A0A3Q0KLE9_SCHMA Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A3Q0KLE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 421 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	27.5	Very low	28.4	Very low	233 Å²	233	164.7 Å²	164.7	100%	1.148	85%	0.846	S	S	*	*				0	98	0	-159.8	175.5	-170.8	0	0	104.1
2	V	29.5	Very low	28.2	Very low	138 Å²	138	156.9 Å²	156.9	84%	0.836	84%	0.837	S	S	*	*			cis	-109	141.9	28.2	176.7	0	0	0	0	111
3	R	23.8	Very low	28.1	Very low	175 Å²	175	159.7 Å²	159.7	66%	0.66	84%	0.842	S	S	*	*			trans	-94	127.9	-179.2	-76.7	-169.1	-112.5	-168.8	-1.7	110.6	S5	R3-S5 PolarHBondContact O-N 3.46Å
4	Y	28.8	Very low	28	Very low	244 Å²	244	158.7 Å²	158.7	96%	0.957	85%	0.846	S	S	*	*	S	Bend	trans	-78.9	84.9	172.9	-110.2	-93.7	0	0	0	109.1
5	S	30.2	Very low	27.9	Very low	93 Å²	93	154.4 Å²	154.4	65%	0.65	83%	0.833	S	S	*	*			trans	-147.9	5.1	171.5	53.6	0	0	0	0	114.9	R3	R3-S5 PolarHBondContact O-N 3.46Å
6	D	30	Very low	27.8	Very low	138 Å²	138	156.8 Å²	156.8	74%	0.738	84%	0.838	S	S	*	*			trans	-110	143.4	175.8	-53.5	-37	0	0	0	108.1
7	I	32.1	Very low	27.9	Very low	174 Å²	174	157.4 Å²	157.4	89%	0.892	83%	0.831	S	S	*	*			trans	100.2	59.8	-171.9	-46.4	156.4	0	0	0	113.2
8	L	26.1	Very low	27.9	Very low	172 Å²	172	153.4 Å²	153.4	90%	0.901	83%	0.834	S	S	*	*			trans	-149.8	96.7	142.9	-94.9	174	0	0	0	107.5
9	S	25.2	Very low	28.1	Very low	114 Å²	114	154.8 Å²	154.8	80%	0.797	83%	0.834	S	S	*	*			trans	161.1	116.3	154.5	-96.1	0	0	0	0	108.1
10	I	31.3	Very low	28.2	Very low	175 Å²	175	150.1 Å²	150.1	90%	0.897	82%	0.824	S	S	*	*			trans	-167.4	116.9	134.7	-87.4	144.4	0	0	0	105.5
11	D	28.1	Very low	28.4	Very low	156 Å²	156	150.9 Å²	150.9	83%	0.834	82%	0.819	S	S	*	*			trans	-61.6	150.6	173.8	-75.8	-52.9	0	0	0	112.9
12	G	26	Very low	28.6	Very low	71 Å²	71	144.8 Å²	144.8	73%	0.732	79%	0.79	S	S	*	*			trans	43.2	102.8	142.4	0	0	0	0	0	119.4
13	Q	26.9	Very low	28.8	Very low	193 Å²	193	141.2 Å²	141.2	90%	0.902	77%	0.765	S	S	*	*				-166.2	127.7	128.6	-108.8	170.9	29	0	0	110.3
14	T	26	Very low	29.4	Very low	146 Å²	146	135.5 Å²	135.5	90%	0.896	75%	0.748	S	S	*	*			trans	-66.9	122.4	171.3	44.3	0	0	0	0	110.3
15	S	26.9	Very low	30	Very low	94 Å²	94	131.6 Å²	131.6	66%	0.657	74%	0.736	S	S	*	*			trans	-142	126.6	158.7	64.3	0	0	0	0	110.5	F17	S15-F17 PolarHBondContact O-N 3.35Å
16	E	26.7	Very low	30.9	Very low	193 Å²	193	129.4 Å²	129.4	90%	0.902	72%	0.715	S	S	*	*			trans	-65.8	112.3	175	-71.2	175.5	132	0	0	110.1
17	F	28.4	Very low	31.6	Very low	167 Å²	167	126.5 Å²	126.5	73%	0.732	70%	0.704	S	S	*	*			trans	-140	118.9	167.5	-83.4	-81.6	0	0	0	111.5	S15 H19	S15-F17 PolarHBondContact O-N 3.35Å; F17-H19 PolarHBondContact O-N 2.82Å; F17-H19 PolarHBondContact O-ND1 2.99Å
18	G	28.6	Very low	32.3	Very low	85 Å²	85	124 Å²	124	88%	0.876	70%	0.701	S	S	*	*			trans	-55.5	118.7	-172.6	0	0	0	0	0	114	G20	G18-G20 PolarHBondContact O-N 3.04Å
19	H	32.3	Very low	33.4	Very low	180 Å²	180	117.2 Å²	117.2	83%	0.833	67%	0.667	S	S	*	*			trans	-86.9	102.3	-178.1	-79.5	23	0	0	0	112.3	F17 K21	F17-H19 PolarHBondContact O-N 2.82Å; F17-H19 PolarHBondContact O-ND1 2.99Å; H19-K21 PolarHBondContact O-N 3.14Å; H19-K21 VanDerWaalsContact O-N 3.17Å
20	G	30.1	Very low	34.2	Very low	61 Å²	61	117.2 Å²	117.2	63%	0.629	67%	0.666	S	S	*	*			trans	-71.8	95.8	161.2	0	0	0	0	0	111.1	G18 I22	G18-G20 PolarHBondContact O-N 3.04Å; G20-I22 PolarHBondContact O-N 3.14Å
21	K	31.3	Very low	34.9	Very low	167 Å²	167	110.9 Å²	110.9	73%	0.726	63%	0.634	S	S	*	*			trans	-82.7	94.6	-177.2	-164.4	177.4	-173	175.3	0	111.1	H19 I23	H19-K21 PolarHBondContact O-N 3.14Å; H19-K21 VanDerWaalsContact O-N 3.17Å; K21-I23 HydrophobicContact CG-CG1 4.09Å
22	I	31.7	Very low	35.7	Very low	104 Å²	104	107.7 Å²	107.7	53%	0.533	62%	0.624	S	S	.	*			trans	-89.2	108.4	170.6	-56.5	-176.1	0	0	0	109.6	G20 I381	G20-I22 PolarHBondContact O-N 3.14Å; I22-I381 HydrophobicContact CB-CG2 3.77Å; I22-I381 HydrophobicContact CD1-CD1 4.25Å; I22-I381 HydrophobicContact CD1-CG2 4.22Å; I22-I381 HydrophobicContact CG1-CG2 4.22Å
23	I	34.6	Very low	36.7	Very low	63 Å²	63	108.5 Å²	108.5	32%	0.323	61%	0.611	S	S	.	*			trans	-86.4	133.4	-172.6	-61	165.9	0	0	0	109.4	K21 K25 P156	K21-I23 HydrophobicContact CG-CG1 4.09Å; I23-K25 HydrophobicContact CB-CG 4.09Å; I23-K25 HydrophobicContact CG2-CB 4.44Å; I23-K25 HydrophobicContact CG2-CG 3.67Å; I23-K25 PolarHBondContact O-N 3.12Å; I23-P156 WeakPolarHBondContact CG2-O 3.29Å
24	L	36.7	Very low	37.8	Very low	56 Å²	56	99.9 Å²	99.9	29%	0.293	57%	0.572	S	S	.	*			trans	-67.2	80.8	155.3	-71.4	166.9	0	0	0	106.8	P156 K385 T389	L24-P156 HydrophobicContact CB-CB 4.12Å; L24-P156 HydrophobicContact CB-CG 4.17Å; L24-P156 HydrophobicContact CD1-CB 4.42Å; L24-P156 HydrophobicContact CD1-CG 3.96Å; L24-K385 HydrophobicContact CD1-CB 4.01Å; L24-K385 HydrophobicContact CD1-CG 4.18Å; L24-K385 HydrophobicContact CD2-CD 4.02Å; L24-K385 HydrophobicContact CD2-CG 4.26Å; L24-K385 HydrophobicContact CG-CB 4.28Å; L24-K385 HydrophobicContact CG-CD 4.2Å; L24-K385 HydrophobicContact CG-CG 3.91Å; L24-T389 HydrophobicContact CD1-CG2 3.96Å
25	K	40.6	Very low	38.8	Very low	162 Å²	162	96.8 Å²	96.8	70%	0.704	56%	0.556	S	S	*	*			trans	-67.2	142.9	170.4	-79.3	-172.8	175.2	179	0	106.5	I23	I23-K25 HydrophobicContact CB-CG 4.09Å; I23-K25 HydrophobicContact CG2-CB 4.44Å; I23-K25 HydrophobicContact CG2-CG 3.67Å; I23-K25 PolarHBondContact O-N 3.12Å
26	E	48.4	Very low	39.8	Very low	47 Å²	47	98.8 Å²	98.8	22%	0.22	56%	0.557	C	S	.	*			trans	-45.4	129.7	160.4	-71.3	-178.3	172.5	0	0	106.7	S28 R89 F155 H367	E26-S28 PolarHBondContact O-N 2.86Å; E26-R89 IonicContact OE1-NH2 2.87Å; E26-R89 IonicContact OE2-CZ 2.64Å; E26-R89 IonicContact OE2-NH1 2.93Å; E26-R89 PolarHBondContact OE2-NH1 3.37Å; E26-R89 IonicContact OE2-NH2 3.74Å; E26-R89 PolarHBondContact OE2-NH2 3.01Å; E26-F155 HydrophobicContact CG-CD2 3.65Å; E26-F155 HydrophobicContact CG-CE2 3.87Å; E26-F155 HydrophobicContact CG-CG 4.26Å; E26-F155 VanDerWaalsContact OE1-CD2 3.28Å; E26-F155 WeakPolarHBondContact OE1-CD2 3.29Å; E26-F155 WeakPolarHBondContact OE1-CE2 3.4Å; E26-H367 IonicContact OE1-CE1 3.25Å; E26-H367 PolarHBondContact OE1-CE1 2.89Å; E26-H367 VanDerWaalsContact OE1-CE1 3.28Å; E26-H367 IonicContact OE1-ND1 2.84Å; E26-H367 PolarHBondContact OE1-ND1 3.28Å
27	P	46.4	Very low	41.4	Very low	77 Å²	77	92.6 Å²	92.6	50%	0.5	53%	0.532	S	S	.	.			trans	-51.6	121.7	-177.2	16.8	-28.4	0	0	0	108.4	V29	P27-V29 PolarHBondContact O-N 3.37Å; P27-V29 VanDerWaalsContact O-N 3.08Å
28	S	45.9	Very low	43.2	Very low	120 Å²	120	86.1 Å²	86.1	84%	0.839	50%	0.504	S	S	*	.			trans	-66.4	110.5	-178.9	42	0	0	0	0	108.1	E26 C30	E26-S28 PolarHBondContact O-N 2.86Å; S28-C30 PolarHBondContact O-N 3.27Å
29	V	49.7	Very low	45.2	Very low	31 Å²	31	84 Å²	84	19%	0.188	48%	0.481	C	S	.	.			trans	-75.2	114.1	170.9	-176.9	0	0	0	0	106.7	P27 L31 M88 R89 M92	P27-V29 PolarHBondContact O-N 3.37Å; P27-V29 VanDerWaalsContact O-N 3.08Å; V29-L31 VanDerWaalsContact C-N 3.28Å; V29-L31 HydrophobicContact CB-CD2 4.38Å; V29-L31 HydrophobicContact CB-CG 4.27Å; V29-L31 HydrophobicContact CG1-CD2 3.64Å; V29-L31 HydrophobicContact CG1-CG 3.96Å; V29-L31 PolarHBondContact O-N 3.49Å; V29-M88 HydrophobicContact CG1-CB 4.29Å; V29-R89 HydrophobicContact CG2-CG 3.61Å; V29-M92 HydrophobicContact CG1-SD 4.49Å; V29-M92 HydrophobicContact CG2-SD 4.14Å
