsContact C-N 3.34Å; I571-S573 PolarHBondContact O-N 3.37Å; I571-E574 PolarHBondContact O-N 2.86Å; I571-I575 HydrophobicContact CG2-CD1 3.53Å; I571-I575 HydrophobicContact CG2-CG1 4.21Å; I571-I575 WeakPolarHBondContact O-CB 3.3Å; I571-I575 VanDerWaalsContact O-CG1 3.22Å; I571-I575 WeakPolarHBondContact O-CG1 3.32Å; I571-I575 PolarHBondContact O-N 2.89Å
572	E	46.2	Very low	45.7	Very low	100 Å²	100	84.5 Å²	84.5	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-44	177.3	-73.7	-178	-178.8	0	0	110.8	M568 I570 E574 I575 D576	M568-E572 WeakPolarHBondContact O-CB 3.42Å; M568-E572 WeakPolarHBondContact O-CG 3.38Å; M568-E572 PolarHBondContact O-N 2.9Å; I570-E572 PolarHBondContact O-N 3.28Å; E572-E574 VanDerWaalsContact C-N 3.32Å; E572-E574 PolarHBondContact O-N 3.2Å; E572-I575 PolarHBondContact O-N 2.63Å; E572-D576 WeakPolarHBondContact O-CB 3.41Å; E572-D576 PolarHBondContact O-N 2.65Å
573	S	49.8	Very low	44.5	Very low	66 Å²	66	86.4 Å²	86.4	46%	0.462	50%	0.498	S	S	.	.	H	α-helix	trans	-65.2	-33.6	176.6	77.4	0	0	0	0	113.6	D569 I570 I571 S577	D569-S573 VanDerWaalsContact O-CB 3.27Å; D569-S573 WeakPolarHBondContact O-CB 3.32Å; D569-S573 PolarHBondContact O-N 2.89Å; D569-S573 PolarHBondContact O-OG 3.41Å; I570-S573 PolarHBondContact O-N 3.29Å; I570-S573 PolarHBondContact O-OG 3.47Å; I571-S573 VanDerWaalsContact C-N 3.34Å; I571-S573 PolarHBondContact O-N 3.37Å; S573-S577 WeakPolarHBondContact O-CB 3.47Å; S573-S577 PolarHBondContact O-N 2.83Å; S573-S577 VanDerWaalsContact O-N 3.16Å
574	E	43.4	Very low	43.3	Very low	67 Å²	67	91.3 Å²	91.3	31%	0.313	53%	0.531	S	S	.	.	H	α-helix	trans	-74.5	-41.1	176.9	-77.7	-175.9	165	0	0	110.7	I570 I571 E572 S577 V578 S591	I570-E574 HydrophobicContact CG2-CG 4.42Å; I570-E574 WeakPolarHBondContact O-CB 3.39Å; I570-E574 WeakPolarHBondContact O-CG 3.31Å; I570-E574 PolarHBondContact O-N 2.9Å; I571-E574 PolarHBondContact O-N 2.86Å; E572-E574 VanDerWaalsContact C-N 3.32Å; E572-E574 PolarHBondContact O-N 3.2Å; E574-S577 PolarHBondContact O-N 3.16Å; E574-S577 PolarHBondContact O-OG 3.03Å; E574-V578 WeakPolarHBondContact O-CG2 3.35Å; E574-V578 PolarHBondContact O-N 3.05Å; E574-S591 WeakPolarHBondContact OE1-CB 3.28Å; E574-S591 PolarHBondContact OE1-OG 3.39Å
575	I	44.1	Very low	42.3	Very low	94 Å²	94	93.2 Å²	93.2	48%	0.482	54%	0.54	S	S	.	.	H	α-helix	trans	-61.6	-46.1	173.6	-69.7	169.9	0	0	0	110.7	I571 E572 S577 V578	I571-I575 HydrophobicContact CG2-CD1 3.53Å; I571-I575 HydrophobicContact CG2-CG1 4.21Å; I571-I575 WeakPolarHBondContact O-CB 3.3Å; I571-I575 VanDerWaalsContact O-CG1 3.22Å; I571-I575 WeakPolarHBondContact O-CG1 3.32Å; I571-I575 PolarHBondContact O-N 2.89Å; E572-I575 PolarHBondContact O-N 2.63Å; I575-S577 PolarHBondContact O-N 2.94Å; I575-V578 WeakPolarHBondContact O-CB 3.44Å; I575-V578 PolarHBondContact O-N 2.75Å
576	D	41.4	Very low	41.2	Very low	141 Å²	141	94 Å²	94	75%	0.754	55%	0.55	S	S	*	*	H	α-helix	trans	-65.3	-24.5	177.8	-79.1	-12.4	0	0	0	112.5	E572 V578	E572-D576 WeakPolarHBondContact O-CB 3.41Å; E572-D576 PolarHBondContact O-N 2.65Å; D576-V578 VanDerWaalsContact C-N 3.3Å
577	S	42.3	Very low	40.2	Very low	67 Å²	67	99.5 Å²	99.5	47%	0.469	57%	0.568	S	S	.	*	H	α-helix	trans	-77.5	-14.4	175	81.3	0	0	0	0	113.6	S573 E574 I575 S579	S573-S577 WeakPolarHBondContact O-CB 3.47Å; S573-S577 PolarHBondContact O-N 2.83Å; S573-S577 VanDerWaalsContact O-N 3.16Å; E574-S577 PolarHBondContact O-N 3.16Å; E574-S577 PolarHBondContact O-OG 3.03Å; I575-S577 PolarHBondContact O-N 2.94Å; S577-S579 VanDerWaalsContact C-N 3.35Å; S577-S579 PolarHBondContact O-N 3.05Å
578	V	34.6	Very low	39.4	Very low	109 Å²	109	104 Å²	104	66%	0.661	59%	0.591	S	S	*	*			trans	-77	87.2	174.9	-172.6	0	0	0	0	108.9	E574 I575 D576	E574-V578 WeakPolarHBondContact O-CG2 3.35Å; E574-V578 PolarHBondContact O-N 3.05Å; I575-V578 WeakPolarHBondContact O-CB 3.44Å; I575-V578 PolarHBondContact O-N 2.75Å; D576-V578 VanDerWaalsContact C-N 3.3Å
579	S	36.3	Very low	39	Very low	86 Å²	86	105.7 Å²	105.7	60%	0.601	60%	0.602	S	S	*	*			trans	-67.5	139.7	174.1	-130	0	0	0	0	110.7	S577 L581	S577-S579 VanDerWaalsContact C-N 3.35Å; S577-S579 PolarHBondContact O-N 3.05Å; S579-L581 PolarHBondContact O-N 2.91Å
580	P	43.6	Very low	38.2	Very low	127 Å²	127	109.5 Å²	109.5	83%	0.825	62%	0.615	S	S	*	*	S	Bend	trans	-65	-10.8	-171.1	-20.8	31.1	0	0	0	115.7
581	L	33.1	Very low	37.9	Very low	146 Å²	146	110 Å²	110	76%	0.764	62%	0.622	S	S	*	*	S	Bend	trans	-103.3	83.7	176.2	-95.2	84.7	0	0	0	110.2	S579 T583	S579-L581 PolarHBondContact O-N 2.91Å; L581-T583 PolarHBondContact O-N 2.79Å; L581-T583 PolarHBondContact O-OG1 2.87Å
582	G	29.7	Very low	37.9	Very low	83 Å²	83	109 Å²	109	86%	0.856	62%	0.622	S	S	*	*			trans	31.3	19.3	140.6	0	0	0	0	0	123
583	T	32.2	Very low	37.9	Very low	117 Å²	117	111.5 Å²	111.5	72%	0.718	63%	0.633	S	S	*	*			trans	-85.2	118.2	169.3	22.6	0	0	0	0	109	L581 I585	L581-T583 PolarHBondContact O-N 2.79Å; L581-T583 PolarHBondContact O-OG1 2.87Å; T583-I585 VanDerWaalsContact C-N 3.33Å; T583-I585 PolarHBondContact O-N 2.84Å
584	T	26.2	Very low	38	Very low	139 Å²	139	113.4 Å²	113.4	85%	0.853	64%	0.638	S	S	*	*			trans	-56.2	92.6	172.1	-44.2	0	0	0	0	109.3	A586	T584-A586 PolarHBondContact O-N 3.28Å; T584-A586 VanDerWaalsContact O-N 3.07Å
585	I	31.1	Very low	38.3	Very low	113 Å²	113	111.4 Å²	111.4	58%	0.579	63%	0.631	S	S	*	*			trans	-69.1	108.7	169.1	-60	176.3	0	0	0	105.1	T583 W587	T583-I585 VanDerWaalsContact C-N 3.33Å; T583-I585 PolarHBondContact O-N 2.84Å; I585-W587 PolarHBondContact O-N 2.76Å
586	A	29.5	Very low	38.8	Very low	78 Å²	78	111.2 Å²	111.2	65%	0.645	63%	0.63	S	S	*	*			trans	-57.9	115	169.7	0	0	0	0	0	107.3	T584 E588	T584-A586 PolarHBondContact O-N 3.28Å; T584-A586 VanDerWaalsContact O-N 3.07Å; A586-E588 VanDerWaalsContact C-N 3.34Å; A586-E588 PolarHBondContact O-N 3.1Å
587	W	33.8	Very low	39.8	Very low	221 Å²	221	109 Å²	109	84%	0.837	62%	0.616	S	S	*	*			trans	-56.6	91.8	-179.9	-58.5	73.6	0	0	0	109.3	I585 N589	I585-W587 PolarHBondContact O-N 2.76Å; W587-N589 PolarHBondContact O-N 2.58Å; W587-N589 VanDerWaalsContact O-N 3.17Å
588	E	32.6	Very low	40.1	Very low	155 Å²	155	106.6 Å²	106.6	72%	0.724	60%	0.597	S	S	*	*			trans	-72.3	110.4	169.7	-80.5	-164.7	167.5	0	0	107.6	A586 K590	A586-E588 VanDerWaalsContact C-N 3.34Å; A586-E588 PolarHBondContact O-N 3.1Å; E588-K590 PolarHBondContact O-N 2.84Å
589	N	38.6	Very low	40.9	Very low	127 Å²	127	105.9 Å²	105.9	68%	0.679	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	22.1	-175.9	-82.3	-26.3	0	0	0	117.3	W587	W587-N589 PolarHBondContact O-N 2.58Å; W587-N589 VanDerWaalsContact O-N 3.17Å
590	K	37	Very low	42.2	Very low	170 Å²	170	108.3 Å²	108.3	74%	0.739	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-29.6	176.3	-78.1	179.9	-180	165.3	0	113.1	E588	E588-K590 PolarHBondContact O-N 2.84Å
591	S	44.7	Very low	42.8	Very low	47 Å²	47	104.7 Å²	104.7	33%	0.329	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-34.3	176.5	62.9	0	0	0	0	112.6	E574 Q593 N594 V595	E574-S591 WeakPolarHBondContact OE1-CB 3.28Å; E574-S591 PolarHBondContact OE1-OG 3.39Å; S591-Q593 VanDerWaalsContact C-N 3.32Å; S591-Q593 PolarHBondContact O-N 2.98Å; S591-N594 PolarHBondContact O-N 3.3Å; S591-V595 WeakPolarHBondContact O-CG2 3.44Å; S591-V595 PolarHBondContact O-N 2.83Å
592	A	45.4	Very low	43.8	Very low	36 Å²	36	98.5 Å²	98.5	30%	0.298	52%	0.524	S	S	.	.	H	α-helix	trans	-54.1	-41.8	-177.9	0	0	0	0	0	113.8	N594 V595 D596	A592-N594 VanDerWaalsContact C-N 3.34Å; A592-N594 PolarHBondContact O-N 3.43Å; A592-V595 PolarHBondContact O-N 3.41Å; A592-D596 WeakPolarHBondContact O-CB 3.47Å; A592-D596 VanDerWaalsContact O-CG 3.3Å; A592-D596 PolarHBondContact O-N 2.82Å
593	Q	45.7	Very low	45	Very low	153 Å²	153	100.2 Å²	100.2	72%	0.715	51%	0.513	S	S	*	.	H	α-helix	trans	-66.4	-32.5	178.6	-74.1	-171.3	-19.4	0	0	113.6	S591 E597	S591-Q593 VanDerWaalsContact C-N 3.32Å; S591-Q593 PolarHBondContact O-N 2.98Å; Q593-E597 PolarHBondContact O-N 3Å
594	N	51.6	Low	46.2	Very low	106 Å²	106	97.1 Å²	97.1	57%	0.567	50%	0.496	S	S	*	.	H	α-helix	trans	-75.6	-38	176.4	-86.2	-17.2	0	0	0	111.4	S591 A592 E597 I598	S591-N594 PolarHBondContact O-N 3.3Å; A592-N594 VanDerWaalsContact C-N 3.34Å; A592-N594 PolarHBondContact O-N 3.43Å; N594-E597 PolarHBondContact O-N 2.77Å; N594-I598 WeakPolarHBondContact O-CD1 3.34Å; N594-I598 VanDerWaalsContact O-CG1 3.23Å; N594-I598 WeakPolarHBondContact O-CG1 3.41Å; N594-I598 PolarHBondContact O-N 3.35Å
595	V	51.2	Low	47.5	Very low	25 Å²	25	92.9 Å²	92.9	15%	0.152	47%	0.466	C	S	.	.	H	α-helix	trans	-64.3	-49.2	176.8	175.4	0	0	0	0	110.3	Y567 I570 S591 A592 E597 I598 E599	Y567-V595 HydrophobicContact CE2-CG1 3.97Å; I570-V595 HydrophobicContact CG2-CG2 4.1Å; S591-V595 WeakPolarHBondContact O-CG2 3.44Å; S591-V595 PolarHBondContact O-N 2.83Å; A592-V595 PolarHBondContact O-N 3.41Å; V595-E597 VanDerWaalsContact C-N 3.27Å; V595-E597 PolarHBondContact O-N 2.83Å; V595-I598 PolarHBondContact O-N 3.28Å; V595-I598 VanDerWaalsContact O-N 3.09Å; V595-E599 HydrophobicContact CG1-CG 4.33Å; V595-E599 WeakPolarHBondContact O-CG 3.29Å; V595-E599 PolarHBondContact O-N 2.85Å
596	D	53.3	Low	48.3	Very low	89 Å²	89	92.7 Å²	92.7	48%	0.476	46%	0.461	S	S	.	.	H	α-helix	trans	-59	-36.3	178.2	-73.2	-20.3	0	0	0	112.7	A592 R600	A592-D596 WeakPolarHBondContact O-CB 3.47Å; A592-D596 VanDerWaalsContact O-CG 3.3Å; A592-D596 PolarHBondContact O-N 2.82Å; D596-R600 WeakPolarHBondContact O-CB 3.26Å; D596-R600 PolarHBondContact O-N 2.9Å; D596-R600 PolarHBondContact O-NE 3.36Å
597	E	62.4	Low	49.4	Very low	95 Å²	95	92 Å²	92	44%	0.444	45%	0.449	S	S	.	.	H	α-helix	trans	-68.3	-45.1	175.4	-171.9	108.7	163.3	0	0	111.6	Q593 N594 V595 R600 N601	Q593-E597 PolarHBondContact O-N 3Å; N594-E597 PolarHBondContact O-N 2.77Å; V595-E597 VanDerWaalsContact C-N 3.27Å; V595-E597 PolarHBondContact O-N 2.83Å; E597-R600 PolarHBondContact O-N 3.44Å; E597-R600 IonicContact OE2-CZ 3.68Å; E597-R600 IonicContact OE2-NH1 2.8Å; E597-R600 PolarHBondContact OE2-NH1 3.48Å; E597-R600 IonicContact OE2-NH2 3.51Å; E597-R600 PolarHBondContact OE2-NH2 2.95Å; E597-N601 WeakPolarHBondContact O-CB 3.36Å; E597-N601 PolarHBondContact O-N 3.06Å; E597-N601 PolarHBondContact O-ND2 2.96Å; E597-N601 VanDerWaalsContact O-ND2 3.1Å
598	I	48.9	Very low	50.2	Low	16 Å²	16	85.6 Å²	85.6	8%	0.082	43%	0.431	C	S	.	.	H	α-helix	trans	-66	-43.9	178.7	-66	163.8	0	0	0	110.3	Y567 I570 N594 V595 N601 L602	Y567-I598 HydrophobicContact CD2-CB 4.31Å; Y567-I598 HydrophobicContact CD2-CG2 3.69Å; Y567-I598 HydrophobicContact CG-CG2 4.33Å; I570-I598 HydrophobicContact CD1-CD1 3.4Å; I570-I598 VanDerWaalsContact CD1-CD1 3.4Å; N594-I598 WeakPolarHBondContact O-CD1 3.34Å; N594-I598 VanDerWaalsContact O-CG1 3.23Å; N594-I598 WeakPolarHBondContact O-CG1 3.41Å; N594-I598 PolarHBondContact O-N 3.35Å; V595-I598 PolarHBondContact O-N 3.28Å; V595-I598 VanDerWaalsContact O-N 3.09Å; I598-N601 PolarHBondContact O-N 3.32Å; I598-L602 HydrophobicContact CG2-CD1 3.9Å; I598-L602 HydrophobicContact CG2-CG 4.26Å; I598-L602 WeakPolarHBondContact O-CB 3.42Å; I598-L602 WeakPolarHBondContact O-CG 3.45Å; I598-L602 PolarHBondContact O-N 2.87Å
599	E	52.5	Low	50.7	Low	94 Å²	94	84.1 Å²	84.1	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-45.3	175.8	-74.2	-168.2	165.1	0	0	111.9	Y567 V595 N601 L602 L603	Y567-E599 HydrophobicContact CE2-CG 4.03Å; Y567-E599 PolarHBondContact OH-OE1 2.95Å; V595-E599 HydrophobicContact CG1-CG 4.33Å; V595-E599 WeakPolarHBondContact O-CG 3.29Å; V595-E599 PolarHBondContact O-N 2.85Å; E599-N601 VanDerWaalsContact C-N 3.31Å; E599-N601 PolarHBondContact O-N 3.22Å; E599-L602 PolarHBondContact O-N 2.86Å; E599-L603 VanDerWaalsContact O-CB 3.32Å; E599-L603 WeakPolarHBondContact O-CB 3.45Å; E599-L603 PolarHBondContact O-N 3.22Å
600	R	62.5	Low	51	Low	137 Å²	137	84.5 Å²	84.5	52%	0.517	42%	0.417	S	S	.	.	H	α-helix	trans	-58.3	-44	173.4	-91	-174	-71.7	112	-3.1	111.8	D596 E597 S604	D596-R600 WeakPolarHBondContact O-CB 3.26Å; D596-R600 PolarHBondContact O-N 2.9Å; D596-R600 PolarHBondContact O-NE 3.36Å; E597-R600 PolarHBondContact O-N 3.44Å; E597-R600 IonicContact OE2-CZ 3.68Å; E597-R600 IonicContact OE2-NH1 2.8Å; E597-R600 PolarHBondContact OE2-NH1 3.48Å; E597-R600 IonicContact OE2-NH2 3.51Å; E597-R600 PolarHBondContact OE2-NH2 2.95Å; R600-S604 WeakPolarHBondContact O-CB 3.27Å; R600-S604 PolarHBondContact O-N 3.08Å
601	N	56.9	Low	51.5	Low	52 Å²	52	82.7 Å²	82.7	28%	0.278	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-47.9	179.3	-73.1	-30.6	0	0	0	110.9	E597 I598 E599 L603 S604 F605	E597-N601 WeakPolarHBondContact O-CB 3.36Å; E597-N601 PolarHBondContact O-N 3.06Å; E597-N601 PolarHBondContact O-ND2 2.96Å; E597-N601 VanDerWaalsContact O-ND2 3.1Å; I598-N601 PolarHBondContact O-N 3.32Å; E599-N601 VanDerWaalsContact C-N 3.31Å; E599-N601 PolarHBondContact O-N 3.22Å; N601-L603 PolarHBondContact O-N 3.31Å; N601-S604 PolarHBondContact O-N 3.41Å; N601-S604 VanDerWaalsContact O-N 3.17Å; N601-S604 PolarHBondContact O-OG 2.78Å; N601-F605 HydrophobicContact CB-CE2 4.45Å; N601-F605 WeakPolarHBondContact O-CD2 3.45Å; N601-F605 PolarHBondContact O-N 3.49Å
602	L	54.1	Low	51.3	Low	16 Å²	16	84.5 Å²	84.5	8%	0.084	42%	0.415	C	S	.	.	H	α-helix	trans	-56.8	-48.3	175.6	-76	171.5	0	0	0	111.2	L560 Q563 L564 I598 E599 S604 F605 F606	L560-L602 HydrophobicContact CD1-CD2 4.22Å; Q563-L602 HydrophobicContact CB-CD2 3.98Å; Q563-L602 HydrophobicContact CB-CG 4.45Å; L564-L602 HydrophobicContact CD2-CD1 4.17Å; L564-L602 HydrophobicContact CD2-CD2 3.9Å; L564-L602 HydrophobicContact CG-CD2 3.97Å; I598-L602 HydrophobicContact CG2-CD1 3.9Å; I598-L602 HydrophobicContact CG2-CG 4.26Å; I598-L602 WeakPolarHBondContact O-CB 3.42Å; I598-L602 WeakPolarHBondContact O-CG 3.45Å; I598-L602 PolarHBondContact O-N 2.87Å; E599-L602 PolarHBondContact O-N 2.86Å; L602-S604 VanDerWaalsContact C-N 3.3Å; L602-S604 PolarHBondContact O-N 3.09Å; L602-F605 PolarHBondContact O-N 2.98Å; L602-F605 VanDerWaalsContact O-N 3.14Å; L602-F606 HydrophobicContact CB-CD2 4.45Å; L602-F606 HydrophobicContact CB-CE2 4.43Å; L602-F606 HydrophobicContact CD2-CE2 4.49Å; L602-F606 WeakPolarHBondContact O-CD2 3.38Å; L602-F606 PolarHBondContact O-N 3.46Å
603	L	54.9	Low	50.9	Low	119 Å²	119	84.4 Å²	84.4	62%	0.623	42%	0.418	S	S	*	.	H	α-helix	trans	-61.3	-40	177.9	-169.9	67.1	0	0	0	111.6	E599 N601 T607	E599-L603 VanDerWaalsContact O-CB 3.32Å; E599-L603 WeakPolarHBondContact O-CB 3.45Å; E599-L603 PolarHBondContact O-N 3.22Å; N601-L603 PolarHBondContact O-N 3.31Å; L603-T607 VanDerWaalsContact O-CB 3.29Å; L603-T607 WeakPolarHBondContact O-CB 3.4Å; L603-T607 PolarHBondContact O-N 2.88Å; L603-T607 PolarHBondContact O-OG1 2.95Å
604	S	57.6	Low	50.1	Low	51 Å²	51	82.8 Å²	82.8	36%	0.357	41%	0.412	S	S	.	.	H	α-helix	trans	-65	-38.9	175.1	82.7	0	0	0	0	112.5	R600 N601 L602 T607 N608	R600-S604 WeakPolarHBondContact O-CB 3.27Å; R600-S604 PolarHBondContact O-N 3.08Å; N601-S604 PolarHBondContact O-N 3.41Å; N601-S604 VanDerWaalsContact O-N 3.17Å; N601-S604 PolarHBondContact O-OG 2.78Å; L602-S604 VanDerWaalsContact C-N 3.3Å; L602-S604 PolarHBondContact O-N 3.09Å; S604-T607 PolarHBondContact O-N 3.12Å; S604-N608 WeakPolarHBondContact O-CB 3.26Å; S604-N608 PolarHBondContact O-N 3.11Å