30	C	41	Very low	47.5	Very low	113 Å²	113	83.7 Å²	83.7	76%	0.764	49%	0.486	S	S	*	.			trans	-68.4	90.9	171.4	-122.8	0	0	0	0	108.4	S28 S32	S28-C30 PolarHBondContact O-N 3.27Å; C30-S32 PolarHBondContact O-N 3.44Å
31	L	47	Very low	50.3	Low	42 Å²	42	82.2 Å²	82.2	22%	0.22	47%	0.465	C	S	.	.			trans	-82.7	15.3	-175.5	-75.3	-179.8	0	0	0	114.2	V29 N33 R84 E85 M88	V29-L31 VanDerWaalsContact C-N 3.28Å; V29-L31 HydrophobicContact CB-CD2 4.38Å; V29-L31 HydrophobicContact CB-CG 4.27Å; V29-L31 HydrophobicContact CG1-CD2 3.64Å; V29-L31 HydrophobicContact CG1-CG 3.96Å; V29-L31 PolarHBondContact O-N 3.49Å; L31-N33 PolarHBondContact O-N 3.41Å; L31-R84 HydrophobicContact CD1-CB 4.05Å; L31-E85 HydrophobicContact CD1-CB 4.15Å; L31-E85 HydrophobicContact CD1-CG 3.2Å; L31-E85 HydrophobicContact CG-CG 4.27Å; L31-M88 HydrophobicContact CD2-CB 4.18Å; L31-M88 HydrophobicContact CD2-CG 3.43Å; L31-M88 VanDerWaalsContact CD2-CG 3.43Å
32	S	43.8	Very low	53.3	Low	90 Å²	90	77.3 Å²	77.3	63%	0.629	45%	0.45	S	S	*	.	S	Bend	trans	-60.6	-17.1	-167.8	55.9	0	0	0	0	114.2	C30	C30-S32 PolarHBondContact O-N 3.44Å
33	N	47.9	Very low	56.2	Low	88 Å²	88	76.5 Å²	76.5	47%	0.471	45%	0.452	S	S	.	.			trans	-152.9	108.2	161.2	-84.3	-36.6	0	0	0	110.9	L31 S35 M36 V37	L31-N33 PolarHBondContact O-N 3.41Å; N33-S35 PolarHBondContact O-N 3.27Å; N33-S35 VanDerWaalsContact O-N 3.16Å; N33-M36 HydrophobicContact CB-CB 3.77Å; N33-M36 HydrophobicContact CB-CE 3.63Å; N33-M36 HydrophobicContact CB-CG 3.55Å; N33-M36 HydrophobicContact CB-SD 4.27Å; N33-M36 WeakPolarHBondContact O-CA 3.43Å; N33-M36 WeakPolarHBondContact O-CB 3.35Å; N33-M36 PolarHBondContact O-N 3.07Å; N33-V37 PolarHBondContact O-N 2.71Å
34	T	50.3	Low	59	Low	11 Å²	11	74.2 Å²	74.2	7%	0.067	44%	0.44	C	S	.	.	H	α-helix	trans	-58.9	-29.1	173.4	-32.4	0	0	0	0	111.8	M36 V37 F38 M88 Y128	T34-M36 VanDerWaalsContact C-N 3.32Å; T34-M36 PolarHBondContact O-N 3.3Å; T34-V37 PolarHBondContact O-N 2.95Å; T34-F38 HydrophobicContact CG2-CD2 4.22Å; T34-F38 HydrophobicContact CG2-CE2 4.06Å; T34-F38 PolarHBondContact O-N 3.18Å; T34-M88 HydrophobicContact CG2-CE 4.4Å; T34-M88 HydrophobicContact CG2-SD 3.87Å; T34-Y128 HydrophobicContact CG2-CD2 4.39Å; T34-Y128 HydrophobicContact CG2-CE2 4.06Å
35	S	47.1	Very low	61.6	Low	81 Å²	81	73.1 Å²	73.1	57%	0.566	44%	0.436	S	S	*	.	H	α-helix	trans	-65.5	-30.7	171.3	-168	0	0	0	0	113.2	N33 V37 G39	N33-S35 PolarHBondContact O-N 3.27Å; N33-S35 VanDerWaalsContact O-N 3.16Å; S35-V37 VanDerWaalsContact C-N 3.3Å; S35-G39 PolarHBondContact O-N 2.93Å
36	M	47.5	Very low	63.8	Low	136 Å²	136	72.4 Å²	72.4	67%	0.67	45%	0.446	S	S	*	.	H	α-helix	trans	-74.4	-23.2	174.6	-74.3	-162.2	-62.9	0	0	112.1	N33 T34	N33-M36 HydrophobicContact CB-CB 3.77Å; N33-M36 HydrophobicContact CB-CE 3.63Å; N33-M36 HydrophobicContact CB-CG 3.55Å; N33-M36 HydrophobicContact CB-SD 4.27Å; N33-M36 WeakPolarHBondContact O-CA 3.43Å; N33-M36 WeakPolarHBondContact O-CB 3.35Å; N33-M36 PolarHBondContact O-N 3.07Å; T34-M36 VanDerWaalsContact C-N 3.32Å; T34-M36 PolarHBondContact O-N 3.3Å
37	V	59.8	Low	65.6	Low	63 Å²	63	72.5 Å²	72.5	38%	0.382	45%	0.451	S	S	.	.	H	α-helix	trans	-83	-34.8	-175.7	-178	0	0	0	0	112.1	N33 T34 S35	N33-V37 PolarHBondContact O-N 2.71Å; T34-V37 PolarHBondContact O-N 2.95Å; S35-V37 VanDerWaalsContact C-N 3.3Å
38	F	67.3	Low	67.7	Low	32 Å²	32	70.6 Å²	70.6	14%	0.14	44%	0.438	C	S	.	.	H	α-helix	trans	-110.3	-13.7	-176.2	-58.9	-49.6	0	0	0	115.5	T34 V41 L81 M88 V91 V119 Y128	T34-F38 HydrophobicContact CG2-CD2 4.22Å; T34-F38 HydrophobicContact CG2-CE2 4.06Å; T34-F38 PolarHBondContact O-N 3.18Å; F38-V41 HydrophobicContact CB-CG1 3.47Å; F38-V41 VanDerWaalsContact CB-CG1 3.47Å; F38-V41 HydrophobicContact CG-CG1 4.31Å; F38-L81 HydrophobicContact CE2-CD1 4.39Å; F38-L81 HydrophobicContact CZ-CD1 4.33Å; F38-M88 HydrophobicContact CD2-SD 4.4Å; F38-M88 HydrophobicContact CE1-SD 4.26Å; F38-M88 HydrophobicContact CE2-CE 3.68Å; F38-M88 HydrophobicContact CE2-SD 3.21Å; F38-M88 WeakPolarHBondContact CE2-SD 3.33Å; F38-M88 HydrophobicContact CZ-CE 3.77Å; F38-M88 HydrophobicContact CZ-SD 3.12Å; F38-M88 WeakPolarHBondContact CZ-SD 3.46Å; F38-V91 HydrophobicContact CE1-CB 4.38Å; F38-V91 HydrophobicContact CE1-CG1 3.62Å; F38-V91 HydrophobicContact CZ-CB 4.34Å; F38-V91 HydrophobicContact CZ-CG1 4.04Å; F38-V91 HydrophobicContact CZ-CG2 4.34Å; F38-V119 HydrophobicContact CD1-CB 4.46Å; F38-V119 HydrophobicContact CD1-CG2 4.11Å; F38-V119 HydrophobicContact CD2-CG1 4.12Å; F38-V119 HydrophobicContact CE1-CG2 3.77Å; F38-V119 HydrophobicContact CE2-CG1 4.07Å; F38-V119 HydrophobicContact CE2-CG2 4.43Å; F38-V119 HydrophobicContact CG-CG1 4.43Å; F38-V119 HydrophobicContact CZ-CG1 4.36Å; F38-V119 HydrophobicContact CZ-CG2 3.9Å; F38-Y128 HydrophobicContact CD2-CD1 4.15Å; F38-Y128 HydrophobicContact CD2-CE1 4.05Å; F38-Y128 HydrophobicContact CE2-CD1 4.46Å
39	G	69.8	Low	69.9	Low	40 Å²	40	68.5 Å²	68.5	41%	0.412	42%	0.415	S	S	.	.			trans	59.7	-148.8	-170.5	0	0	0	0	0	111.9	S35 V41	S35-G39 PolarHBondContact O-N 2.93Å; G39-V41 PolarHBondContact O-N 2.84Å
40	D	80.9	Confident	71.8	Confident	174 Å²	174	70 Å²	70	93%	0.93	43%	0.427	S	S	*	.	S	Bend	trans	-73.5	107.8	174.6	-68.8	-33.2	0	0	0	110.3
41	V	89.1	Confident	74.2	Confident	29 Å²	29	65.8 Å²	65.8	18%	0.176	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-95.6	145.2	175.6	-65.3	0	0	0	0	111.6	F38 G39 V119 Q121 Y128	F38-V41 HydrophobicContact CB-CG1 3.47Å; F38-V41 VanDerWaalsContact CB-CG1 3.47Å; F38-V41 HydrophobicContact CG-CG1 4.31Å; G39-V41 PolarHBondContact O-N 2.84Å; V41-V119 HydrophobicContact CG1-CB 4.31Å; V41-V119 HydrophobicContact CG1-CG1 4.33Å; V41-Q121 HydrophobicContact CG2-CB 3.55Å; V41-Y128 HydrophobicContact CG2-CD1 4.19Å; V41-Y128 HydrophobicContact CG2-CE1 3.73Å
42	P	93.8	Very high	76.2	Confident	65 Å²	65	66.5 Å²	66.5	42%	0.422	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-61.4	149.8	175.5	24.9	-34.6	0	0	0	112	V119 F120 Q121	P42-V119 WeakPolarHBondContact CD-O 3.28Å; P42-F120 HydrophobicContact CB-CD1 3.93Å; P42-F120 HydrophobicContact CB-CE1 3.89Å; P42-F120 HydrophobicContact CG-CD1 3.6Å; P42-F120 HydrophobicContact CG-CE1 3.54Å; P42-F120 HydrophobicContact CG-CE2 4.48Å; P42-F120 HydrophobicContact CG-CG 4.13Å; P42-F120 HydrophobicContact CG-CZ 3.99Å; P42-F120 VanDerWaalsContact O-CA 3.3Å; P42-F120 WeakPolarHBondContact O-CA 3.28Å; P42-Q121 PolarHBondContact O-N 2.86Å
43	P	93.6	Very high	78.5	Confident	87 Å²	87	63.5 Å²	63.5	57%	0.565	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-67.3	144.9	173.6	29.4	-34.5	0	0	0	110.8	Q121 P123	P43-Q121 CarbonylContact C-O 3.59Å; P43-Q121 WeakPolarHBondContact CA-O 3.48Å; P43-P123 HydrophobicContact CB-CG 3.82Å
44	L	92.3	Very high	80.6	Confident	15 Å²	15	61.3 Å²	61.3	8%	0.079	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-57.2	132.9	170.3	-173.5	73.8	0	0	0	109.5	L69 Y78 F120 Q121 C122 Y129	L44-L69 HydrophobicContact CD2-CD1 3.74Å; L44-Y78 HydrophobicContact CD1-CD1 3.44Å; L44-Y78 VanDerWaalsContact CD1-CD1 3.44Å; L44-Y78 HydrophobicContact CD1-CD2 3.9Å; L44-Y78 HydrophobicContact CD1-CE1 3.95Å; L44-Y78 HydrophobicContact CD1-CE2 4.35Å; L44-Y78 HydrophobicContact CD1-CG 3.44Å; L44-Y78 VanDerWaalsContact CD1-CG 3.44Å; L44-F120 HydrophobicContact CD1-CB 4.34Å; L44-Q121 PolarHBondContact N-O 3.45Å; L44-C122 HydrophobicContact CD2-CB 4.33Å; L44-Y129 HydrophobicContact CD1-CD2 4.43Å; L44-Y129 HydrophobicContact CD1-CG 4.23Å; L44-Y129 HydrophobicContact CD2-CD2 4.32Å; L44-Y129 HydrophobicContact CD2-CE2 4.32Å
45	P	92.2	Very high	82.5	Confident	33 Å²	33	61.9 Å²	61.9	21%	0.214	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-58.8	150.6	177.5	-27.5	37.9	0	0	0	112.9	T48 Y78	P45-T48 WeakPolarHBondContact O-CG2 3.37Å; P45-Y78 HydrophobicContact CG-CE2 4.25Å; P45-Y78 VanDerWaalsContact CG-OH 3.26Å; P45-Y78 WeakPolarHBondContact CG-OH 3.47Å
46	T	86.3	Confident	84.3	Confident	147 Å²	147	59.3 Å²	59.3	90%	0.902	36%	0.357	S	S	*	.	S	Bend	trans	-78.6	-24.5	180	52.1	0	0	0	0	112.9	T48	T46-T48 PolarHBondContact O-N 3.12Å; T46-T48 VanDerWaalsContact O-N 3.08Å
47	C	87.1	Confident	85.8	Confident	49 Å²	49	55.2 Å²	55.2	33%	0.331	35%	0.349	S	S	.	.	S	Bend	trans	-85.9	48.1	-177.9	59.4	0	0	0	0	113.1	K72	C47-K72 WeakPolarHBondContact O-CG 3.34Å; C47-K72 PolarHBondContact O-N 2.88Å
48	T	90.3	Very high	86.1	Confident	36 Å²	36	57.7 Å²	57.7	22%	0.221	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.9	178.7	60.2	0	0	0	0	113.2	P45 T46 R70 Y78	P45-T48 WeakPolarHBondContact O-CG2 3.37Å; T46-T48 PolarHBondContact O-N 3.12Å; T46-T48 VanDerWaalsContact O-N 3.08Å; T48-R70 CarbonylContact C-O 3.54Å; T48-R70 WeakPolarHBondContact CA-O 3.44Å; T48-Y78 HydrophobicContact CG2-CD2 3.89Å; T48-Y78 HydrophobicContact CG2-CE2 3.93Å
49	E	90.7	Very high	85.5	Confident	77 Å²	77	59.8 Å²	59.8	36%	0.36	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	169.1	170.2	58.1	-174	-166	0	0	112.1	L69 R70 K72	E49-L69 CarbonylContact O-C 3.58Å; E49-L69 WeakPolarHBondContact O-CA 3.45Å; E49-R70 HydrophobicContact CG-CB 4.37Å; E49-R70 PolarHBondContact N-O 3.08Å; E49-R70 PolarHBondContact O-N 2.96Å; E49-K72 HydrophobicContact CG-CG 4.02Å; E49-K72 WeakPolarHBondContact OE2-CE 3.23Å; E49-K72 IonicContact OE2-NZ 3.62Å; E49-K72 PolarHBondContact OE2-NZ 3.39Å
50	S	90.5	Very high	84.6	Confident	63 Å²	63	65.7 Å²	65.7	44%	0.441	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.1	176.2	-170.8	0	0	0	0	111.3	A52 E67	S50-A52 PolarHBondContact O-N 2.73Å; S50-E67 VanDerWaalsContact CB-OE2 3.3Å; S50-E67 WeakPolarHBondContact CB-OE2 3.47Å; S50-E67 PolarHBondContact OG-OE2 3.03Å
51	Y	91.6	Very high	82.8	Confident	24 Å²	24	65.7 Å²	65.7	9%	0.094	38%	0.379	C	S	.	.			trans	-81.1	106.6	-177.2	-175.8	-112.9	0	0	0	111.9	F53 Q54 I68 R70 I77 D134 V136	Y51-F53 VanDerWaalsContact C-N 3.27Å; Y51-F53 HydrophobicContact CE1-CB 3.89Å; Y51-F53 HydrophobicContact CE2-CB 4.31Å; Y51-F53 HydrophobicContact CE2-CD2 4.23Å; Y51-F53 PolarHBondContact O-N 3.17Å; Y51-Q54 HydrophobicContact CD1-CB 4.11Å; Y51-I68 WeakPolarHBondContact CB-O 3.34Å; Y51-I68 HydrophobicContact CD1-CB 4.29Å; Y51-I68 HydrophobicContact CD1-CG2 3.94Å; Y51-I68 HydrophobicContact CG-CB 4.43Å; Y51-I68 HydrophobicContact CG-CG2 3.91Å; Y51-I68 PolarHBondContact N-O 2.7Å; Y51-R70 HydrophobicContact CD2-CB 4.12Å; Y51-R70 HydrophobicContact CD2-CG 4.34Å; Y51-I77 HydrophobicContact CD2-CG2 3.72Å; Y51-I77 HydrophobicContact CE2-CG2 3.68Å; Y51-I77 HydrophobicContact CG-CG2 4.34Å; Y51-D134 PolarHBondContact OH-OD1 3.36Å; Y51-V136 HydrophobicContact CE2-CG2 4.2Å; Y51-V136 WeakPolarHBondContact OH-CG2 3.21Å
52	A	88.9	Confident	80.5	Confident	57 Å²	57	72 Å²	72	47%	0.471	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.2	-174.4	0	0	0	0	0	114.5	S50 K195	S50-A52 PolarHBondContact O-N 2.73Å; A52-K195 WeakPolarHBondContact O-CE 3.23Å; A52-K195 PolarHBondContact O-NZ 3.08Å
53	F	91.9	Very high	78.2	Confident	26 Å²	26	69.9 Å²	69.9	11%	0.114	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	16.5	-168.4	-57.3	-60.7	0	0	0	114.6	Y51 V55 V136 P142 I144 L193	Y51-F53 VanDerWaalsContact C-N 3.27Å; Y51-F53 HydrophobicContact CE1-CB 3.89Å; Y51-F53 HydrophobicContact CE2-CB 4.31Å; Y51-F53 HydrophobicContact CE2-CD2 4.23Å; Y51-F53 PolarHBondContact O-N 3.17Å; F53-V55 PolarHBondContact O-N 3.37Å; F53-V136 HydrophobicContact CB-CG2 4.1Å; F53-V136 HydrophobicContact CD2-CG2 3.43Å; F53-V136 VanDerWaalsContact CD2-CG2 3.43Å; F53-V136 HydrophobicContact CE2-CG2 4.08Å; F53-V136 HydrophobicContact CG-CG2 3.97Å; F53-P142 HydrophobicContact CD1-CG 3.88Å; F53-P142 HydrophobicContact CE1-CG 3.73Å; F53-P142 HydrophobicContact CE2-CG 4.49Å; F53-P142 HydrophobicContact CG-CG 4.3Å; F53-P142 HydrophobicContact CZ-CG 4.06Å; F53-I144 HydrophobicContact CB-CD1 3.74Å; F53-I144 HydrophobicContact CG-CD1 4.48Å; F53-I144 WeakPolarHBondContact O-CD1 3.1Å; F53-L193 HydrophobicContact CD1-CD1 3.92Å; F53-L193 HydrophobicContact CE1-CD1 3.75Å
54	Q	90.8	Very high	76	Confident	42 Å²	42	71 Å²	71	20%	0.196	41%	0.409	C	S	.	.			trans	-70.2	121.4	172.3	-172.1	172.3	-0.8	0	0	110.9	Y51 A56 I68 K195	Y51-Q54 HydrophobicContact CD1-CB 4.11Å; Q54-A56 WeakPolarHBondContact CG-O 3.33Å; Q54-A56 PolarHBondContact NE2-O 3.35Å; Q54-I68 HydrophobicContact CG-CD1 4.16Å; Q54-K195 PolarHBondContact O-NZ 3.11Å
55	V	90.4	Very high	74.1	Confident	23 Å²	23	72 Å²	72	14%	0.139	42%	0.418	C	S	.	.			trans	-105.7	-22.1	178.8	-59	0	0	0	0	114.2	F53 I144 D146 G182 Q184 L259	F53-V55 PolarHBondContact O-N 3.37Å; V55-I144 HydrophobicContact CG1-CB 3.83Å; V55-I144 HydrophobicContact CG1-CD1 4.47Å; V55-I144 HydrophobicContact CG1-CG2 3.87Å; V55-I144 HydrophobicContact CG2-CG2 3.84Å; V55-D146 HydrophobicContact CG2-CB 3.88Å; V55-G182 WeakPolarHBondContact O-CA 3.41Å; V55-Q184 HydrophobicContact CG1-CB 3.5Å; V55-Q184 VanDerWaalsContact CG1-CB 3.5Å; V55-L259 HydrophobicContact CG2-CD1 4.34Å
56	A	86.2	Confident	72.7	Confident	28 Å²	28	73.8 Å²	73.8	23%	0.231	42%	0.423	C	S	.	.	S	Bend	trans	-138.5	169.8	-178.6	0	0	0	0	0	111.5	Q54 D146	Q54-A56 WeakPolarHBondContact CG-O 3.33Å; Q54-A56 PolarHBondContact NE2-O 3.35Å; A56-D146 HydrophobicContact CB-CB 4.24Å
57	G	77.8	Confident	72.3	Confident	50 Å²	50	69.7 Å²	69.7	52%	0.515	39%	0.393	S	S	.	.	S	Bend	trans	100.7	-161.3	-178.5	0	0	0	0	0	113.8
58	H	66.2	Low	72.5	Confident	115 Å²	115	68.5 Å²	68.5	53%	0.532	38%	0.383	S	S	.	.			trans	-107.3	83	-177	-68.8	-78.7	0	0	0	110.4	R60	H58-R60 PolarHBondContact O-N 3.05Å
59	S	55.9	Low	72.7	Confident	75 Å²	75	67.9 Å²	67.9	52%	0.524	38%	0.378	S	S	.	.			trans	-80.1	103.2	156.5	53.8	0	0	0	0	106.8	E61	S59-E61 PolarHBondContact O-N 2.85Å
60	R	49.9	Very low	72.8	Confident	165 Å²	165	67.3 Å²	67.3	62%	0.623	37%	0.373	S	S	*	.			trans	-79.6	115.7	170.4	-69.6	-177.6	100.6	171.2	4.3	106.2	H58 N62 A63	H58-R60 PolarHBondContact O-N 3.05Å; R60-N62 PolarHBondContact O-N 3.37Å; R60-A63 HydrophobicContact CB-CB 4.03Å; R60-A63 PolarHBondContact O-N 3.41Å; R60-A63 VanDerWaalsContact O-N 3.11Å
61	E	42.8	Very low	73	Confident	173 Å²	173	64.5 Å²	64.5	81%	0.808	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-12.9	-176.6	-69.3	174.8	166.1	0	0	114.4	S59	S59-E61 PolarHBondContact O-N 2.85Å
62	N	40.3	Very low	73	Confident	162 Å²	162	69.3 Å²	69.3	87%	0.866	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	21.8	-177.2	-67	-29	0	0	0	114.6	R60	R60-N62 PolarHBondContact O-N 3.37Å
63	A	46.6	Very low	73.2	Confident	21 Å²	21	70.6 Å²	70.6	17%	0.174	38%	0.38	C	S	.	.			trans	-135.2	95.6	179.4	0	0	0	0	0	112.3	R60 S65 F66	R60-A63 HydrophobicContact CB-CB 4.03Å; R60-A63 PolarHBondContact O-N 3.41Å; R60-A63 VanDerWaalsContact O-N 3.11Å; A63-S65 PolarHBondContact O-N 3.29Å; A63-F66 HydrophobicContact CB-CD2 3.43Å; A63-F66 VanDerWaalsContact CB-CD2 3.43Å; A63-F66 HydrophobicContact CB-CE2 3.77Å; A63-F66 PolarHBondContact O-N 3.44Å
64	S	47.8	Very low	73.3	Confident	109 Å²	109	74.6 Å²	74.6	76%	0.762	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-55	-20.3	177.6	53.9	0	0	0	0	114.5	F66	S64-F66 VanDerWaalsContact C-N 3.3Å; S64-F66 PolarHBondContact O-N 3.47Å