605	F	53.2	Low	49	Very low	51 Å²	51	83.9 Å²	83.9	22%	0.224	41%	0.413	C	S	.	.	H	α-helix	trans	-67.5	-46.8	175.7	-80.5	-65.4	0	0	0	111.4	A559 L560 Q563 N601 L602 T607 N608 Y609	A559-F605 HydrophobicContact CB-CE1 4.09Å; A559-F605 HydrophobicContact CB-CZ 3.89Å; L560-F605 HydrophobicContact CD1-CB 3.67Å; L560-F605 HydrophobicContact CD1-CG 4.37Å; Q563-F605 HydrophobicContact CG-CE2 4.37Å; N601-F605 HydrophobicContact CB-CE2 4.45Å; N601-F605 WeakPolarHBondContact O-CD2 3.45Å; N601-F605 PolarHBondContact O-N 3.49Å; L602-F605 PolarHBondContact O-N 2.98Å; L602-F605 VanDerWaalsContact O-N 3.14Å; F605-T607 VanDerWaalsContact C-N 3.31Å; F605-T607 PolarHBondContact O-N 3.29Å; F605-N608 PolarHBondContact O-N 3.04Å; F605-Y609 WeakPolarHBondContact O-CB 3.47Å; F605-Y609 PolarHBondContact O-N 3.2Å
606	F	46.9	Very low	47.9	Very low	108 Å²	108	89 Å²	89	47%	0.474	44%	0.439	S	S	.	.	H	α-helix	trans	-59.9	-42.8	175.1	-79.8	-66	0	0	0	111.3	L560 L602 Y609 H610	L560-F606 HydrophobicContact CD1-CE2 4.41Å; L560-F606 HydrophobicContact CD1-CZ 4.4Å; L602-F606 HydrophobicContact CB-CD2 4.45Å; L602-F606 HydrophobicContact CB-CE2 4.43Å; L602-F606 HydrophobicContact CD2-CE2 4.49Å; L602-F606 WeakPolarHBondContact O-CD2 3.38Å; L602-F606 PolarHBondContact O-N 3.46Å; F606-Y609 PolarHBondContact O-N 3.21Å; F606-H610 WeakPolarHBondContact O-CB 3.38Å; F606-H610 PolarHBondContact O-N 3.18Å
607	T	53.1	Low	46.8	Very low	65 Å²	65	88.3 Å²	88.3	40%	0.399	44%	0.441	S	S	.	.	H	α-helix	trans	-65.4	-43.9	178.5	-55.9	0	0	0	0	111.8	L603 S604 F605 H610 K611	L603-T607 VanDerWaalsContact O-CB 3.29Å; L603-T607 WeakPolarHBondContact O-CB 3.4Å; L603-T607 PolarHBondContact O-N 2.88Å; L603-T607 PolarHBondContact O-OG1 2.95Å; S604-T607 PolarHBondContact O-N 3.12Å; F605-T607 VanDerWaalsContact C-N 3.31Å; F605-T607 PolarHBondContact O-N 3.29Å; T607-H610 PolarHBondContact O-N 3.02Å; T607-K611 WeakPolarHBondContact O-CB 3.36Å; T607-K611 WeakPolarHBondContact O-CG 3.29Å; T607-K611 PolarHBondContact O-N 3.42Å
608	N	50.7	Low	45.1	Very low	85 Å²	85	89.6 Å²	89.6	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-67	-39.6	176.3	-79.1	-19.8	0	0	0	111.7	S604 F605 K611 N612	S604-N608 WeakPolarHBondContact O-CB 3.26Å; S604-N608 PolarHBondContact O-N 3.11Å; F605-N608 PolarHBondContact O-N 3.04Å; N608-K611 PolarHBondContact O-N 3.12Å; N608-N612 WeakPolarHBondContact O-CB 3.45Å; N608-N612 VanDerWaalsContact O-CG 3.28Å; N608-N612 PolarHBondContact O-N 2.99Å; N608-N612 PolarHBondContact O-ND2 3.37Å
609	Y	44.1	Very low	44	Very low	124 Å²	124	95 Å²	95	49%	0.486	48%	0.48	S	S	.	.	H	α-helix	trans	-65.5	-41.2	176.3	-168.1	-94.7	0	0	0	111.6	F605 F606 N612 G613	F605-Y609 WeakPolarHBondContact O-CB 3.47Å; F605-Y609 PolarHBondContact O-N 3.2Å; F606-Y609 PolarHBondContact O-N 3.21Å; Y609-N612 PolarHBondContact O-N 3.49Å; Y609-G613 PolarHBondContact O-N 3.39Å
610	H	43.5	Very low	42.8	Very low	135 Å²	135	95.7 Å²	95.7	63%	0.625	50%	0.495	S	S	*	.	H	α-helix	trans	-65.6	-40.3	174.6	-121.6	-71.6	0	0	0	112.3	F606 T607 G613 M614	F606-H610 WeakPolarHBondContact O-CB 3.38Å; F606-H610 PolarHBondContact O-N 3.18Å; T607-H610 PolarHBondContact O-N 3.02Å; H610-G613 PolarHBondContact O-N 2.98Å; H610-M614 PolarHBondContact O-N 3.13Å
611	K	48.1	Very low	41.1	Very low	133 Å²	133	97 Å²	97	58%	0.578	51%	0.507	S	S	*	.	H	α-helix	trans	-63	-43.5	174.2	-80.5	-179.5	178.6	176.5	0	111.7	T607 N608 M614 Q615	T607-K611 WeakPolarHBondContact O-CB 3.36Å; T607-K611 WeakPolarHBondContact O-CG 3.29Å; T607-K611 PolarHBondContact O-N 3.42Å; N608-K611 PolarHBondContact O-N 3.12Å; K611-M614 PolarHBondContact O-N 3Å; K611-Q615 PolarHBondContact O-N 2.74Å; K611-Q615 VanDerWaalsContact O-N 3.12Å
612	N	41	Very low	39.5	Very low	84 Å²	84	102.1 Å²	102.1	45%	0.449	53%	0.533	S	S	.	.	H	α-helix	trans	-69.4	-36.7	177	-70	-15.7	0	0	0	111.4	N608 Y609 Q615 I616	N608-N612 WeakPolarHBondContact O-CB 3.45Å; N608-N612 VanDerWaalsContact O-CG 3.28Å; N608-N612 PolarHBondContact O-N 2.99Å; N608-N612 PolarHBondContact O-ND2 3.37Å; Y609-N612 PolarHBondContact O-N 3.49Å; N612-Q615 PolarHBondContact O-N 3.42Å; N612-I616 WeakPolarHBondContact O-CG1 3.34Å; N612-I616 PolarHBondContact O-N 3.01Å; N612-I616 VanDerWaalsContact O-N 3.13Å
613	G	37.2	Very low	38	Very low	34 Å²	34	107.1 Å²	107.1	35%	0.351	57%	0.569	S	S	.	*	H	α-helix	trans	-63.2	-37.7	173.2	0	0	0	0	0	113.6	Y609 H610 I616 S617	Y609-G613 PolarHBondContact O-N 3.39Å; H610-G613 PolarHBondContact O-N 2.98Å; G613-I616 WeakPolarHBondContact O-CB 3.24Å; G613-I616 PolarHBondContact O-N 3.18Å; G613-S617 PolarHBondContact O-N 2.9Å
614	M	28.4	Very low	36.5	Very low	120 Å²	120	110.1 Å²	110.1	59%	0.591	58%	0.577	S	S	*	*	H	α-helix	trans	-73.4	-24.5	172.8	-80	-174.4	77.7	0	0	113.4	H610 K611 I616 S617 N618	H610-M614 PolarHBondContact O-N 3.13Å; K611-M614 PolarHBondContact O-N 3Å; M614-I616 VanDerWaalsContact C-N 3.3Å; M614-S617 PolarHBondContact O-N 3.24Å; M614-S617 PolarHBondContact O-OG 3.37Å; M614-N618 PolarHBondContact O-N 2.86Å
615	Q	27.6	Very low	34.8	Very low	128 Å²	128	115 Å²	115	60%	0.598	60%	0.599	S	S	*	*	H	α-helix	trans	-75.4	-22	169.5	-69.3	-150.9	12.2	0	0	112.7	K611 N612 S617 N619	K611-Q615 PolarHBondContact O-N 2.74Å; K611-Q615 VanDerWaalsContact O-N 3.12Å; N612-Q615 PolarHBondContact O-N 3.42Å; Q615-S617 VanDerWaalsContact C-N 3.34Å; Q615-N619 PolarHBondContact O-ND2 3.42Å
616	I	29.9	Very low	33.4	Very low	134 Å²	134	119.2 Å²	119.2	69%	0.687	63%	0.629	S	S	*	*	H	α-helix	trans	-72.3	-30	172.3	-64.9	166	0	0	0	110.8	N612 G613 M614	N612-I616 WeakPolarHBondContact O-CG1 3.34Å; N612-I616 PolarHBondContact O-N 3.01Å; N612-I616 VanDerWaalsContact O-N 3.13Å; G613-I616 WeakPolarHBondContact O-CB 3.24Å; G613-I616 PolarHBondContact O-N 3.18Å; M614-I616 VanDerWaalsContact C-N 3.3Å
617	S	29.1	Very low	32.2	Very low	74 Å²	74	121.4 Å²	121.4	52%	0.517	65%	0.646	S	S	.	*	H	α-helix	trans	-80.3	-19.1	176.4	58.1	0	0	0	0	114.7	G613 M614 Q615	G613-S617 PolarHBondContact O-N 2.9Å; M614-S617 PolarHBondContact O-N 3.24Å; M614-S617 PolarHBondContact O-OG 3.37Å; Q615-S617 VanDerWaalsContact C-N 3.34Å
618	N	27.8	Very low	30.6	Very low	122 Å²	122	123 Å²	123	65%	0.652	66%	0.66	S	S	*	*	S	Bend	trans	-100.2	-0.1	-179.2	-76.2	1.7	0	0	0	114.7	M614	M614-N618 PolarHBondContact O-N 2.86Å
619	N	25	Very low	29.3	Very low	129 Å²	129	124.4 Å²	124.4	69%	0.69	67%	0.671	S	S	*	*	S	Bend	trans	-106.8	18.9	-177.3	-83	-19.4	0	0	0	114.7	Q615	Q615-N619 PolarHBondContact O-ND2 3.42Å
620	S	27.4	Very low	28.1	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	68%	0.684	S	S	*	*	S	Bend	trans	-95.8	5.1	169.4	61.7	0	0	0	0	114.6
621	E	25.7	Very low	27.2	Very low	164 Å²	164	125.5 Å²	125.5	77%	0.766	69%	0.69	S	S	*	*	S	Bend	trans	-128.7	139.4	168.3	-70.3	-172.2	162.2	0	0	109.9
622	I	23.3	Very low	25.8	Very low	160 Å²	160	127.8 Å²	127.8	82%	0.821	70%	0.7	S	S	*	*			trans	88.1	66.3	-178.4	-42.3	166.8	0	0	0	114.7
623	S	23.2	Very low	24.8	Very low	120 Å²	120	133.6 Å²	133.6	84%	0.839	72%	0.722	S	S	*	*			trans	-106.1	58.1	149.1	68.1	0	0	0	0	110.4
624	K	24.2	Very low	24.1	Very low	182 Å²	182	138.5 Å²	138.5	79%	0.791	74%	0.744	S	S	*	*			trans	-148.1	76.3	165.3	-72.6	-169.4	-176.8	174	0	109.9
625	N	21.7	Very low	23.6	Very low	154 Å²	154	138.6 Å²	138.6	82%	0.824	75%	0.752	S	S	*	*			trans	177.2	117.9	130.8	-91.4	-16	0	0	0	110.1	N627	N625-N627 PolarHBondContact O-N 3.4Å
626	T	23	Very low	23.4	Very low	139 Å²	139	140 Å²	140	85%	0.853	76%	0.763	S	S	*	*			trans	-57.9	113.4	169.7	44.8	0	0	0	0	110.5
627	N	21.4	Very low	22.9	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	76%	0.763	S	S	*	*			trans	-89.3	112.4	160.2	-93.7	-16.5	0	0	0	109.5	N625 V629	N625-N627 PolarHBondContact O-N 3.4Å; N627-V629 PolarHBondContact O-N 3.49Å
628	S	20.1	Very low	22.5	Very low	100 Å²	100	145 Å²	145	70%	0.699	78%	0.781	S	S	*	*			trans	-54	119.6	147.7	169.4	0	0	0	0	109.5
629	V	23.5	Very low	22.4	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.685	79%	0.793	S	S	*	*			trans	-140.6	92.8	148.9	-179.7	0	0	0	0	107.2	N627 N631	N627-V629 PolarHBondContact O-N 3.49Å; V629-N631 PolarHBondContact O-N 2.87Å