65	S	51.7	Low	73.6	Confident	37 Å²	37	76 Å²	76	26%	0.259	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-81.9	1.5	-173.8	54.9	0	0	0	0	115.2	A63 Y129	A63-S65 PolarHBondContact O-N 3.29Å; S65-Y129 PolarHBondContact O-OH 3.47Å
66	F	62	Low	73.9	Confident	71 Å²	71	75.9 Å²	75.9	31%	0.311	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-131.8	2.7	-164	-61	-49	0	0	0	115.1	A63 S64 Q82	A63-F66 HydrophobicContact CB-CD2 3.43Å; A63-F66 VanDerWaalsContact CB-CD2 3.43Å; A63-F66 HydrophobicContact CB-CE2 3.77Å; A63-F66 PolarHBondContact O-N 3.44Å; S64-F66 VanDerWaalsContact C-N 3.3Å; S64-F66 PolarHBondContact O-N 3.47Å; F66-Q82 HydrophobicContact CB-CG 4.32Å; F66-Q82 HydrophobicContact CD1-CG 3.89Å; F66-Q82 HydrophobicContact CG-CG 4.38Å; F66-Q82 PolarHBondContact O-NE2 3.42Å
67	E	79.6	Confident	74.4	Confident	60 Å²	60	75.4 Å²	75.4	28%	0.28	40%	0.402	S	S	.	.	S	Bend	trans	-75.4	153.7	-179.9	-61.8	-175.5	168.6	0	0	111.5	S50 L69	S50-E67 VanDerWaalsContact CB-OE2 3.3Å; S50-E67 WeakPolarHBondContact CB-OE2 3.47Å; S50-E67 PolarHBondContact OG-OE2 3.03Å; E67-L69 PolarHBondContact O-N 2.97Å
68	I	91	Very high	75.3	Confident	25 Å²	25	73.2 Å²	73.2	13%	0.128	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-69	129.2	162.1	-61.1	177.1	0	0	0	106.2	Y51 Q54 I77 Y78 K79	Y51-I68 WeakPolarHBondContact CB-O 3.34Å; Y51-I68 HydrophobicContact CD1-CB 4.29Å; Y51-I68 HydrophobicContact CD1-CG2 3.94Å; Y51-I68 HydrophobicContact CG-CB 4.43Å; Y51-I68 HydrophobicContact CG-CG2 3.91Å; Y51-I68 PolarHBondContact N-O 2.7Å; Q54-I68 HydrophobicContact CG-CD1 4.16Å; I68-I77 HydrophobicContact CG2-CB 3.88Å; I68-I77 HydrophobicContact CG2-CD1 3.98Å; I68-I77 HydrophobicContact CG2-CG1 4.42Å; I68-I77 HydrophobicContact CG2-CG2 4.33Å; I68-Y78 WeakPolarHBondContact CA-O 3.38Å; I68-K79 HydrophobicContact CG1-CG 4.44Å
69	L	93.1	Very high	76.6	Confident	22 Å²	22	70 Å²	70	12%	0.115	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.9	176.1	-52	172.5	0	0	0	109.7	L44 E49 E67 I77 Y78 Y129	L44-L69 HydrophobicContact CD2-CD1 3.74Å; E49-L69 CarbonylContact O-C 3.58Å; E49-L69 WeakPolarHBondContact O-CA 3.45Å; E67-L69 PolarHBondContact O-N 2.97Å; L69-I77 CarbonylContact O-C 3.56Å; L69-I77 WeakPolarHBondContact O-CA 3.2Å; L69-I77 WeakPolarHBondContact O-CB 3.46Å; L69-Y78 PolarHBondContact N-O 2.84Å; L69-Y78 PolarHBondContact O-N 2.84Å; L69-Y129 HydrophobicContact CD1-CD1 4.44Å; L69-Y129 HydrophobicContact CD1-CE1 3.77Å; L69-Y129 HydrophobicContact CG-CE1 4.05Å
70	R	94.1	Very high	78.2	Confident	66 Å²	66	67.1 Å²	67.1	25%	0.249	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.1	174.1	-167.8	-172.8	-171	-158.4	-1.2	109.8	T48 E49 Y51 I77 D134	T48-R70 CarbonylContact C-O 3.54Å; T48-R70 WeakPolarHBondContact CA-O 3.44Å; E49-R70 HydrophobicContact CG-CB 4.37Å; E49-R70 PolarHBondContact N-O 3.08Å; E49-R70 PolarHBondContact O-N 2.96Å; Y51-R70 HydrophobicContact CD2-CB 4.12Å; Y51-R70 HydrophobicContact CD2-CG 4.34Å; R70-I77 HydrophobicContact CG-CG2 4.45Å; R70-D134 IonicContact CZ-OD2 2.68Å; R70-D134 IonicContact NE-OD2 3.16Å; R70-D134 PolarHBondContact NE-OD2 2.92Å; R70-D134 IonicContact NH2-OD2 3.28Å; R70-D134 PolarHBondContact NH2-OD2 3.15Å
71	D	94.6	Very high	80.1	Confident	3 Å²	3	60 Å²	60	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.2	165.7	-165.1	-45.5	0	0	0	109.4	S73 K74 I76 Y78	D71-S73 PolarHBondContact O-N 3.38Å; D71-S73 WeakPolarHBondContact OD1-CA 3.48Å; D71-S73 WeakPolarHBondContact OD1-CB 3.43Å; D71-S73 PolarHBondContact OD1-N 2.81Å; D71-S73 PolarHBondContact OD1-OG 3.46Å; D71-K74 HydrophobicContact CB-CB 4.14Å; D71-K74 PolarHBondContact OD1-N 3.47Å; D71-I76 HydrophobicContact CB-CB 4.34Å; D71-I76 PolarHBondContact N-O 3.44Å; D71-Y78 HydrophobicContact CB-CE2 4.02Å
72	K	91.8	Very high	81.4	Confident	126 Å²	126	54.8 Å²	54.8	55%	0.548	29%	0.292	S	S	.	.	S	Bend	trans	-69.4	-19.4	179.4	-64.5	-178.3	-168.1	-122.3	0	113.5	C47 E49	C47-K72 WeakPolarHBondContact O-CG 3.34Å; C47-K72 PolarHBondContact O-N 2.88Å; E49-K72 HydrophobicContact CG-CG 4.02Å; E49-K72 WeakPolarHBondContact OE2-CE 3.23Å; E49-K72 IonicContact OE2-NZ 3.62Å; E49-K72 PolarHBondContact OE2-NZ 3.39Å
73	S	92.9	Very high	82.9	Confident	83 Å²	83	51.3 Å²	51.3	58%	0.58	27%	0.273	S	S	*	.	S	Bend	trans	-107	-13.3	-172.6	69.9	0	0	0	0	113.9	D71	D71-S73 PolarHBondContact O-N 3.38Å; D71-S73 WeakPolarHBondContact OD1-CA 3.48Å; D71-S73 WeakPolarHBondContact OD1-CB 3.43Å; D71-S73 PolarHBondContact OD1-N 2.81Å; D71-S73 PolarHBondContact OD1-OG 3.46Å
74	K	94.8	Very high	84	Confident	111 Å²	111	58 Å²	58	48%	0.483	29%	0.294	S	S	.	.	S	Bend	trans	-138.1	151.7	-172.3	-64.5	172.4	-170.3	170.7	0	110.5	D71 I76	D71-K74 HydrophobicContact CB-CB 4.14Å; D71-K74 PolarHBondContact OD1-N 3.47Å; K74-I76 HydrophobicContact CB-CB 4.39Å; K74-I76 HydrophobicContact CB-CD1 4.17Å; K74-I76 HydrophobicContact CB-CG1 4.11Å; K74-I76 HydrophobicContact CD-CD1 4.17Å; K74-I76 PolarHBondContact O-N 2.86Å
75	P	96	Very high	85.6	Confident	72 Å²	72	57.6 Å²	57.6	47%	0.468	28%	0.28	S	S	.	.	S	Bend	trans	-75.9	57.8	173.3	34.5	-37	0	0	0	111	D134 A137	P75-D134 VanDerWaalsContact C-CB 3.48Å; P75-D134 PolarHBondContact O-N 2.88Å; P75-A137 HydrophobicContact CB-CB 3.52Å
76	I	97.3	Very high	87.2	Confident	20 Å²	20	60.4 Å²	60.4	10%	0.103	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.2	-176.7	-62.9	178.6	0	0	0	109.4	D71 K74 Y78 Y117 A131 L132	D71-I76 HydrophobicContact CB-CB 4.34Å; D71-I76 PolarHBondContact N-O 3.44Å; K74-I76 HydrophobicContact CB-CB 4.39Å; K74-I76 HydrophobicContact CB-CD1 4.17Å; K74-I76 HydrophobicContact CB-CG1 4.11Å; K74-I76 HydrophobicContact CD-CD1 4.17Å; K74-I76 PolarHBondContact O-N 2.86Å; I76-Y78 HydrophobicContact CG2-CE1 4.26Å; I76-Y78 HydrophobicContact CG2-CE2 4.17Å; I76-Y117 HydrophobicContact CD1-CD2 4.04Å; I76-Y117 HydrophobicContact CD1-CE2 4.15Å; I76-Y117 HydrophobicContact CD1-CG 4.3Å; I76-Y117 HydrophobicContact CG1-CD2 4.04Å; I76-Y117 HydrophobicContact CG1-CE2 3.86Å; I76-Y117 HydrophobicContact CG2-CD2 4.4Å; I76-A131 HydrophobicContact CG2-CB 4.08Å; I76-L132 CarbonylContact C-O 3.54Å; I76-L132 WeakPolarHBondContact CA-O 3.27Å
77	I	96.8	Very high	88.5	Confident	18 Å²	18	57.2 Å²	57.2	9%	0.092	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	152	166.1	61.7	168.3	0	0	0	110.9	Y51 I68 L69 R70 A131 L132 D134	Y51-I77 HydrophobicContact CD2-CG2 3.72Å; Y51-I77 HydrophobicContact CE2-CG2 3.68Å; Y51-I77 HydrophobicContact CG-CG2 4.34Å; I68-I77 HydrophobicContact CG2-CB 3.88Å; I68-I77 HydrophobicContact CG2-CD1 3.98Å; I68-I77 HydrophobicContact CG2-CG1 4.42Å; I68-I77 HydrophobicContact CG2-CG2 4.33Å; L69-I77 CarbonylContact O-C 3.56Å; L69-I77 WeakPolarHBondContact O-CA 3.2Å; L69-I77 WeakPolarHBondContact O-CB 3.46Å; R70-I77 HydrophobicContact CG-CG2 4.45Å; I77-A131 CarbonylContact O-C 3.35Å; I77-A131 WeakPolarHBondContact O-CA 3.31Å; I77-L132 HydrophobicContact CG1-CB 4.08Å; I77-L132 PolarHBondContact N-O 3.12Å; I77-L132 PolarHBondContact O-N 3.04Å; I77-D134 HydrophobicContact CG2-CB 3.86Å
78	Y	95.2	Very high	88.9	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	106	174.5	-62.1	-79.6	0	0	0	108.6	L44 P45 T48 I68 L69 D71 I76 F120 Y129 M130 A131	L44-Y78 HydrophobicContact CD1-CD1 3.44Å; L44-Y78 VanDerWaalsContact CD1-CD1 3.44Å; L44-Y78 HydrophobicContact CD1-CD2 3.9Å; L44-Y78 HydrophobicContact CD1-CE1 3.95Å; L44-Y78 HydrophobicContact CD1-CE2 4.35Å; L44-Y78 HydrophobicContact CD1-CG 3.44Å; L44-Y78 VanDerWaalsContact CD1-CG 3.44Å; P45-Y78 HydrophobicContact CG-CE2 4.25Å; P45-Y78 VanDerWaalsContact CG-OH 3.26Å; P45-Y78 WeakPolarHBondContact CG-OH 3.47Å; T48-Y78 HydrophobicContact CG2-CD2 3.89Å; T48-Y78 HydrophobicContact CG2-CE2 3.93Å; I68-Y78 WeakPolarHBondContact CA-O 3.38Å; L69-Y78 PolarHBondContact N-O 2.84Å; L69-Y78 PolarHBondContact O-N 2.84Å; D71-Y78 HydrophobicContact CB-CE2 4.02Å; I76-Y78 HydrophobicContact CG2-CE1 4.26Å; I76-Y78 HydrophobicContact CG2-CE2 4.17Å; Y78-F120 HydrophobicContact CD1-CD2 4.29Å; Y78-F120 HydrophobicContact CD1-CG 4.38Å; Y78-F120 HydrophobicContact CE1-CD1 4.25Å; Y78-F120 AromaticContact CE1-CD2 3.88Å; Y78-F120 HydrophobicContact CE1-CD2 3.88Å; Y78-F120 HydrophobicContact CE1-CE1 4.49Å; Y78-F120 HydrophobicContact CE1-CE2 4.18Å; Y78-F120 AromaticContact CE1-CG 3.95Å; Y78-F120 HydrophobicContact CE1-CG 3.95Å; Y78-F120 HydrophobicContact CE1-CZ 4.47Å; Y78-Y129 WeakPolarHBondContact O-CD1 3.5Å; Y78-M130 WeakPolarHBondContact CA-O 3.5Å; Y78-A131 HydrophobicContact CD1-CB 3.84Å; Y78-A131 HydrophobicContact CE1-CB 3.64Å
79	K	93.4	Very high	88.9	Confident	48 Å²	48	53.9 Å²	53.9	21%	0.209	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.4	176.6	-173.9	-177.6	-177.5	-173.7	0	109.5	I68 L81 E90 Y129 M130	I68-K79 HydrophobicContact CG1-CG 4.44Å; K79-L81 PolarHBondContact O-N 2.96Å; K79-E90 WeakPolarHBondContact CE-OE2 3.36Å; K79-E90 IonicContact NZ-OE1 2.89Å; K79-E90 PolarHBondContact NZ-OE1 3.04Å; K79-E90 IonicContact NZ-OE2 3.81Å; K79-E90 PolarHBondContact NZ-OE2 3.46Å; K79-Y129 CarbonylContact O-C 3.56Å; K79-Y129 WeakPolarHBondContact O-CA 3.31Å; K79-M130 HydrophobicContact CD-CE 4.12Å; K79-M130 PolarHBondContact N-O 2.9Å; K79-M130 PolarHBondContact O-N 3.32Å
80	S	90.5	Very high	88.9	Confident	14 Å²	14	53.1 Å²	53.1	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	133	176.2	-177.7	0	0	0	0	111.3	Q82	S80-Q82 PolarHBondContact O-N 2.87Å
81	L	88.9	Confident	89	Confident	15 Å²	15	50 Å²	50	8%	0.079	24%	0.24	C	C	.	.			trans	-82.1	62.2	175.3	-59.6	-173.6	0	0	0	110.6	F38 K79 M88 V91 V119 Y128 M130	F38-L81 HydrophobicContact CE2-CD1 4.39Å; F38-L81 HydrophobicContact CZ-CD1 4.33Å; K79-L81 PolarHBondContact O-N 2.96Å; L81-M88 HydrophobicContact CB-CE 3.98Å; L81-M88 HydrophobicContact CD1-CE 3.46Å; L81-M88 VanDerWaalsContact CD1-CE 3.46Å; L81-M88 HydrophobicContact CG-CE 4.31Å; L81-V91 HydrophobicContact CD1-CG2 3.63Å; L81-V91 HydrophobicContact CD2-CG2 3.77Å; L81-V91 HydrophobicContact CG-CG2 4.38Å; L81-V119 HydrophobicContact CD1-CG1 4.12Å; L81-V119 HydrophobicContact CD1-CG2 4.42Å; L81-Y128 PolarHBondContact N-O 3.34Å; L81-M130 HydrophobicContact CD2-CB 3.72Å; L81-M130 HydrophobicContact CG-CB 4.43Å
82	Q	70.1	Confident	88.9	Confident	64 Å²	64	53.8 Å²	53.8	30%	0.299	26%	0.259	S	S	.	.			trans	-65.1	146.6	176.6	-58.6	-179.9	30.3	0	0	110.7	F66 S80	F66-Q82 HydrophobicContact CB-CG 4.32Å; F66-Q82 HydrophobicContact CD1-CG 3.89Å; F66-Q82 HydrophobicContact CG-CG 4.38Å; F66-Q82 PolarHBondContact O-NE2 3.42Å; S80-Q82 PolarHBondContact O-N 2.87Å
83	D	72.1	Confident	89.1	Confident	88 Å²	88	47.8 Å²	47.8	47%	0.471	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	84.7	-176.7	-174	-3.5	0	0	0	109.9	E85 R86 G87	D83-E85 CarbonylContact O-C 3.5Å; D83-E85 PolarHBondContact O-N 2.8Å; D83-R86 HydrophobicContact CB-CB 4.32Å; D83-R86 HydrophobicContact CB-CG 4.29Å; D83-R86 WeakPolarHBondContact O-CA 3.44Å; D83-R86 PolarHBondContact O-N 3.13Å; D83-R86 VanDerWaalsContact OD2-CD 3.29Å; D83-R86 WeakPolarHBondContact OD2-CD 3.31Å; D83-R86 IonicContact OD2-CZ 3.34Å; D83-R86 IonicContact OD2-NE 2.79Å; D83-R86 PolarHBondContact OD2-NE 3.16Å; D83-R86 IonicContact OD2-NH2 3.41Å; D83-G87 PolarHBondContact O-N 2.91Å; D83-G87 VanDerWaalsContact O-N 3.08Å
84	R	70.8	Confident	89.3	Confident	162 Å²	162	43.9 Å²	43.9	61%	0.611	21%	0.205	S	C	*	.	H	α-helix	trans	-40.8	-44.3	-164.5	-72.9	-174.5	179.4	179.7	0.5	112.5	L31 M88	L31-R84 HydrophobicContact CD1-CB 4.05Å; R84-M88 VanDerWaalsContact O-CB 3.27Å; R84-M88 WeakPolarHBondContact O-CB 3.24Å; R84-M88 WeakPolarHBondContact O-CG 3.48Å; R84-M88 PolarHBondContact O-N 3.35Å
85	E	81.7	Confident	89.3	Confident	100 Å²	100	42.4 Å²	42.4	47%	0.467	20%	0.2	S	C	.	.	H	α-helix	trans	-58.9	-49.9	177.8	-69.2	-177.4	-172.8	0	0	113.6	L31 D83 R89	L31-E85 HydrophobicContact CD1-CB 4.15Å; L31-E85 HydrophobicContact CD1-CG 3.2Å; L31-E85 HydrophobicContact CG-CG 4.27Å; D83-E85 CarbonylContact O-C 3.5Å; D83-E85 PolarHBondContact O-N 2.8Å; E85-R89 WeakPolarHBondContact O-CG 3.19Å; E85-R89 PolarHBondContact O-N 2.92Å
86	R	84.9	Confident	89.3	Confident	97 Å²	97	41.1 Å²	41.1	37%	0.366	19%	0.192	S	C	.	.	H	α-helix	trans	-66.8	-46.7	-179.4	-63.2	-170.3	-163.5	-166.8	4	111.6	D83 M88 R89 E90 A366	D83-R86 HydrophobicContact CB-CB 4.32Å; D83-R86 HydrophobicContact CB-CG 4.29Å; D83-R86 WeakPolarHBondContact O-CA 3.44Å; D83-R86 PolarHBondContact O-N 3.13Å; D83-R86 VanDerWaalsContact OD2-CD 3.29Å; D83-R86 WeakPolarHBondContact OD2-CD 3.31Å; D83-R86 IonicContact OD2-CZ 3.34Å; D83-R86 IonicContact OD2-NE 2.79Å; D83-R86 PolarHBondContact OD2-NE 3.16Å; D83-R86 IonicContact OD2-NH2 3.41Å; R86-M88 VanDerWaalsContact C-N 3.33Å; R86-M88 PolarHBondContact O-N 2.71Å; R86-R89 PolarHBondContact O-N 3.41Å; R86-E90 PolarHBondContact O-N 2.9Å; R86-A366 HydrophobicContact CB-CB 4.15Å
87	G	88.1	Confident	89.2	Confident	4 Å²	4	40.1 Å²	40.1	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-44.6	177	0	0	0	0	0	111.7	D83 E90 V91	D83-G87 PolarHBondContact O-N 2.91Å; D83-G87 VanDerWaalsContact O-N 3.08Å; G87-E90 PolarHBondContact O-N 2.68Å; G87-V91 WeakPolarHBondContact O-CG2 3.48Å; G87-V91 PolarHBondContact O-N 3.16Å
88	M	88.6	Confident	89.3	Confident	4 Å²	4	42 Å²	42	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-42.8	177.5	-72	-38.2	87.2	0	0	111.6	V29 L31 T34 F38 L81 R84 R86 E90 V91 M92	V29-M88 HydrophobicContact CG1-CB 4.29Å; L31-M88 HydrophobicContact CD2-CB 4.18Å; L31-M88 HydrophobicContact CD2-CG 3.43Å; L31-M88 VanDerWaalsContact CD2-CG 3.43Å; T34-M88 HydrophobicContact CG2-CE 4.4Å; T34-M88 HydrophobicContact CG2-SD 3.87Å; F38-M88 HydrophobicContact CD2-SD 4.4Å; F38-M88 HydrophobicContact CE1-SD 4.26Å; F38-M88 HydrophobicContact CE2-CE 3.68Å; F38-M88 HydrophobicContact CE2-SD 3.21Å; F38-M88 WeakPolarHBondContact CE2-SD 3.33Å; F38-M88 HydrophobicContact CZ-CE 3.77Å; F38-M88 HydrophobicContact CZ-SD 3.12Å; F38-M88 WeakPolarHBondContact CZ-SD 3.46Å; L81-M88 HydrophobicContact CB-CE 3.98Å; L81-M88 HydrophobicContact CD1-CE 3.46Å; L81-M88 VanDerWaalsContact CD1-CE 3.46Å; L81-M88 HydrophobicContact CG-CE 4.31Å; R84-M88 VanDerWaalsContact O-CB 3.27Å; R84-M88 WeakPolarHBondContact O-CB 3.24Å; R84-M88 WeakPolarHBondContact O-CG 3.48Å; R84-M88 PolarHBondContact O-N 3.35Å; R86-M88 VanDerWaalsContact C-N 3.33Å; R86-M88 PolarHBondContact O-N 2.71Å; M88-E90 VanDerWaalsContact C-N 3.28Å; M88-E90 PolarHBondContact O-N 3.04Å; M88-V91 PolarHBondContact O-N 3Å; M88-V91 VanDerWaalsContact O-N 3.15Å; M88-M92 WeakPolarHBondContact O-CG 3.34Å; M88-M92 PolarHBondContact O-N 2.68Å