630	D	19.8	Very low	22.1	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	80%	0.798	S	S	*	*			trans	-57.1	117.5	153.1	-79.6	-48.3	0	0	0	109.3
631	N	23.1	Very low	21.9	Very low	138 Å²	138	147.3 Å²	147.3	74%	0.738	80%	0.795	S	S	*	*			trans	-112.1	91.2	159	-106.5	-19.6	0	0	0	108.7	V629	V629-N631 PolarHBondContact O-N 2.87Å
632	K	20.2	Very low	21.7	Very low	181 Å²	181	147.9 Å²	147.9	79%	0.787	80%	0.795	S	S	*	*			trans	30.1	103.2	130.9	-67.2	176.4	177.8	173.2	0	115.3
633	F	19.8	Very low	21.6	Very low	207 Å²	207	147.9 Å²	147.9	91%	0.908	80%	0.796	S	S	*	*			trans	-147.8	132.1	131.5	-105.2	-78.1	0	0	0	110.9
634	V	22.5	Very low	21.4	Very low	136 Å²	136	148.4 Å²	148.4	82%	0.824	79%	0.789	S	S	*	*			trans	89.3	123.5	166.9	-163.5	0	0	0	0	117.8
635	T	18.4	Very low	21.2	Very low	122 Å²	122	149 Å²	149	75%	0.748	79%	0.787	S	S	*	*			trans	-62.6	133.8	-178.8	49	0	0	0	0	114.8
636	N	21.8	Very low	21.1	Very low	158 Å²	158	148.2 Å²	148.2	85%	0.845	78%	0.778	S	S	*	*				-174.6	144	117	-120.2	-13.4	0	0	0	111.6
637	P	19.8	Very low	21	Very low	103 Å²	103	147.3 Å²	147.3	67%	0.669	77%	0.768	S	S	*	*			trans	-90.7	155.9	-174	35.4	-30.6	0	0	0	113.1
638	K	21	Very low	20.9	Very low	209 Å²	209	147.1 Å²	147.1	91%	0.909	76%	0.762	S	S	*	*			trans	96.7	96.7	167.6	-56.8	176.7	178.4	177.7	0	116.3
639	A	25.5	Very low	20.9	Very low	108 Å²	108	150.3 Å²	150.3	89%	0.893	77%	0.765	S	S	*	*				-173.1	138.9	120.4	0	0	0	0	0	110
640	N	19.1	Very low	20.6	Very low	149 Å²	149	153.4 Å²	153.4	80%	0.797	77%	0.772	S	S	*	*			trans	-94.8	159.9	-171.3	-108.2	-26.8	0	0	0	111
641	Q	22.5	Very low	20.7	Very low	152 Å²	152	150.2 Å²	150.2	71%	0.71	77%	0.774	S	S	*	*			trans	90.3	114.8	147.2	-73.5	168.5	25.7	0	0	122.1
642	K	21.3	Very low	20.5	Very low	176 Å²	176	151.1 Å²	151.1	77%	0.765	78%	0.778	S	S	*	*				66.5	123.3	122.3	-65.7	177.9	171.1	-180	0	121.3
643	L	22.4	Very low	20.6	Very low	161 Å²	161	150.6 Å²	150.6	84%	0.843	78%	0.782	S	S	*	*				157.8	117.4	119.6	-106.1	95.6	0	0	0	107.9
644	N	19	Very low	20.5	Very low	130 Å²	130	145.7 Å²	145.7	70%	0.695	77%	0.772	S	S	*	*				70	115.6	71.4	-95.2	-3.5	0	0	0	118
645	R	18.6	Very low	20.4	Very low	195 Å²	195	144.4 Å²	144.4	74%	0.736	77%	0.768	S	S	*	*				86.6	145.6	126	-74.7	-179.1	172.7	-160.8	2	123.9
646	H	20.4	Very low	20.4	Very low	137 Å²	137	143.9 Å²	143.9	63%	0.634	77%	0.765	S	S	*	*			trans	76.7	148.3	151.2	-67.1	-51.2	0	0	0	118
647	D	21.2	Very low	20.3	Very low	120 Å²	120	142.7 Å²	142.7	64%	0.642	76%	0.764	S	S	*	*			cis	-169.9	170.1	-2.5	-102.2	-18.3	0	0	0	110.7
648	H	19.3	Very low	20.4	Very low	151 Å²	151	141.6 Å²	141.6	70%	0.699	76%	0.763	S	S	*	*			trans	-15.1	148.9	159.7	-59.7	-71	0	0	0	122.9
649	H	20.5	Very low	20.4	Very low	166 Å²	166	138.4 Å²	138.4	77%	0.769	76%	0.757	S	S	*	*				168.7	158.5	98	-103.6	-64.1	0	0	0	115.3
650	E	17.5	Very low	20.2	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	75%	0.749	S	S	*	*			trans	-72.1	174.5	179	-59.6	148.1	129.4	0	0	115.4
651	G	20.5	Very low	20.4	Very low	78 Å²	78	139.2 Å²	139.2	80%	0.804	75%	0.746	S	S	*	*			trans	161	112.3	151.6	0	0	0	0	0	117
652	D	19.7	Very low	20.4	Very low	157 Å²	157	136.4 Å²	136.4	84%	0.84	74%	0.743	S	S	*	*			trans	-59.3	169.6	168.3	-67.8	-54.1	0	0	0	115.6
653	I	22.1	Very low	20.4	Very low	169 Å²	169	134.5 Å²	134.5	87%	0.867	74%	0.741	S	S	*	*				162.7	142.9	119.9	-80.3	158.9	0	0	0	113.7
654	C	17.7	Very low	20.4	Very low	104 Å²	104	134 Å²	134	70%	0.703	73%	0.734	S	S	*	*			trans	-79	167.2	175.9	-174.7	0	0	0	0	114.4
655	C	19.9	Very low	20.6	Very low	109 Å²	109	133.8 Å²	133.8	74%	0.736	73%	0.733	S	S	*	*			trans	153.9	117.9	132.5	-80.9	0	0	0	0	116
656	T	19.2	Very low	20.9	Very low	112 Å²	112	132.2 Å²	132.2	69%	0.687	74%	0.739	S	S	*	*				29.2	131.9	126.8	56.7	0	0	0	0	126.2
657	T	20.1	Very low	20.9	Very low	132 Å²	132	130 Å²	130	81%	0.81	75%	0.745	S	S	*	*				73.6	139	127	59.9	0	0	0	0	125.6
658	A	20.8	Very low	21	Very low	80 Å²	80	131 Å²	131	66%	0.661	76%	0.755	S	S	*	*			trans	110	122.3	131.9	0	0	0	0	0	121.3
659	D	21.1	Very low	21.1	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	76%	0.759	S	S	*	*				77.5	130.3	129.2	-55.1	-13.2	0	0	0	126
660	D	22	Very low	21.2	Very low	137 Å²	137	128 Å²	128	73%	0.733	75%	0.749	S	S	*	*				83	137.1	129.6	-69.6	-12.4	0	0	0	127
661	D	23.3	Very low	21.4	Very low	136 Å²	136	127.3 Å²	127.3	73%	0.727	74%	0.744	S	S	*	*			trans	87.6	108.3	139	-74	-16.1	0	0	0	125.4
662	S	21.9	Very low	21.5	Very low	93 Å²	93	130.6 Å²	130.6	65%	0.65	74%	0.743	S	S	*	*				65.2	135.1	116	86.2	0	0	0	0	125.2
663	N	21.9	Very low	21.7	Very low	137 Å²	137	129 Å²	129	73%	0.733	74%	0.738	S	S	*	*			trans	89.2	127	136.9	-74.6	-15.8	0	0	0	125.4
664	H	22.4	Very low	21.7	Very low	149 Å²	149	129.8 Å²	129.8	69%	0.69	74%	0.736	S	S	*	*			trans	74	121.7	136.4	-82.3	-66.2	0	0	0	124.7
665	D	21.6	Very low	21.9	Very low	126 Å²	126	130.8 Å²	130.8	67%	0.674	74%	0.739	S	S	*	*				72.1	143.1	128.6	-63.9	-8.5	0	0	0	125.5
666	D	25.5	Very low	22	Very low	163 Å²	163	134.8 Å²	134.8	87%	0.872	74%	0.744	S	S	*	*			trans	96.8	127.3	151.8	-66.9	-24.6	0	0	0	122.2
667	A	21.7	Very low	22.2	Very low	91 Å²	91	136.3 Å²	136.3	75%	0.752	75%	0.747	S	S	*	*			trans	-81.4	150	178	0	0	0	0	0	112.1
668	V	23.4	Very low	22.4	Very low	141 Å²	141	135.5 Å²	135.5	86%	0.855	75%	0.747	S	S	*	*				173.8	125.2	129.7	156.3	0	0	0	0	110.4
669	N	20.3	Very low	22.4	Very low	146 Å²	146	138 Å²	138	78%	0.781	76%	0.755	S	S	*	*			trans	-0.1	151.9	151.1	-128.3	1.3	0	0	0	123.6
670	D	22.4	Very low	22.6	Very low	106 Å²	106	135.2 Å²	135.2	57%	0.567	75%	0.746	S	S	*	*			trans	98.5	110.5	144.8	-108	9.1	0	0	0	121.4
671	K	22.3	Very low	22.6	Very low	165 Å²	165	139.4 Å²	139.4	72%	0.717	75%	0.753	S	S	*	*			trans	73.6	129.5	139.2	-68.9	169	-175.5	137.1	0	121.8
672	N	23.2	Very low	22.7	Very low	147 Å²	147	142 Å²	142	79%	0.786	76%	0.759	S	S	*	*			trans	91.3	106.1	153.5	-72.1	-16.9	0	0	0	120.2
673	V	22.6	Very low	22.9	Very low	122 Å²	122	145.7 Å²	145.7	74%	0.739	76%	0.763	S	S	*	*				54.5	96.8	125.7	-174.3	0	0	0	0	116.9
674	K	23.4	Very low	23	Very low	186 Å²	186	148.7 Å²	148.7	81%	0.809	77%	0.769	S	S	*	*				175.5	119	122.4	-98.1	162	-174.4	179	0	111.2	K676	K674-K676 PolarHBondContact O-N 3.22Å
675	T	21	Very low	23.1	Very low	125 Å²	125	151.2 Å²	151.2	77%	0.767	77%	0.774	S	S	*	*			trans	12	105.7	137.4	49.6	0	0	0	0	117
676	K	22.8	Very low	23.4	Very low	194 Å²	194	150.6 Å²	150.6	84%	0.843	78%	0.777	S	S	*	*			trans	175.9	134.6	131.4	-97	167.1	-176.7	-174.5	0	111.9	K674	K674-K676 PolarHBondContact O-N 3.22Å
677	N	23.2	Very low	23.5	Very low	143 Å²	143	147 Å²	147	77%	0.765	77%	0.765	S	S	*	*			trans	69.4	82.5	154.4	-59.5	-2.2	0	0	0	119.1
678	S	23.3	Very low	23.9	Very low	116 Å²	116	149.2 Å²	149.2	81%	0.811	77%	0.769	S	S	*	*			trans	-81	103.9	140.9	48.3	0	0	0	0	108.9	S680	S678-S680 VanDerWaalsContact C-N 3.26Å; S678-S680 PolarHBondContact O-N 3.44Å
679	T	22.3	Very low	24.2	Very low	133 Å²	133	147.4 Å²	147.4	82%	0.816	76%	0.758	S	S	*	*			trans	-63.7	86.9	162.4	1.1	0	0	0	0	108.1
680	S	25.2	Very low	24.8	Very low	84 Å²	84	147.8 Å²	147.8	59%	0.587	76%	0.76	S	S	*	*			trans	-84.2	116.7	161.9	74.8	0	0	0	0	107.9	S678 F682	S678-S680 VanDerWaalsContact C-N 3.26Å; S678-S680 PolarHBondContact O-N 3.44Å; S680-F682 VanDerWaalsContact C-N 3.32Å; S680-F682 PolarHBondContact O-N 3.32Å
681	Y	21.8	Very low	25.3	Very low	225 Å²	225	148.1 Å²	148.1	88%	0.882	76%	0.762	S	S	*	*			trans	-43.6	86.9	167.3	-72.2	-99.3	0	0	0	112.5
682	F	25	Very low	26	Very low	191 Å²	191	146.8 Å²	146.8	84%	0.838	76%	0.762	S	S	*	*			trans	-100.3	92.4	154.3	-93.5	-83.3	0	0	0	106.8	S680 K684	S680-F682 VanDerWaalsContact C-N 3.32Å; S680-F682 PolarHBondContact O-N 3.32Å; F682-K684 PolarHBondContact O-N 2.86Å; F682-K684 VanDerWaalsContact O-N 3.09Å