89	R	90.8	Very high	89.3	Confident	10 Å²	10	43.5 Å²	43.5	4%	0.038	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-39.1	177.5	-76.5	-169.4	-56.1	-107	18.7	112.7	E26 V29 E85 R86 M92 F93 A366 W368	E26-R89 IonicContact OE1-NH2 2.87Å; E26-R89 IonicContact OE2-CZ 2.64Å; E26-R89 IonicContact OE2-NH1 2.93Å; E26-R89 PolarHBondContact OE2-NH1 3.37Å; E26-R89 IonicContact OE2-NH2 3.74Å; E26-R89 PolarHBondContact OE2-NH2 3.01Å; V29-R89 HydrophobicContact CG2-CG 3.61Å; E85-R89 WeakPolarHBondContact O-CG 3.19Å; E85-R89 PolarHBondContact O-N 2.92Å; R86-R89 PolarHBondContact O-N 3.41Å; R89-M92 PolarHBondContact O-N 2.78Å; R89-F93 PolarHBondContact O-N 2.82Å; R89-A366 PolarHBondContact NE-O 2.79Å; R89-W368 PolarHBondContact O-NE1 2.88Å
90	E	94.3	Very high	89.4	Confident	7 Å²	7	46.6 Å²	46.6	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-39.7	175.9	-164.6	173.6	-161.8	0	0	111.3	K79 R86 G87 M88 F93 Y94 M130 F365 A366	K79-E90 WeakPolarHBondContact CE-OE2 3.36Å; K79-E90 IonicContact NZ-OE1 2.89Å; K79-E90 PolarHBondContact NZ-OE1 3.04Å; K79-E90 IonicContact NZ-OE2 3.81Å; K79-E90 PolarHBondContact NZ-OE2 3.46Å; R86-E90 PolarHBondContact O-N 2.9Å; G87-E90 PolarHBondContact O-N 2.68Å; M88-E90 VanDerWaalsContact C-N 3.28Å; M88-E90 PolarHBondContact O-N 3.04Å; E90-F93 WeakPolarHBondContact O-CB 3.42Å; E90-F93 PolarHBondContact O-N 3.2Å; E90-Y94 HydrophobicContact CG-CD2 4.17Å; E90-Y94 HydrophobicContact CG-CE2 3.96Å; E90-Y94 VanDerWaalsContact O-CD2 3.28Å; E90-Y94 WeakPolarHBondContact O-CD2 3.41Å; E90-Y94 PolarHBondContact O-N 2.79Å; E90-Y94 VanDerWaalsContact O-N 3.15Å; E90-M130 HydrophobicContact CB-CE 4.48Å; E90-M130 HydrophobicContact CG-CE 3.83Å; E90-F365 HydrophobicContact CG-CB 4.17Å; E90-F365 PolarHBondContact OE1-N 3.16Å; E90-A366 HydrophobicContact CB-CB 4.35Å
91	V	94.4	Very high	89.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-45.7	172.9	173.2	0	0	0	0	111.5	F38 L81 G87 M88 F93 Y94 Q95 Y116 V119 M130	F38-V91 HydrophobicContact CE1-CB 4.38Å; F38-V91 HydrophobicContact CE1-CG1 3.62Å; F38-V91 HydrophobicContact CZ-CB 4.34Å; F38-V91 HydrophobicContact CZ-CG1 4.04Å; F38-V91 HydrophobicContact CZ-CG2 4.34Å; L81-V91 HydrophobicContact CD1-CG2 3.63Å; L81-V91 HydrophobicContact CD2-CG2 3.77Å; L81-V91 HydrophobicContact CG-CG2 4.38Å; G87-V91 WeakPolarHBondContact O-CG2 3.48Å; G87-V91 PolarHBondContact O-N 3.16Å; M88-V91 PolarHBondContact O-N 3Å; M88-V91 VanDerWaalsContact O-N 3.15Å; V91-F93 VanDerWaalsContact C-N 3.26Å; V91-F93 PolarHBondContact O-N 3.36Å; V91-Y94 PolarHBondContact O-N 2.96Å; V91-Y94 VanDerWaalsContact O-N 3.14Å; V91-Q95 HydrophobicContact CG1-CG 4.1Å; V91-Q95 WeakPolarHBondContact O-CG 3.46Å; V91-Q95 PolarHBondContact O-N 3.26Å; V91-Y116 WeakPolarHBondContact CG1-OH 3.2Å; V91-V119 HydrophobicContact CB-CG2 4.47Å; V91-V119 HydrophobicContact CG1-CG2 3.72Å; V91-V119 HydrophobicContact CG2-CG2 3.85Å; V91-M130 HydrophobicContact CG2-CB 4.24Å; V91-M130 HydrophobicContact CG2-SD 3.98Å
92	M	93.8	Very high	89.9	Confident	83 Å²	83	52.8 Å²	52.8	41%	0.409	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-39.6	176.9	-70.6	178.9	74.6	0	0	111.6	V29 M88 R89 Q95 S96 W368	V29-M92 HydrophobicContact CG1-SD 4.49Å; V29-M92 HydrophobicContact CG2-SD 4.14Å; M88-M92 WeakPolarHBondContact O-CG 3.34Å; M88-M92 PolarHBondContact O-N 2.68Å; R89-M92 PolarHBondContact O-N 2.78Å; M92-Q95 PolarHBondContact O-N 3.14Å; M92-S96 WeakPolarHBondContact O-CB 3.47Å; M92-S96 PolarHBondContact O-N 3.16Å; M92-S96 PolarHBondContact O-OG 2.68Å; M92-S96 VanDerWaalsContact O-OG 3.1Å; M92-W368 HydrophobicContact CB-CZ2 4.48Å
93	F	95.3	Very high	91.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-53.9	173.4	173.9	-99.8	0	0	0	111.6	R89 E90 V91 Q95 S96 V97 L109 I113 F253 F365 W368	R89-F93 PolarHBondContact O-N 2.82Å; E90-F93 WeakPolarHBondContact O-CB 3.42Å; E90-F93 PolarHBondContact O-N 3.2Å; V91-F93 VanDerWaalsContact C-N 3.26Å; V91-F93 PolarHBondContact O-N 3.36Å; F93-Q95 VanDerWaalsContact C-N 3.32Å; F93-Q95 PolarHBondContact O-N 3.44Å; F93-S96 PolarHBondContact O-N 3.32Å; F93-V97 HydrophobicContact CD1-CG2 4.21Å; F93-V97 HydrophobicContact CD2-CG2 4.28Å; F93-V97 HydrophobicContact CE1-CG2 3.77Å; F93-V97 HydrophobicContact CE2-CG2 3.86Å; F93-V97 HydrophobicContact CG-CG2 4.45Å; F93-V97 HydrophobicContact CZ-CG2 3.61Å; F93-V97 WeakPolarHBondContact O-CG2 3.44Å; F93-V97 PolarHBondContact O-N 2.83Å; F93-L109 HydrophobicContact CE2-CD2 4.19Å; F93-L109 HydrophobicContact CZ-CD2 3.65Å; F93-I113 HydrophobicContact CE1-CD1 4.02Å; F93-F253 AromaticContact CE2-CE1 3.87Å; F93-F253 HydrophobicContact CE2-CE1 3.87Å; F93-F253 HydrophobicContact CZ-CE1 4.22Å; F93-F365 HydrophobicContact CB-CB 4.05Å; F93-F365 HydrophobicContact CD1-CB 3.36Å; F93-F365 HydrophobicContact CD1-CD1 4.15Å; F93-F365 AromaticContact CD1-CD2 3.48Å; F93-F365 HydrophobicContact CD1-CD2 3.48Å; F93-F365 VanDerWaalsContact CD1-CD2 3.48Å; F93-F365 HydrophobicContact CD1-CE2 4.27Å; F93-F365 AromaticContact CD1-CG 3.39Å; F93-F365 HydrophobicContact CD1-CG 3.39Å; F93-F365 HydrophobicContact CD2-CB 4.14Å; F93-F365 HydrophobicContact CD2-CG 4.43Å; F93-F365 HydrophobicContact CE1-CB 3.73Å; F93-F365 AromaticContact CE1-CD1 3.59Å; F93-F365 HydrophobicContact CE1-CD1 3.59Å; F93-F365 AromaticContact CE1-CD2 3.17Å; F93-F365 HydrophobicContact CE1-CD2 3.17Å; F93-F365 AromaticContact CE1-CE1 3.92Å; F93-F365 HydrophobicContact CE1-CE1 3.92Å; F93-F365 AromaticContact CE1-CE2 3.53Å; F93-F365 HydrophobicContact CE1-CE2 3.53Å; F93-F365 AromaticContact CE1-CG 3.19Å; F93-F365 HydrophobicContact CE1-CG 3.19Å; F93-F365 AromaticContact CE1-CZ 3.89Å; F93-F365 HydrophobicContact CE1-CZ 3.89Å; F93-F365 HydrophobicContact CE2-CB 4.45Å; F93-F365 HydrophobicContact CE2-CD1 4.08Å; F93-F365 HydrophobicContact CE2-CG 4.27Å; F93-F365 HydrophobicContact CG-CB 3.57Å; F93-F365 HydrophobicContact CG-CD2 4.49Å; F93-F365 HydrophobicContact CG-CG 4.01Å; F93-F365 HydrophobicContact CZ-CB 4.23Å; F93-F365 AromaticContact CZ-CD1 3.52Å; F93-F365 HydrophobicContact CZ-CD1 3.52Å; F93-F365 AromaticContact CZ-CD2 4Å; F93-F365 HydrophobicContact CZ-CD2 4Å; F93-F365 AromaticContact CZ-CE1 3.75Å; F93-F365 HydrophobicContact CZ-CE1 3.75Å; F93-F365 HydrophobicContact CZ-CE2 4.2Å; F93-F365 AromaticContact CZ-CG 3.65Å; F93-F365 HydrophobicContact CZ-CG 3.65Å; F93-F365 HydrophobicContact CZ-CZ 4.07Å; F93-W368 HydrophobicContact CB-CD2 4.14Å; F93-W368 HydrophobicContact CB-CG 4.17Å; F93-W368 HydrophobicContact CB-CZ2 4.14Å; F93-W368 HydrophobicContact CD2-CB 4.32Å; F93-W368 AromaticContact CD2-CD2 3.7Å; F93-W368 HydrophobicContact CD2-CD2 3.7Å; F93-W368 HydrophobicContact CD2-CE3 4.01Å; F93-W368 AromaticContact CD2-CG 3.83Å; F93-W368 HydrophobicContact CD2-CG 3.83Å; F93-W368 HydrophobicContact CG-CD2 4.39Å; F93-W368 HydrophobicContact CG-CG 4.37Å