683	K	25.3	Very low	26.7	Very low	170 Å²	170	148.1 Å²	148.1	74%	0.739	76%	0.763	S	S	*	*			trans	-47.1	118.3	161.5	-94.7	177.1	172.1	176.4	0	107.4	Y685	K683-Y685 PolarHBondContact O-N 2.79Å
684	K	23.6	Very low	28.1	Very low	199 Å²	199	148.5 Å²	148.5	87%	0.865	75%	0.751	S	S	*	*			trans	-49.8	111.4	155.2	-77.4	177.1	174.7	178.4	0	106.4	F682 P686	F682-K684 PolarHBondContact O-N 2.86Å; F682-K684 VanDerWaalsContact O-N 3.09Å; K684-P686 WeakPolarHBondContact O-CD 3.48Å
685	Y	24.6	Very low	29.8	Very low	202 Å²	202	143.3 Å²	143.3	79%	0.792	74%	0.735	S	S	*	*			trans	-85.8	110.3	157.3	-84.1	-88.8	0	0	0	106.6	K683	K683-Y685 PolarHBondContact O-N 2.79Å
686	P	28.5	Very low	31.1	Very low	114 Å²	114	142 Å²	142	74%	0.74	73%	0.731	S	S	*	*			trans	-88.5	112.6	155.4	32.6	-24.8	0	0	0	107.5	K684	K684-P686 WeakPolarHBondContact O-CD 3.48Å
687	S	27.1	Very low	32.5	Very low	87 Å²	87	142 Å²	142	61%	0.608	73%	0.726	S	S	*	*			trans	178.2	96.5	150.1	25	0	0	0	0	109.3	T689	S687-T689 PolarHBondContact O-N 2.88Å; S687-T689 VanDerWaalsContact O-N 3.09Å
688	T	29.7	Very low	33.9	Very low	137 Å²	137	139.7 Å²	139.7	84%	0.84	71%	0.71	S	S	*	*				25	76.6	129.8	56.6	0	0	0	0	116.7
689	T	30.7	Very low	35.2	Very low	103 Å²	103	137.7 Å²	137.7	63%	0.632	69%	0.689	S	S	*	*			trans	-107.6	118.3	138.5	51.9	0	0	0	0	105.9	S687 D691	S687-T689 PolarHBondContact O-N 2.88Å; S687-T689 VanDerWaalsContact O-N 3.09Å; T689-D691 PolarHBondContact O-N 2.88Å; T689-D691 PolarHBondContact OG1-OD2 2.83Å
690	N	33.8	Very low	36.6	Very low	154 Å²	154	134.7 Å²	134.7	82%	0.824	67%	0.674	S	S	*	*			trans	-71.9	62.4	171.7	-84.1	-14.9	0	0	0	108.8	I692	N690-I692 VanDerWaalsContact C-N 3.33Å; N690-I692 PolarHBondContact O-N 2.82Å
691	D	32.2	Very low	37.8	Very low	114 Å²	114	133.5 Å²	133.5	61%	0.61	67%	0.669	S	S	*	*			trans	-70.1	98.8	166.6	-69.8	-45	0	0	0	106.1	T689 H693	T689-D691 PolarHBondContact O-N 2.88Å; T689-D691 PolarHBondContact OG1-OD2 2.83Å; D691-H693 VanDerWaalsContact C-N 3.32Å; D691-H693 PolarHBondContact O-N 2.72Å
692	I	36.5	Very low	39.5	Very low	137 Å²	137	128 Å²	128	70%	0.703	65%	0.647	S	S	*	*			trans	-61	96.7	178.2	-58.8	171.4	0	0	0	106.9	N690 W694	N690-I692 VanDerWaalsContact C-N 3.33Å; N690-I692 PolarHBondContact O-N 2.82Å; I692-W694 PolarHBondContact O-N 3.46Å
693	H	39.1	Very low	41.2	Very low	174 Å²	174	125.6 Å²	125.6	81%	0.806	63%	0.634	S	S	*	*			trans	-76.9	104.8	172.2	-93.8	-75	0	0	0	108.9	D691	D691-H693 VanDerWaalsContact C-N 3.32Å; D691-H693 PolarHBondContact O-N 2.72Å
694	W	50.5	Low	42.9	Very low	131 Å²	131	122.2 Å²	122.2	50%	0.496	62%	0.62	S	S	.	*			trans	-69.5	130.5	170.7	-69.6	55.2	0	0	0	109.1	I692 Q698 I699 W702	I692-W694 PolarHBondContact O-N 3.46Å; W694-Q698 HydrophobicContact CB-CB 4.29Å; W694-Q698 HydrophobicContact CD2-CB 4.33Å; W694-Q698 HydrophobicContact CE3-CB 3.64Å; W694-Q698 HydrophobicContact CZ3-CB 4.32Å; W694-I699 HydrophobicContact CB-CD1 4.28Å; W694-I699 HydrophobicContact CB-CG1 3.76Å; W694-W702 AromaticContact CH2-CD1 3.92Å; W694-W702 HydrophobicContact CH2-CG 4.46Å; W694-W702 HydrophobicContact CZ3-CB 3.87Å; W694-W702 AromaticContact CZ3-CD1 3.88Å; W694-W702 HydrophobicContact CZ3-CG 4.01Å
695	T	59.2	Low	44.9	Very low	76 Å²	76	119.4 Å²	119.4	47%	0.466	61%	0.605	S	S	.	*			trans	-67	153.6	170	62.1	0	0	0	0	110.1	R697 Q698 I699	T695-R697 PolarHBondContact O-N 3.28Å; T695-Q698 PolarHBondContact O-N 2.82Å; T695-Q698 WeakPolarHBondContact OG1-CG 3.26Å; T695-Q698 PolarHBondContact OG1-N 3.26Å; T695-Q698 PolarHBondContact OG1-OE1 2.74Å; T695-Q698 VanDerWaalsContact OG1-OE1 3.13Å; T695-I699 PolarHBondContact O-N 3Å
696	S	49.2	Very low	46.4	Very low	97 Å²	97	111.6 Å²	111.6	68%	0.678	58%	0.576	S	S	*	*	H	α-helix	trans	-53.8	-27.9	173.9	-54.3	0	0	0	0	112.9	S700	S696-S700 WeakPolarHBondContact O-CB 3.34Å; S696-S700 PolarHBondContact O-N 3.28Å; S696-S700 PolarHBondContact O-OG 3.29Å
697	R	51.4	Low	48.3	Very low	196 Å²	196	111.2 Å²	111.2	74%	0.74	56%	0.563	S	S	*	*	H	α-helix	trans	-68.2	-44.6	173.6	-169.9	178.4	-176.1	-177.5	1.5	112.5	T695 S700 A701	T695-R697 PolarHBondContact O-N 3.28Å; R697-S700 PolarHBondContact O-N 3.49Å; R697-A701 WeakPolarHBondContact O-CB 3.3Å; R697-A701 PolarHBondContact O-N 3.48Å
698	Q	53.5	Low	50	Low	94 Å²	94	112.5 Å²	112.5	44%	0.439	56%	0.562	S	S	.	*	H	α-helix	trans	-66.8	-40.5	175.9	-73.8	166.2	-50.7	0	0	111.3	W694 T695 S700 A701 W702	W694-Q698 HydrophobicContact CB-CB 4.29Å; W694-Q698 HydrophobicContact CD2-CB 4.33Å; W694-Q698 HydrophobicContact CE3-CB 3.64Å; W694-Q698 HydrophobicContact CZ3-CB 4.32Å; T695-Q698 PolarHBondContact O-N 2.82Å; T695-Q698 WeakPolarHBondContact OG1-CG 3.26Å; T695-Q698 PolarHBondContact OG1-N 3.26Å; T695-Q698 PolarHBondContact OG1-OE1 2.74Å; T695-Q698 VanDerWaalsContact OG1-OE1 3.13Å; Q698-S700 VanDerWaalsContact C-N 3.34Å; Q698-S700 PolarHBondContact O-N 2.88Å; Q698-A701 PolarHBondContact O-N 2.95Å; Q698-W702 VanDerWaalsContact O-CB 3.24Å; Q698-W702 WeakPolarHBondContact O-CB 3.37Å; Q698-W702 PolarHBondContact O-N 3.33Å
699	I	50.2	Low	51.4	Low	73 Å²	73	107.6 Å²	107.6	37%	0.374	53%	0.532	S	S	.	.	H	α-helix	trans	-60.6	-45.9	175	-63	171.8	0	0	0	110.1	W694 T695 W702 Y703	W694-I699 HydrophobicContact CB-CD1 4.28Å; W694-I699 HydrophobicContact CB-CG1 3.76Å; T695-I699 PolarHBondContact O-N 3Å; I699-W702 WeakPolarHBondContact O-CB 3.28Å; I699-W702 PolarHBondContact O-N 2.91Å; I699-Y703 HydrophobicContact CG2-CD2 3.85Å; I699-Y703 HydrophobicContact CG2-CE2 3.8Å; I699-Y703 VanDerWaalsContact O-CD2 3.28Å; I699-Y703 WeakPolarHBondContact O-CD2 3.44Å; I699-Y703 PolarHBondContact O-N 3.01Å
700	S	51.7	Low	52.9	Low	70 Å²	70	107.6 Å²	107.6	49%	0.49	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-43.7	179.2	-55.6	0	0	0	0	112.3	S696 R697 Q698 W702 Y703 E704	S696-S700 WeakPolarHBondContact O-CB 3.34Å; S696-S700 PolarHBondContact O-N 3.28Å; S696-S700 PolarHBondContact O-OG 3.29Å; R697-S700 PolarHBondContact O-N 3.49Å; Q698-S700 VanDerWaalsContact C-N 3.34Å; Q698-S700 PolarHBondContact O-N 2.88Å; S700-W702 VanDerWaalsContact C-N 3.28Å; S700-W702 PolarHBondContact O-N 3.46Å; S700-Y703 PolarHBondContact O-N 3.25Å; S700-E704 PolarHBondContact O-N 3.14Å
701	A	50.1	Low	54.7	Low	60 Å²	60	106 Å²	106	50%	0.496	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-36.6	176.1	0	0	0	0	0	112.1	R697 Q698 E704 Y705	R697-A701 WeakPolarHBondContact O-CB 3.3Å; R697-A701 PolarHBondContact O-N 3.48Å; Q698-A701 PolarHBondContact O-N 2.95Å; A701-E704 PolarHBondContact O-N 2.92Å; A701-Y705 VanDerWaalsContact O-CB 3.32Å; A701-Y705 WeakPolarHBondContact O-CB 3.25Å; A701-Y705 PolarHBondContact O-N 3.49Å
702	W	57.3	Low	55.9	Low	108 Å²	108	103.2 Å²	103.2	41%	0.409	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-45.1	174	-176.1	83.3	0	0	0	111.9	W694 Q698 I699 S700 Y705 H706	W694-W702 AromaticContact CH2-CD1 3.92Å; W694-W702 HydrophobicContact CH2-CG 4.46Å; W694-W702 HydrophobicContact CZ3-CB 3.87Å; W694-W702 AromaticContact CZ3-CD1 3.88Å; W694-W702 HydrophobicContact CZ3-CG 4.01Å; Q698-W702 VanDerWaalsContact O-CB 3.24Å; Q698-W702 WeakPolarHBondContact O-CB 3.37Å; Q698-W702 PolarHBondContact O-N 3.33Å; I699-W702 WeakPolarHBondContact O-CB 3.28Å; I699-W702 PolarHBondContact O-N 2.91Å; S700-W702 VanDerWaalsContact C-N 3.28Å; S700-W702 PolarHBondContact O-N 3.46Å; W702-Y705 PolarHBondContact O-N 3.04Å; W702-H706 AromaticContact CD1-CD2 3.91Å; W702-H706 AromaticContact CD2-CD2 3.63Å; W702-H706 AromaticContact CE2-CD2 3.25Å; W702-H706 AromaticContact CE2-NE2 3.3Å; W702-H706 VanDerWaalsContact CE2-NE2 3.3Å; W702-H706 AromaticContact CZ2-CD2 3.49Å; W702-H706 VanDerWaalsContact CZ2-CD2 3.49Å; W702-H706 WeakPolarHBondContact CZ2-CD2 3.18Å; W702-H706 AromaticContact CZ2-NE2 3.37Å; W702-H706 WeakPolarHBondContact CZ2-NE2 3.41Å; W702-H706 AromaticContact NE1-CD2 3.43Å; W702-H706 PolarHBondContact NE1-CD2 2.94Å; W702-H706 AromaticContact NE1-NE2 3.22Å; W702-H706 PolarHBondContact NE1-NE2 3.24Å; W702-H706 WeakPolarHBondContact O-CB 3.34Å; W702-H706 PolarHBondContact O-CD2 3.46Å; W702-H706 VanDerWaalsContact O-CD2 3.29Å; W702-H706 PolarHBondContact O-N 2.98Å
703	Y	60	Low	57.1	Low	142 Å²	142	99.5 Å²	99.5	56%	0.557	49%	0.486	S	S	*	.	H	α-helix	trans	-62	-43.2	174.9	-89.2	-73	0	0	0	112.7	I699 S700 H706 K707	I699-Y703 HydrophobicContact CG2-CD2 3.85Å; I699-Y703 HydrophobicContact CG2-CE2 3.8Å; I699-Y703 VanDerWaalsContact O-CD2 3.28Å; I699-Y703 WeakPolarHBondContact O-CD2 3.44Å; I699-Y703 PolarHBondContact O-N 3.01Å; S700-Y703 PolarHBondContact O-N 3.25Å; Y703-H706 PolarHBondContact O-N 3.44Å; Y703-K707 PolarHBondContact O-N 2.83Å
704	E	61.1	Low	58.8	Low	99 Å²	99	97.7 Å²	97.7	46%	0.463	47%	0.473	S	S	.	.	H	α-helix	trans	-68.8	-38.8	178.7	-72.2	-56.2	134.2	0	0	112.5	S700 A701 H706 K707 L708	S700-E704 PolarHBondContact O-N 3.14Å; A701-E704 PolarHBondContact O-N 2.92Å; E704-H706 VanDerWaalsContact C-N 3.33Å; E704-H706 PolarHBondContact O-N 3.36Å; E704-K707 PolarHBondContact O-N 3Å; E704-K707 IonicContact OE1-NZ 3.32Å; E704-K707 PolarHBondContact OE1-NZ 2.8Å; E704-L708 PolarHBondContact O-N 3.23Å; E704-L708 VanDerWaalsContact O-N 3.09Å
705	Y	65.5	Low	59.4	Low	139 Å²	139	97.2 Å²	97.2	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-59.6	-44.9	171.3	174.8	-99.8	0	0	0	111.4	A701 W702 L708 V709	A701-Y705 VanDerWaalsContact O-CB 3.32Å; A701-Y705 WeakPolarHBondContact O-CB 3.25Å; A701-Y705 PolarHBondContact O-N 3.49Å; W702-Y705 PolarHBondContact O-N 3.04Å; Y705-L708 WeakPolarHBondContact O-CB 3.47Å; Y705-L708 PolarHBondContact O-N 3.26Å; Y705-V709 HydrophobicContact CD1-CG2 4.21Å; Y705-V709 HydrophobicContact CE1-CG2 3.74Å; Y705-V709 HydrophobicContact CE2-CG2 4.15Å; Y705-V709 WeakPolarHBondContact O-CG2 3.15Å; Y705-V709 PolarHBondContact O-N 3.14Å
706	H	57.9	Low	59.9	Low	39 Å²	39	98.1 Å²	98.1	18%	0.181	47%	0.47	C	S	.	.	H	α-helix	trans	-66.3	-38.3	179.3	-90.3	-74.5	0	0	0	113.1	W702 Y703 E704 L708 V709 D710	W702-H706 AromaticContact CD1-CD2 3.91Å; W702-H706 AromaticContact CD2-CD2 3.63Å; W702-H706 AromaticContact CE2-CD2 3.25Å; W702-H706 AromaticContact CE2-NE2 3.3Å; W702-H706 VanDerWaalsContact CE2-NE2 3.3Å; W702-H706 AromaticContact CZ2-CD2 3.49Å; W702-H706 VanDerWaalsContact CZ2-CD2 3.49Å; W702-H706 WeakPolarHBondContact CZ2-CD2 3.18Å; W702-H706 AromaticContact CZ2-NE2 3.37Å; W702-H706 WeakPolarHBondContact CZ2-NE2 3.41Å; W702-H706 AromaticContact NE1-CD2 3.43Å; W702-H706 PolarHBondContact NE1-CD2 2.94Å; W702-H706 AromaticContact NE1-NE2 3.22Å; W702-H706 PolarHBondContact NE1-NE2 3.24Å; W702-H706 WeakPolarHBondContact O-CB 3.34Å; W702-H706 PolarHBondContact O-CD2 3.46Å; W702-H706 VanDerWaalsContact O-CD2 3.29Å; W702-H706 PolarHBondContact O-N 2.98Å; Y703-H706 PolarHBondContact O-N 3.44Å; E704-H706 VanDerWaalsContact C-N 3.33Å; E704-H706 PolarHBondContact O-N 3.36Å; H706-L708 VanDerWaalsContact C-N 3.33Å; H706-L708 PolarHBondContact O-N 3.18Å; H706-V709 PolarHBondContact O-N 2.76Å; H706-D710 PolarHBondContact O-N 2.87Å
707	K	67.4	Low	61	Low	106 Å²	106	97.9 Å²	97.9	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-58.4	-45.2	171	-76.5	179.9	-174.3	166.4	0	111.9	Y703 E704 V709 D710 Y711	Y703-K707 PolarHBondContact O-N 2.83Å; E704-K707 PolarHBondContact O-N 3Å; E704-K707 IonicContact OE1-NZ 3.32Å; E704-K707 PolarHBondContact OE1-NZ 2.8Å; K707-V709 VanDerWaalsContact C-N 3.32Å; K707-V709 PolarHBondContact O-N 2.88Å; K707-D710 PolarHBondContact O-N 3.04Å; K707-Y711 WeakPolarHBondContact O-CD2 3.32Å; K707-Y711 PolarHBondContact O-N 3.19Å
708	L	62.7	Low	62.1	Low	114 Å²	114	93.4 Å²	93.4	60%	0.597	45%	0.449	S	S	*	.	H	α-helix	trans	-61.3	-40.2	177.4	-80.8	161.3	0	0	0	112.1	E704 Y705 H706 Y711 A712	E704-L708 PolarHBondContact O-N 3.23Å; E704-L708 VanDerWaalsContact O-N 3.09Å; Y705-L708 WeakPolarHBondContact O-CB 3.47Å; Y705-L708 PolarHBondContact O-N 3.26Å; H706-L708 VanDerWaalsContact C-N 3.33Å; H706-L708 PolarHBondContact O-N 3.18Å; L708-Y711 PolarHBondContact O-N 3.2Å; L708-A712 WeakPolarHBondContact O-CB 3.45Å; L708-A712 PolarHBondContact O-N 3.45Å
709	V	59.4	Low	63.4	Low	34 Å²	34	96 Å²	96	21%	0.206	46%	0.455	C	S	.	.	H	α-helix	trans	-65	-44.4	175.4	171.8	0	0	0	0	111.1	Y705 H706 K707 Y711 A712 N713	Y705-V709 HydrophobicContact CD1-CG2 4.21Å; Y705-V709 HydrophobicContact CE1-CG2 3.74Å; Y705-V709 HydrophobicContact CE2-CG2 4.15Å; Y705-V709 WeakPolarHBondContact O-CG2 3.15Å; Y705-V709 PolarHBondContact O-N 3.14Å; H706-V709 PolarHBondContact O-N 2.76Å; K707-V709 VanDerWaalsContact C-N 3.32Å; K707-V709 PolarHBondContact O-N 2.88Å; V709-Y711 VanDerWaalsContact C-N 3.34Å; V709-Y711 PolarHBondContact O-N 3.45Å; V709-A712 PolarHBondContact O-N 3.41Å; V709-N713 WeakPolarHBondContact O-CB 3.35Å; V709-N713 VanDerWaalsContact O-CG 3.31Å; V709-N713 PolarHBondContact O-N 3.29Å; V709-N713 PolarHBondContact O-ND2 2.68Å
710	D	63.4	Low	64.5	Low	103 Å²	103	98 Å²	98	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-63.4	-40.7	177.7	-70.7	-20.1	0	0	0	111.3	H706 K707 N713 Y714	H706-D710 PolarHBondContact O-N 2.87Å; K707-D710 PolarHBondContact O-N 3.04Å; D710-N713 PolarHBondContact O-N 3.41Å; D710-Y714 WeakPolarHBondContact O-CB 3.32Å; D710-Y714 PolarHBondContact O-N 3.1Å
711	Y	69.9	Low	65.7	Low	119 Å²	119	97.5 Å²	97.5	47%	0.467	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-45.9	172.8	-84.1	-62.7	0	0	0	112.4	K707 L708 V709 N713 Y714 F715	K707-Y711 WeakPolarHBondContact O-CD2 3.32Å; K707-Y711 PolarHBondContact O-N 3.19Å; L708-Y711 PolarHBondContact O-N 3.2Å; V709-Y711 VanDerWaalsContact C-N 3.34Å; V709-Y711 PolarHBondContact O-N 3.45Å; Y711-N713 VanDerWaalsContact C-N 3.3Å; Y711-N713 PolarHBondContact O-N 2.84Å; Y711-Y714 WeakPolarHBondContact O-CB 3.25Å; Y711-Y714 PolarHBondContact O-N 3.45Å; Y711-F715 WeakPolarHBondContact O-CD2 3.43Å; Y711-F715 PolarHBondContact O-N 3.42Å
712	A	57.9	Low	67	Low	57 Å²	57	97.3 Å²	97.3	47%	0.471	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-40.9	177.5	0	0	0	0	0	111.6	L708 V709 F715 Y716	L708-A712 WeakPolarHBondContact O-CB 3.45Å; L708-A712 PolarHBondContact O-N 3.45Å; V709-A712 PolarHBondContact O-N 3.41Å; A712-F715 PolarHBondContact O-N 2.84Å; A712-Y716 VanDerWaalsContact O-CB 3.3Å; A712-Y716 WeakPolarHBondContact O-CB 3.28Å; A712-Y716 PolarHBondContact O-N 3.26Å
713	N	61.8	Low	67.7	Low	59 Å²	59	96 Å²	96	32%	0.316	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-40.8	174.7	-75.8	-27.4	0	0	0	112	V709 D710 Y711 Y716 N717	V709-N713 WeakPolarHBondContact O-CB 3.35Å; V709-N713 VanDerWaalsContact O-CG 3.31Å; V709-N713 PolarHBondContact O-N 3.29Å; V709-N713 PolarHBondContact O-ND2 2.68Å; D710-N713 PolarHBondContact O-N 3.41Å; Y711-N713 VanDerWaalsContact C-N 3.3Å; Y711-N713 PolarHBondContact O-N 2.84Å; N713-Y716 PolarHBondContact O-N 3.16Å; N713-N717 WeakPolarHBondContact O-CB 3.21Å; N713-N717 PolarHBondContact O-N 3.12Å; N713-N717 PolarHBondContact O-ND2 3.21Å; N713-N717 VanDerWaalsContact O-ND2 3.08Å
714	Y	75.4	Confident	68.6	Low	135 Å²	135	94.9 Å²	94.9	53%	0.529	45%	0.451	S	S	.	.	H	α-helix	trans	-59.3	-52	173.9	175.6	-96.7	0	0	0	111.3	D710 Y711 Y716 N717 E718	D710-Y714 WeakPolarHBondContact O-CB 3.32Å; D710-Y714 PolarHBondContact O-N 3.1Å; Y711-Y714 WeakPolarHBondContact O-CB 3.25Å; Y711-Y714 PolarHBondContact O-N 3.45Å; Y714-Y716 VanDerWaalsContact C-N 3.31Å; Y714-Y716 PolarHBondContact O-N 2.89Å; Y714-N717 PolarHBondContact O-N 3.47Å; Y714-E718 HydrophobicContact CD1-CG 4.38Å; Y714-E718 HydrophobicContact CE1-CG 3.93Å; Y714-E718 HydrophobicContact CE2-CG 4.17Å; Y714-E718 WeakPolarHBondContact O-CG 3.5Å; Y714-E718 PolarHBondContact O-N 3.18Å