94	Y	97.2	Very high	92.2	Very high	1 Å²	1	52 Å²	52	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-40	-178.9	-81.9	-73.6	0	0	0	111.7	E90 V91 V97 F98 I113 P114 Y116 M130 L132 F365	E90-Y94 HydrophobicContact CG-CD2 4.17Å; E90-Y94 HydrophobicContact CG-CE2 3.96Å; E90-Y94 VanDerWaalsContact O-CD2 3.28Å; E90-Y94 WeakPolarHBondContact O-CD2 3.41Å; E90-Y94 PolarHBondContact O-N 2.79Å; E90-Y94 VanDerWaalsContact O-N 3.15Å; V91-Y94 PolarHBondContact O-N 2.96Å; V91-Y94 VanDerWaalsContact O-N 3.14Å; Y94-V97 PolarHBondContact O-N 3.12Å; Y94-F98 HydrophobicContact CD1-CD2 4.21Å; Y94-F98 AromaticContact CD1-CE2 3.91Å; Y94-F98 HydrophobicContact CD1-CE2 3.91Å; Y94-F98 HydrophobicContact CE1-CE2 4.48Å; Y94-F98 WeakPolarHBondContact O-CB 3.42Å; Y94-F98 WeakPolarHBondContact O-CD2 3.32Å; Y94-F98 PolarHBondContact O-N 3.37Å; Y94-I113 HydrophobicContact CD1-CD1 4.07Å; Y94-I113 HydrophobicContact CE1-CD1 3.81Å; Y94-I113 HydrophobicContact CE1-CG1 4.37Å; Y94-P114 VanDerWaalsContact CE1-O 3.32Å; Y94-P114 WeakPolarHBondContact CE1-O 3.3Å; Y94-Y116 HydrophobicContact CD1-CG 4.41Å; Y94-Y116 HydrophobicContact CG-CD2 4.05Å; Y94-Y116 HydrophobicContact CG-CG 4.21Å; Y94-M130 HydrophobicContact CD2-CE 3.94Å; Y94-M130 HydrophobicContact CD2-SD 3.4Å; Y94-M130 WeakPolarHBondContact CD2-SD 3.44Å; Y94-M130 HydrophobicContact CE2-CE 3.77Å; Y94-M130 HydrophobicContact CE2-SD 3.84Å; Y94-M130 HydrophobicContact CG-SD 4.2Å; Y94-L132 HydrophobicContact CD1-CD2 4.16Å; Y94-L132 HydrophobicContact CD2-CD2 4.25Å; Y94-L132 HydrophobicContact CE1-CD2 3.79Å; Y94-L132 HydrophobicContact CE2-CD1 4.2Å; Y94-L132 HydrophobicContact CE2-CD2 3.91Å; Y94-L132 HydrophobicContact CG-CD2 4.36Å; Y94-F365 HydrophobicContact CE1-CE2 4.49Å; Y94-F365 AromaticContact CE2-CD2 3.94Å; Y94-F365 HydrophobicContact CE2-CD2 3.94Å; Y94-F365 AromaticContact CZ-CD2 3.81Å; Y94-F365 AromaticContact CZ-CE2 3.99Å
95	Q	95.4	Very high	93.4	Very high	80 Å²	80	44.2 Å²	44.2	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-44.6	174.1	-72.6	175.8	-27.3	0	0	111.8	V91 M92 F93 F98 S99 Y116	V91-Q95 HydrophobicContact CG1-CG 4.1Å; V91-Q95 WeakPolarHBondContact O-CG 3.46Å; V91-Q95 PolarHBondContact O-N 3.26Å; M92-Q95 PolarHBondContact O-N 3.14Å; F93-Q95 VanDerWaalsContact C-N 3.32Å; F93-Q95 PolarHBondContact O-N 3.44Å; Q95-F98 PolarHBondContact O-N 3.2Å; Q95-S99 WeakPolarHBondContact O-CB 3.08Å; Q95-S99 PolarHBondContact O-N 2.92Å; Q95-Y116 HydrophobicContact CG-CE1 4.02Å
96	S	94.8	Very high	94.1	Very high	44 Å²	44	40.3 Å²	40.3	31%	0.308	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-43.8	174.4	-65.2	0	0	0	0	112	M92 F93 A102	M92-S96 WeakPolarHBondContact O-CB 3.47Å; M92-S96 PolarHBondContact O-N 3.16Å; M92-S96 PolarHBondContact O-OG 2.68Å; M92-S96 VanDerWaalsContact O-OG 3.1Å; F93-S96 PolarHBondContact O-N 3.32Å; S96-A102 WeakPolarHBondContact O-CB 3.43Å
97	V	97.2	Very high	94.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-42.7	180	173.5	0	0	0	0	111.9	F93 Y94 L106 L109 R110 I113	F93-V97 HydrophobicContact CD1-CG2 4.21Å; F93-V97 HydrophobicContact CD2-CG2 4.28Å; F93-V97 HydrophobicContact CE1-CG2 3.77Å; F93-V97 HydrophobicContact CE2-CG2 3.86Å; F93-V97 HydrophobicContact CG-CG2 4.45Å; F93-V97 HydrophobicContact CZ-CG2 3.61Å; F93-V97 WeakPolarHBondContact O-CG2 3.44Å; F93-V97 PolarHBondContact O-N 2.83Å; Y94-V97 PolarHBondContact O-N 3.12Å; V97-L106 HydrophobicContact CG2-CD2 3.65Å; V97-L109 HydrophobicContact CG2-CD2 4.2Å; V97-R110 HydrophobicContact CG1-CG 3.67Å; V97-R110 VanDerWaalsContact O-CZ 3.24Å; V97-R110 PolarHBondContact O-NE 3.32Å; V97-R110 PolarHBondContact O-NH2 2.99Å; V97-I113 HydrophobicContact CB-CD1 4.27Å; V97-I113 HydrophobicContact CG1-CD1 3.66Å; V97-I113 HydrophobicContact CG2-CD1 4.29Å
98	F	96.9	Very high	95.2	Very high	56 Å²	56	44.4 Å²	44.4	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-93.3	2.4	-176.1	-73.3	-83.8	0	0	0	113.9	Y94 Q95 R110 I113 T115	Y94-F98 HydrophobicContact CD1-CD2 4.21Å; Y94-F98 AromaticContact CD1-CE2 3.91Å; Y94-F98 HydrophobicContact CD1-CE2 3.91Å; Y94-F98 HydrophobicContact CE1-CE2 4.48Å; Y94-F98 WeakPolarHBondContact O-CB 3.42Å; Y94-F98 WeakPolarHBondContact O-CD2 3.32Å; Y94-F98 PolarHBondContact O-N 3.37Å; Q95-F98 PolarHBondContact O-N 3.2Å; F98-R110 HydrophobicContact CD1-CG 4.31Å; F98-R110 HydrophobicContact CE1-CB 4.32Å; F98-R110 HydrophobicContact CE1-CG 3.94Å; F98-R110 HydrophobicContact CZ-CB 4.39Å; F98-R110 HydrophobicContact CZ-CG 4.16Å; F98-I113 HydrophobicContact CE2-CD1 3.87Å; F98-I113 HydrophobicContact CE2-CG1 4.32Å; F98-I113 HydrophobicContact CZ-CD1 4.44Å; F98-I113 HydrophobicContact CZ-CG1 4.45Å; F98-T115 HydrophobicContact CE1-CG2 3.99Å; F98-T115 HydrophobicContact CZ-CG2 4.23Å
99	S	96	Very high	95.6	Very high	36 Å²	36	44.2 Å²	44.2	25%	0.252	23%	0.23	S	C	.	.	S	Bend	trans	-59.1	142.3	172.2	179.3	0	0	0	0	111.6	Q95 D101 A102 R110	Q95-S99 WeakPolarHBondContact O-CB 3.08Å; Q95-S99 PolarHBondContact O-N 2.92Å; S99-D101 PolarHBondContact O-N 3.4Å; S99-D101 PolarHBondContact OG-N 2.88Å; S99-A102 VanDerWaalsContact O-CB 3.26Å; S99-A102 WeakPolarHBondContact O-CB 3.19Å; S99-A102 PolarHBondContact O-N 2.86Å; S99-R110 PolarHBondContact O-NH2 2.79Å
100	P	95.3	Very high	95.9	Very high	114 Å²	114	47.4 Å²	47.4	74%	0.74	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.3	168.8	-25.2	35.3	0	0	0	112.9	A102	P100-A102 VanDerWaalsContact C-N 3.32Å; P100-A102 PolarHBondContact O-N 3.42Å
101	D	95.2	Very high	96.1	Very high	153 Å²	153	51.6 Å²	51.6	82%	0.818	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	12.3	-176.6	-55.2	-45.8	0	0	0	113.3	S99	S99-D101 PolarHBondContact O-N 3.4Å; S99-D101 PolarHBondContact OG-N 2.88Å
102	A	95.3	Very high	96.3	Very high	6 Å²	6	52.2 Å²	52.2	5%	0.05	26%	0.264	C	S	.	.			trans	-57.4	143.7	179.4	0	0	0	0	0	111.7	S96 S99 P100 L106 K107	S96-A102 WeakPolarHBondContact O-CB 3.43Å; S99-A102 VanDerWaalsContact O-CB 3.26Å; S99-A102 WeakPolarHBondContact O-CB 3.19Å; S99-A102 PolarHBondContact O-N 2.86Å; P100-A102 VanDerWaalsContact C-N 3.32Å; P100-A102 PolarHBondContact O-N 3.42Å; A102-L106 HydrophobicContact CB-CB 3.91Å; A102-L106 HydrophobicContact CB-CD1 4.4Å; A102-K107 HydrophobicContact CB-CG 4.12Å; A102-K107 WeakPolarHBondContact O-CE 3.42Å
103	S	95	Very high	96.5	Very high	38 Å²	38	48.4 Å²	48.4	27%	0.266	25%	0.246	S	C	.	.			trans	-60.6	164.3	173.1	73.4	0	0	0	0	111.9	A105 L106 K107 E250	S103-A105 PolarHBondContact O-N 3.3Å; S103-A105 PolarHBondContact OG-N 3.41Å; S103-L106 PolarHBondContact O-N 2.93Å; S103-L106 VanDerWaalsContact O-N 3.15Å; S103-L106 WeakPolarHBondContact OG-CG 3.31Å; S103-L106 PolarHBondContact OG-N 3.17Å; S103-K107 WeakPolarHBondContact O-CG 3.34Å; S103-K107 PolarHBondContact O-N 3.38Å; S103-E250 WeakPolarHBondContact CB-OE2 3.49Å; S103-E250 PolarHBondContact OG-OE2 2.72Å
104	E	95.4	Very high	96.6	Very high	96 Å²	96	48.7 Å²	48.7	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-33.3	175.6	-68.8	-55.8	120.7	0	0	112.5	K107 R108	E104-K107 WeakPolarHBondContact OE1-CD 3.36Å; E104-K107 IonicContact OE1-NZ 2.8Å; E104-K107 PolarHBondContact OE1-NZ 3.11Å; E104-R108 WeakPolarHBondContact O-CB 3.4Å; E104-R108 VanDerWaalsContact O-CG 3.26Å; E104-R108 WeakPolarHBondContact O-CG 3.43Å; E104-R108 PolarHBondContact O-N 2.84Å; E104-R108 VanDerWaalsContact O-N 3.11Å
105	A	95.6	Very high	96.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-47.3	173.8	0	0	0	0	0	111.4	S103 R108 L109 W242 E250	S103-A105 PolarHBondContact O-N 3.3Å; S103-A105 PolarHBondContact OG-N 3.41Å; A105-R108 PolarHBondContact O-N 3.34Å; A105-L109 PolarHBondContact O-N 3.38Å; A105-L109 VanDerWaalsContact O-N 3.12Å; A105-W242 PolarHBondContact O-NE1 3.11Å; A105-E250 HydrophobicContact CB-CB 4.47Å; A105-E250 HydrophobicContact CB-CG 4.39Å; A105-E250 WeakPolarHBondContact CB-OE2 3.2Å
106	L	96.9	Very high	96.8	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-42.5	-179.8	-70.6	174.9	0	0	0	112.3	V97 A102 S103 R108 L109 R110 L251	V97-L106 HydrophobicContact CG2-CD2 3.65Å; A102-L106 HydrophobicContact CB-CB 3.91Å; A102-L106 HydrophobicContact CB-CD1 4.4Å; S103-L106 PolarHBondContact O-N 2.93Å; S103-L106 VanDerWaalsContact O-N 3.15Å; S103-L106 WeakPolarHBondContact OG-CG 3.31Å; S103-L106 PolarHBondContact OG-N 3.17Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.48Å; L106-L109 WeakPolarHBondContact O-CB 3.36Å; L106-L109 PolarHBondContact O-N 3.23Å; L106-L109 VanDerWaalsContact O-N 3.16Å; L106-R110 PolarHBondContact O-N 2.95Å; L106-L251 HydrophobicContact CD2-CD1 3.93Å; L106-L251 HydrophobicContact CD2-CD2 4.11Å