715	F	63.5	Low	69.5	Low	121 Å²	121	96.7 Å²	96.7	53%	0.531	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-39.3	177.3	-81.4	-68.8	0	0	0	112.8	Y711 A712 E718 W719	Y711-F715 WeakPolarHBondContact O-CD2 3.43Å; Y711-F715 PolarHBondContact O-N 3.42Å; A712-F715 PolarHBondContact O-N 2.84Å; F715-E718 PolarHBondContact O-N 2.93Å; F715-W719 VanDerWaalsContact O-CB 3.23Å; F715-W719 WeakPolarHBondContact O-CB 3.37Å; F715-W719 PolarHBondContact O-N 2.97Å
716	Y	69	Low	70.3	Confident	95 Å²	95	96.7 Å²	96.7	37%	0.373	46%	0.459	S	S	.	.	H	α-helix	trans	-63.3	-43.9	176.3	-179.7	-99	0	0	0	111.7	E261 A712 N713 Y714 W719 Y720	E261-Y716 WeakPolarHBondContact OE2-CE1 3Å; E261-Y716 VanDerWaalsContact OE2-CZ 3.24Å; E261-Y716 PolarHBondContact OE2-OH 3.5Å; A712-Y716 VanDerWaalsContact O-CB 3.3Å; A712-Y716 WeakPolarHBondContact O-CB 3.28Å; A712-Y716 PolarHBondContact O-N 3.26Å; N713-Y716 PolarHBondContact O-N 3.16Å; Y714-Y716 VanDerWaalsContact C-N 3.31Å; Y714-Y716 PolarHBondContact O-N 2.89Å; Y716-W719 HydrophobicContact CD2-CE3 4.44Å; Y716-W719 HydrophobicContact CE2-CE3 4.36Å; Y716-W719 HydrophobicContact CE2-CZ3 4.35Å; Y716-W719 PolarHBondContact O-N 3.3Å; Y716-Y720 WeakPolarHBondContact O-CB 3.47Å; Y716-Y720 PolarHBondContact O-N 2.87Å
717	N	71.3	Confident	71.3	Confident	93 Å²	93	99.3 Å²	99.3	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-66.2	-39.6	178.2	-71.3	-32.5	0	0	0	112.5	N713 Y714 S721	N713-N717 WeakPolarHBondContact O-CB 3.21Å; N713-N717 PolarHBondContact O-N 3.12Å; N713-N717 PolarHBondContact O-ND2 3.21Å; N713-N717 VanDerWaalsContact O-ND2 3.08Å; Y714-N717 PolarHBondContact O-N 3.47Å; N717-S721 VanDerWaalsContact O-CB 3.32Å; N717-S721 WeakPolarHBondContact O-CB 3.44Å; N717-S721 PolarHBondContact O-N 2.97Å; N717-S721 PolarHBondContact O-OG 3.06Å
718	E	76.2	Confident	72	Confident	101 Å²	101	100 Å²	100	47%	0.472	48%	0.479	S	S	.	.	H	α-helix	trans	-64.5	-47.2	174	-73.5	-61.8	123.5	0	0	111	Y714 F715 Y720 S721 A722	Y714-E718 HydrophobicContact CD1-CG 4.38Å; Y714-E718 HydrophobicContact CE1-CG 3.93Å; Y714-E718 HydrophobicContact CE2-CG 4.17Å; Y714-E718 WeakPolarHBondContact O-CG 3.5Å; Y714-E718 PolarHBondContact O-N 3.18Å; F715-E718 PolarHBondContact O-N 2.93Å; E718-Y720 PolarHBondContact O-N 3.49Å; E718-S721 PolarHBondContact O-N 3.24Å; E718-A722 WeakPolarHBondContact O-CB 3.26Å; E718-A722 PolarHBondContact O-N 3.35Å
719	W	80.2	Confident	72.8	Confident	150 Å²	150	97.4 Å²	97.4	57%	0.568	47%	0.474	S	S	*	.	H	α-helix	trans	-60.6	-45	176.3	178.1	81.6	0	0	0	112	F715 Y716 S721 A722 M723	F715-W719 VanDerWaalsContact O-CB 3.23Å; F715-W719 WeakPolarHBondContact O-CB 3.37Å; F715-W719 PolarHBondContact O-N 2.97Å; Y716-W719 HydrophobicContact CD2-CE3 4.44Å; Y716-W719 HydrophobicContact CE2-CE3 4.36Å; Y716-W719 HydrophobicContact CE2-CZ3 4.35Å; Y716-W719 PolarHBondContact O-N 3.3Å; W719-S721 PolarHBondContact O-N 3.43Å; W719-A722 PolarHBondContact O-N 3.14Å; W719-M723 HydrophobicContact CZ2-SD 4.44Å; W719-M723 WeakPolarHBondContact O-CB 3.46Å; W719-M723 PolarHBondContact O-N 3.49Å
720	Y	72.9	Confident	73.7	Confident	114 Å²	114	98 Å²	98	45%	0.447	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-42	177.8	-175.8	-93.9	0	0	0	111.8	Y716 E718 M723 K724	Y716-Y720 WeakPolarHBondContact O-CB 3.47Å; Y716-Y720 PolarHBondContact O-N 2.87Å; E718-Y720 PolarHBondContact O-N 3.49Å; Y720-M723 PolarHBondContact O-N 2.96Å; Y720-K724 WeakPolarHBondContact O-CB 3.44Å; Y720-K724 PolarHBondContact O-N 3.13Å
721	S	76.4	Confident	74.5	Confident	60 Å²	60	95.6 Å²	95.6	42%	0.42	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-45.2	176	-60.6	0	0	0	0	111.2	N717 E718 W719 M723 K724 E725	N717-S721 VanDerWaalsContact O-CB 3.32Å; N717-S721 WeakPolarHBondContact O-CB 3.44Å; N717-S721 PolarHBondContact O-N 2.97Å; N717-S721 PolarHBondContact O-OG 3.06Å; E718-S721 PolarHBondContact O-N 3.24Å; W719-S721 PolarHBondContact O-N 3.43Å; S721-M723 VanDerWaalsContact C-N 3.33Å; S721-M723 PolarHBondContact O-N 3.3Å; S721-K724 WeakPolarHBondContact O-CB 3.02Å; S721-K724 PolarHBondContact O-N 2.93Å; S721-E725 PolarHBondContact O-N 2.74Å
722	A	77.3	Confident	75.1	Confident	55 Å²	55	95.3 Å²	95.3	46%	0.455	48%	0.475	S	S	.	.	H	α-helix	trans	-62	-39.2	174.9	0	0	0	0	0	112.4	E718 W719 E725 Y726	E718-A722 WeakPolarHBondContact O-CB 3.26Å; E718-A722 PolarHBondContact O-N 3.35Å; W719-A722 PolarHBondContact O-N 3.14Å; A722-E725 PolarHBondContact O-N 2.93Å; A722-Y726 WeakPolarHBondContact O-CB 3.44Å; A722-Y726 PolarHBondContact O-N 2.88Å
723	M	72.5	Confident	76.2	Confident	81 Å²	81	96.7 Å²	96.7	40%	0.399	47%	0.474	S	S	.	.	H	α-helix	trans	-66.8	-38.2	177.7	-158.7	67.5	169.1	0	0	111.7	W719 Y720 S721 Y726 D727	W719-M723 HydrophobicContact CZ2-SD 4.44Å; W719-M723 WeakPolarHBondContact O-CB 3.46Å; W719-M723 PolarHBondContact O-N 3.49Å; Y720-M723 PolarHBondContact O-N 2.96Å; S721-M723 VanDerWaalsContact C-N 3.33Å; S721-M723 PolarHBondContact O-N 3.3Å; M723-Y726 WeakPolarHBondContact O-CB 3.41Å; M723-Y726 PolarHBondContact O-N 3.09Å; M723-D727 PolarHBondContact O-N 3.15Å
724	K	79.1	Confident	77	Confident	119 Å²	119	97 Å²	97	52%	0.517	48%	0.476	S	S	.	.	H	α-helix	trans	-65.2	-40.1	174.4	-171.3	178.4	-179.2	178.9	0	112.1	Y720 S721 Q728	Y720-K724 WeakPolarHBondContact O-CB 3.44Å; Y720-K724 PolarHBondContact O-N 3.13Å; S721-K724 WeakPolarHBondContact O-CB 3.02Å; S721-K724 PolarHBondContact O-N 2.93Å; K724-Q728 WeakPolarHBondContact O-CB 3.32Å; K724-Q728 VanDerWaalsContact O-CG 3.27Å; K724-Q728 WeakPolarHBondContact O-CG 3.29Å; K724-Q728 PolarHBondContact O-N 3.48Å
725	E	80.8	Confident	77.3	Confident	137 Å²	137	96.2 Å²	96.2	64%	0.64	48%	0.477	S	S	*	.	H	α-helix	trans	-65.4	-40.5	173	-72.9	-174.1	175.2	0	0	111.7	S721 A722 Q728 A729	S721-E725 PolarHBondContact O-N 2.74Å; A722-E725 PolarHBondContact O-N 2.93Å; E725-Q728 PolarHBondContact O-N 3.19Å; E725-A729 WeakPolarHBondContact O-CB 3.45Å; E725-A729 PolarHBondContact O-N 3.43Å
726	Y	81.9	Confident	78	Confident	139 Å²	139	94.6 Å²	94.6	55%	0.545	47%	0.473	S	S	.	.	H	α-helix	trans	-60.4	-47.9	174.1	176.7	-95.9	0	0	0	111.7	A722 M723 Q728 A729 V730	A722-Y726 WeakPolarHBondContact O-CB 3.44Å; A722-Y726 PolarHBondContact O-N 2.88Å; M723-Y726 WeakPolarHBondContact O-CB 3.41Å; M723-Y726 PolarHBondContact O-N 3.09Å; Y726-Q728 VanDerWaalsContact C-N 3.3Å; Y726-Q728 PolarHBondContact O-N 2.96Å; Y726-A729 WeakPolarHBondContact O-CB 3.4Å; Y726-A729 PolarHBondContact O-N 3.14Å; Y726-A729 VanDerWaalsContact O-N 3.13Å; Y726-V730 HydrophobicContact CD1-CG2 4.05Å; Y726-V730 HydrophobicContact CD2-CG2 4.43Å; Y726-V730 HydrophobicContact CE1-CG2 3.61Å; Y726-V730 HydrophobicContact CE2-CG2 4.02Å; Y726-V730 HydrophobicContact CG-CG2 4.45Å; Y726-V730 WeakPolarHBondContact O-CG2 3.41Å; Y726-V730 PolarHBondContact O-N 3.25Å
727	D	77.7	Confident	78.4	Confident	94 Å²	94	96.8 Å²	96.8	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-39.1	177.5	-78.8	-19.1	0	0	0	111.9	M723 V730 A731	M723-D727 PolarHBondContact O-N 3.15Å; D727-V730 PolarHBondContact O-N 2.93Å; D727-A731 VanDerWaalsContact O-CB 3.31Å; D727-A731 WeakPolarHBondContact O-CB 3.49Å; D727-A731 PolarHBondContact O-N 3.28Å
728	Q	83.4	Confident	78.7	Confident	120 Å²	120	101.2 Å²	101.2	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-43.7	172.7	-74.4	176.6	10	0	0	111.7	K724 E725 Y726 A731 H732	K724-Q728 WeakPolarHBondContact O-CB 3.32Å; K724-Q728 VanDerWaalsContact O-CG 3.27Å; K724-Q728 WeakPolarHBondContact O-CG 3.29Å; K724-Q728 PolarHBondContact O-N 3.48Å; E725-Q728 PolarHBondContact O-N 3.19Å; Y726-Q728 VanDerWaalsContact C-N 3.3Å; Y726-Q728 PolarHBondContact O-N 2.96Å; Q728-A731 PolarHBondContact O-N 3.47Å; Q728-H732 WeakPolarHBondContact O-CB 3.44Å; Q728-H732 PolarHBondContact O-N 3.28Å
729	A	78.7	Confident	78.7	Confident	60 Å²	60	101.8 Å²	101.8	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-41.3	176.9	0	0	0	0	0	111.8	E725 Y726 H732 L733	E725-A729 WeakPolarHBondContact O-CB 3.45Å; E725-A729 PolarHBondContact O-N 3.43Å; Y726-A729 WeakPolarHBondContact O-CB 3.4Å; Y726-A729 PolarHBondContact O-N 3.14Å; Y726-A729 VanDerWaalsContact O-N 3.13Å; A729-H732 PolarHBondContact O-N 3.38Å; A729-L733 WeakPolarHBondContact O-CB 3.44Å; A729-L733 PolarHBondContact O-N 2.87Å
730	V	79.4	Confident	77.9	Confident	45 Å²	45	101.5 Å²	101.5	27%	0.273	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-43	174.7	170.5	0	0	0	0	111	Y726 D727 H732 L733 N734	Y726-V730 HydrophobicContact CD1-CG2 4.05Å; Y726-V730 HydrophobicContact CD2-CG2 4.43Å; Y726-V730 HydrophobicContact CE1-CG2 3.61Å; Y726-V730 HydrophobicContact CE2-CG2 4.02Å; Y726-V730 HydrophobicContact CG-CG2 4.45Å; Y726-V730 WeakPolarHBondContact O-CG2 3.41Å; Y726-V730 PolarHBondContact O-N 3.25Å; D727-V730 PolarHBondContact O-N 2.93Å; V730-H732 VanDerWaalsContact C-N 3.31Å; V730-H732 PolarHBondContact O-N 3.42Å; V730-L733 PolarHBondContact O-N 2.96Å; V730-N734 WeakPolarHBondContact O-CB 3.4Å; V730-N734 VanDerWaalsContact O-CG 3.28Å; V730-N734 PolarHBondContact O-N 2.92Å; V730-N734 PolarHBondContact O-ND2 3.21Å
731	A	80.4	Confident	77.1	Confident	54 Å²	54	103.8 Å²	103.8	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-60.4	-42.4	174.7	0	0	0	0	0	111.5	D727 Q728 N734 Q735	D727-A731 VanDerWaalsContact O-CB 3.31Å; D727-A731 WeakPolarHBondContact O-CB 3.49Å; D727-A731 PolarHBondContact O-N 3.28Å; Q728-A731 PolarHBondContact O-N 3.47Å; A731-N734 PolarHBondContact O-N 3.16Å; A731-Q735 PolarHBondContact O-N 3.37Å
732	H	81.6	Confident	75.9	Confident	112 Å²	112	105.5 Å²	105.5	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-67.1	-42.1	177.2	-151.2	-100.3	0	0	0	111.9	Q728 A729 V730 N734 Q735 L736	Q728-H732 WeakPolarHBondContact O-CB 3.44Å; Q728-H732 PolarHBondContact O-N 3.28Å; A729-H732 PolarHBondContact O-N 3.38Å; V730-H732 VanDerWaalsContact C-N 3.31Å; V730-H732 PolarHBondContact O-N 3.42Å; H732-N734 VanDerWaalsContact C-N 3.33Å; H732-N734 PolarHBondContact O-N 2.93Å; H732-Q735 WeakPolarHBondContact O-CB 3.27Å; H732-Q735 PolarHBondContact O-N 3.31Å; H732-L736 WeakPolarHBondContact O-CG 3.37Å; H732-L736 PolarHBondContact O-N 3.18Å
733	L	80.2	Confident	74.3	Confident	86 Å²	86	107.9 Å²	107.9	45%	0.45	54%	0.536	S	S	.	.	H	α-helix	trans	-61.2	-41.4	173.8	-166.4	87.6	0	0	0	111.5	A729 V730 L736 R737	A729-L733 WeakPolarHBondContact O-CB 3.44Å; A729-L733 PolarHBondContact O-N 2.87Å; V730-L733 PolarHBondContact O-N 2.96Å; L733-L736 PolarHBondContact O-N 3.25Å; L733-R737 PolarHBondContact O-N 3.45Å
734	N	79.7	Confident	72.8	Confident	67 Å²	67	114.7 Å²	114.7	36%	0.358	57%	0.574	S	S	.	*	H	α-helix	trans	-67.1	-37.1	176.7	-75.9	-33.2	0	0	0	112	V730 A731 H732 R738	V730-N734 WeakPolarHBondContact O-CB 3.4Å; V730-N734 VanDerWaalsContact O-CG 3.28Å; V730-N734 PolarHBondContact O-N 2.92Å; V730-N734 PolarHBondContact O-ND2 3.21Å; A731-N734 PolarHBondContact O-N 3.16Å; H732-N734 VanDerWaalsContact C-N 3.33Å; H732-N734 PolarHBondContact O-N 2.93Å; N734-R738 WeakPolarHBondContact O-CG 3.46Å; N734-R738 PolarHBondContact O-N 3.02Å
735	Q	81.3	Confident	72.5	Confident	117 Å²	117	114.5 Å²	114.5	55%	0.547	58%	0.577	S	S	.	*	H	α-helix	trans	-62.3	-44.9	170	-82.9	-176.3	-28.6	0	0	111.7	A731 H732 R738 L739	A731-Q735 PolarHBondContact O-N 3.37Å; H732-Q735 WeakPolarHBondContact O-CB 3.27Å; H732-Q735 PolarHBondContact O-N 3.31Å; Q735-R738 WeakPolarHBondContact O-CB 3.38Å; Q735-R738 PolarHBondContact O-N 3.23Å; Q735-L739 WeakPolarHBondContact O-CG 3.19Å; Q735-L739 PolarHBondContact O-N 2.96Å
736	L	79.2	Confident	72	Confident	87 Å²	87	113.3 Å²	113.3	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-63.1	-41.9	177.2	-71.7	170.6	0	0	0	112.4	H732 L733 R738 L739 Q740	H732-L736 WeakPolarHBondContact O-CG 3.37Å; H732-L736 PolarHBondContact O-N 3.18Å; L733-L736 PolarHBondContact O-N 3.25Å; L736-R738 VanDerWaalsContact C-N 3.32Å; L736-R738 PolarHBondContact O-N 2.9Å; L736-L739 PolarHBondContact O-N 3.11Å; L736-L739 VanDerWaalsContact O-N 3.14Å; L736-Q740 PolarHBondContact O-N 2.93Å
737	R	76.8	Confident	71.5	Confident	141 Å²	141	111.8 Å²	111.8	53%	0.532	58%	0.575	S	S	.	*	H	α-helix	trans	-60.3	-40.8	173.5	-78.1	-176	-172.3	170.1	2.8	112	L733 L739 Q740 H741	L733-R737 PolarHBondContact O-N 3.45Å; R737-L739 VanDerWaalsContact C-N 3.29Å; R737-L739 PolarHBondContact O-N 3.09Å; R737-Q740 PolarHBondContact O-N 2.79Å; R737-H741 PolarHBondContact O-CD2 3.47Å; R737-H741 PolarHBondContact O-N 3.05Å
738	R	76.5	Confident	71.1	Confident	187 Å²	187	112.9 Å²	112.9	71%	0.706	58%	0.579	S	S	*	*	H	α-helix	trans	-62.6	-36.8	175.2	-73.6	175.7	-176	-179.4	2.8	111.9	N734 Q735 L736 C742	N734-R738 WeakPolarHBondContact O-CG 3.46Å; N734-R738 PolarHBondContact O-N 3.02Å; Q735-R738 WeakPolarHBondContact O-CB 3.38Å; Q735-R738 PolarHBondContact O-N 3.23Å; L736-R738 VanDerWaalsContact C-N 3.32Å; L736-R738 PolarHBondContact O-N 2.9Å; R738-C742 PolarHBondContact O-N 3.08Å; R738-C742 PolarHBondContact O-SG 2.96Å
739	L	76.6	Confident	70.3	Confident	112 Å²	112	112.4 Å²	112.4	59%	0.586	58%	0.58	S	S	*	*	H	α-helix	trans	-72.1	-38.2	176.4	-69.4	169.9	0	0	0	112.6	Q735 L736 R737 H741 C742 T743	Q735-L739 WeakPolarHBondContact O-CG 3.19Å; Q735-L739 PolarHBondContact O-N 2.96Å; L736-L739 PolarHBondContact O-N 3.11Å; L736-L739 VanDerWaalsContact O-N 3.14Å; R737-L739 VanDerWaalsContact C-N 3.29Å; R737-L739 PolarHBondContact O-N 3.09Å; L739-H741 VanDerWaalsContact C-N 3.35Å; L739-C742 WeakPolarHBondContact O-CA 3.02Å; L739-C742 WeakPolarHBondContact O-CB 3.49Å; L739-C742 PolarHBondContact O-N 3.13Å; L739-T743 PolarHBondContact O-N 3.23Å
740	Q	62.8	Low	69.8	Low	144 Å²	144	115.9 Å²	115.9	67%	0.673	59%	0.586	S	S	*	*	H	α-helix	trans	-65.6	-35.6	174.4	-81.1	-175.3	-35.3	0	0	112.7	L736 R737 C742 T743	L736-Q740 PolarHBondContact O-N 2.93Å; R737-Q740 PolarHBondContact O-N 2.79Å; Q740-C742 PolarHBondContact O-N 3.07Å; Q740-T743 PolarHBondContact O-N 3.47Å; Q740-T743 VanDerWaalsContact O-N 3.12Å; Q740-T743 PolarHBondContact O-OG1 3.47Å; Q740-T743 VanDerWaalsContact O-OG1 3.07Å
741	H	56.1	Low	69.1	Low	162 Å²	162	121 Å²	121	75%	0.75	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-6.7	170.9	-76.7	-62.9	0	0	0	113.9	R737 L739	R737-H741 PolarHBondContact O-CD2 3.47Å; R737-H741 PolarHBondContact O-N 3.05Å; L739-H741 VanDerWaalsContact C-N 3.35Å
742	C	52.6	Low	68.2	Low	97 Å²	97	126.2 Å²	126.2	66%	0.655	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	1.1	170.9	-63.3	0	0	0	0	112.9	R738 L739 Q740	R738-C742 PolarHBondContact O-N 3.08Å; R738-C742 PolarHBondContact O-SG 2.96Å; L739-C742 WeakPolarHBondContact O-CA 3.02Å; L739-C742 WeakPolarHBondContact O-CB 3.49Å; L739-C742 PolarHBondContact O-N 3.13Å; Q740-C742 PolarHBondContact O-N 3.07Å
743	T	42.3	Very low	67.1	Low	104 Å²	104	127.3 Å²	127.3	64%	0.638	63%	0.629	S	S	*	*			trans	-117.6	64.8	174.5	55.8	0	0	0	0	110.4	L739 Q740	L739-T743 PolarHBondContact O-N 3.23Å; Q740-T743 PolarHBondContact O-N 3.47Å; Q740-T743 VanDerWaalsContact O-N 3.12Å; Q740-T743 PolarHBondContact O-OG1 3.47Å; Q740-T743 VanDerWaalsContact O-OG1 3.07Å
744	D	41.3	Very low	65.9	Low	224 Å²	224	131.1 Å²	131.1	100%	1.198	65%	0.645	S	S	*	*			trans	-117.4	0	143.1	-81.4	-33.3	0	0	0	106.1

Retrieved 744 of 744 residues in 536.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).