107	K	97.5	Very high	96.9	Very high	79 Å²	79	52.2 Å²	52.2	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-44.2	175.2	-72.7	173.7	-174.7	157.3	0	111.8	A102 S103 E104 L109 R110	A102-K107 HydrophobicContact CB-CG 4.12Å; A102-K107 WeakPolarHBondContact O-CE 3.42Å; S103-K107 WeakPolarHBondContact O-CG 3.34Å; S103-K107 PolarHBondContact O-N 3.38Å; E104-K107 WeakPolarHBondContact OE1-CD 3.36Å; E104-K107 IonicContact OE1-NZ 2.8Å; E104-K107 PolarHBondContact OE1-NZ 3.11Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.66Å; K107-R110 WeakPolarHBondContact O-CB 3.43Å; K107-R110 WeakPolarHBondContact O-CG 3.36Å; K107-R110 PolarHBondContact O-N 3.01Å
108	R	97.6	Very high	96.8	Very high	107 Å²	107	53 Å²	53	40%	0.404	27%	0.266	S	S	.	.	H	α-helix	trans	-68.7	-27.1	178.8	-70.7	173.9	-178.1	-83.4	-3.5	113	E104 A105 L106 R110 Q111	E104-R108 WeakPolarHBondContact O-CB 3.4Å; E104-R108 VanDerWaalsContact O-CG 3.26Å; E104-R108 WeakPolarHBondContact O-CG 3.43Å; E104-R108 PolarHBondContact O-N 2.84Å; E104-R108 VanDerWaalsContact O-N 3.11Å; A105-R108 PolarHBondContact O-N 3.34Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.48Å; R108-R110 VanDerWaalsContact C-N 3.28Å; R108-R110 PolarHBondContact O-N 3.16Å; R108-Q111 WeakPolarHBondContact O-CG 3.16Å; R108-Q111 PolarHBondContact O-NE2 3.25Å
109	L	97.7	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-29	176.9	-177	50.7	0	0	0	112.8	F93 V97 A105 L106 K107 Q111 F112 I113 W242 L251 F253 L362	F93-L109 HydrophobicContact CE2-CD2 4.19Å; F93-L109 HydrophobicContact CZ-CD2 3.65Å; V97-L109 HydrophobicContact CG2-CD2 4.2Å; A105-L109 PolarHBondContact O-N 3.38Å; A105-L109 VanDerWaalsContact O-N 3.12Å; L106-L109 WeakPolarHBondContact O-CB 3.36Å; L106-L109 PolarHBondContact O-N 3.23Å; L106-L109 VanDerWaalsContact O-N 3.16Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.66Å; L109-Q111 PolarHBondContact O-N 3.26Å; L109-F112 HydrophobicContact CD1-CB 4.31Å; L109-F112 HydrophobicContact CD1-CD2 4.38Å; L109-F112 PolarHBondContact O-N 3.05Å; L109-I113 HydrophobicContact CD1-CG2 3.72Å; L109-I113 HydrophobicContact CG-CD1 4.47Å; L109-I113 HydrophobicContact CG-CG2 3.91Å; L109-W242 HydrophobicContact CB-CH2 4.36Å; L109-W242 HydrophobicContact CB-CZ2 3.63Å; L109-W242 HydrophobicContact CD1-CD2 4.38Å; L109-W242 HydrophobicContact CD1-CE3 4.22Å; L109-W242 HydrophobicContact CD1-CH2 3.5Å; L109-W242 VanDerWaalsContact CD1-CH2 3.5Å; L109-W242 HydrophobicContact CD1-CZ2 3.64Å; L109-W242 HydrophobicContact CD1-CZ3 3.78Å; L109-W242 HydrophobicContact CD2-CH2 3.81Å; L109-W242 HydrophobicContact CD2-CZ2 3.75Å; L109-W242 HydrophobicContact CG-CH2 4.08Å; L109-W242 HydrophobicContact CG-CZ2 3.86Å; L109-L251 HydrophobicContact CD2-CD1 4.11Å; L109-F253 HydrophobicContact CD2-CZ 4.2Å; L109-L362 HydrophobicContact CD1-CD1 3.83Å
110	R	98.2	Very high	96.6	Very high	77 Å²	77	50.6 Å²	50.6	29%	0.291	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-51	-33.2	-177.6	-65.9	174.2	-174.8	174.3	0.2	113.7	V97 F98 S99 L106 K107 R108 F112	V97-R110 HydrophobicContact CG1-CG 3.67Å; V97-R110 VanDerWaalsContact O-CZ 3.24Å; V97-R110 PolarHBondContact O-NE 3.32Å; V97-R110 PolarHBondContact O-NH2 2.99Å; F98-R110 HydrophobicContact CD1-CG 4.31Å; F98-R110 HydrophobicContact CE1-CB 4.32Å; F98-R110 HydrophobicContact CE1-CG 3.94Å; F98-R110 HydrophobicContact CZ-CB 4.39Å; F98-R110 HydrophobicContact CZ-CG 4.16Å; S99-R110 PolarHBondContact O-NH2 2.79Å; L106-R110 PolarHBondContact O-N 2.95Å; K107-R110 WeakPolarHBondContact O-CB 3.43Å; K107-R110 WeakPolarHBondContact O-CG 3.36Å; K107-R110 PolarHBondContact O-N 3.01Å; R108-R110 VanDerWaalsContact C-N 3.28Å; R108-R110 PolarHBondContact O-N 3.16Å; R110-F112 PolarHBondContact O-N 2.8Å
111	Q	97.6	Very high	96.4	Very high	96 Å²	96	47.2 Å²	47.2	45%	0.449	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-72.5	-15.3	-179.9	81.8	-168.9	-78.6	0	0	113.8	R108 L109	R108-Q111 WeakPolarHBondContact O-CG 3.16Å; R108-Q111 PolarHBondContact O-NE2 3.25Å; L109-Q111 PolarHBondContact O-N 3.26Å
112	F	98.2	Very high	96.1	Very high	12 Å²	12	41.1 Å²	41.1	5%	0.053	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-110.1	3	-175.3	-51.9	-60.8	0	0	0	112.6	L109 R110 R238 I239 W242 Y361 L362	L109-F112 HydrophobicContact CD1-CB 4.31Å; L109-F112 HydrophobicContact CD1-CD2 4.38Å; L109-F112 PolarHBondContact O-N 3.05Å; R110-F112 PolarHBondContact O-N 2.8Å; F112-R238 HydrophobicContact CE1-CB 3.83Å; F112-R238 HydrophobicContact CZ-CB 4.02Å; F112-I239 HydrophobicContact CB-CG1 4.18Å; F112-I239 HydrophobicContact CD1-CD1 4.27Å; F112-I239 HydrophobicContact CD1-CG1 3.47Å; F112-I239 VanDerWaalsContact CD1-CG1 3.47Å; F112-I239 HydrophobicContact CD2-CG1 4.41Å; F112-I239 HydrophobicContact CE1-CG1 3.87Å; F112-I239 HydrophobicContact CG-CG1 3.78Å; F112-I239 HydrophobicContact CZ-CG1 4.5Å; F112-W242 HydrophobicContact CD2-CB 4.4Å; F112-W242 HydrophobicContact CD2-CD2 4.3Å; F112-W242 HydrophobicContact CD2-CG 4.19Å; F112-W242 HydrophobicContact CE2-CB 3.55Å; F112-W242 HydrophobicContact CE2-CD2 4.26Å; F112-W242 AromaticContact CE2-CG 3.69Å; F112-W242 HydrophobicContact CE2-CG 3.69Å; F112-W242 HydrophobicContact CZ-CB 4.19Å; F112-Y361 CarbonylContact O-C 3.43Å; F112-Y361 WeakPolarHBondContact O-CA 3.41Å; F112-L362 HydrophobicContact CB-CD1 4.49Å; F112-L362 PolarHBondContact O-N 2.85Å
113	I	98.4	Very high	95.5	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-130.4	159.1	-177	70.1	172.1	0	0	0	110.7	F93 Y94 V97 F98 L109 L362 F365	F93-I113 HydrophobicContact CE1-CD1 4.02Å; Y94-I113 HydrophobicContact CD1-CD1 4.07Å; Y94-I113 HydrophobicContact CE1-CD1 3.81Å; Y94-I113 HydrophobicContact CE1-CG1 4.37Å; V97-I113 HydrophobicContact CB-CD1 4.27Å; V97-I113 HydrophobicContact CG1-CD1 3.66Å; V97-I113 HydrophobicContact CG2-CD1 4.29Å; F98-I113 HydrophobicContact CE2-CD1 3.87Å; F98-I113 HydrophobicContact CE2-CG1 4.32Å; F98-I113 HydrophobicContact CZ-CD1 4.44Å; F98-I113 HydrophobicContact CZ-CG1 4.45Å; L109-I113 HydrophobicContact CD1-CG2 3.72Å; L109-I113 HydrophobicContact CG-CD1 4.47Å; L109-I113 HydrophobicContact CG-CG2 3.91Å; I113-L362 HydrophobicContact CG2-CB 4.01Å; I113-F365 HydrophobicContact CB-CE2 4.13Å; I113-F365 HydrophobicContact CB-CZ 4.22Å; I113-F365 HydrophobicContact CG2-CE1 4.48Å; I113-F365 HydrophobicContact CG2-CE2 3.85Å; I113-F365 HydrophobicContact CG2-CZ 3.45Å; I113-F365 VanDerWaalsContact CG2-CZ 3.45Å
114	P	98.2	Very high	94.9	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.039	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-57	139.1	170.9	-21.6	29.9	0	0	0	112.2	Y94 Y116 L132 L135 I363	Y94-P114 VanDerWaalsContact CE1-O 3.32Å; Y94-P114 WeakPolarHBondContact CE1-O 3.3Å; P114-Y116 PolarHBondContact O-N 3.48Å; P114-L132 HydrophobicContact CB-CB 3.98Å; P114-L132 HydrophobicContact CB-CD1 4.37Å; P114-L132 HydrophobicContact CB-CD2 4.4Å; P114-L132 HydrophobicContact CB-CG 4.48Å; P114-L135 HydrophobicContact CB-CD2 4.17Å; P114-L135 HydrophobicContact CG-CD1 3.95Å; P114-L135 HydrophobicContact CG-CD2 4.04Å; P114-L135 HydrophobicContact CG-CG 4.14Å; P114-I363 HydrophobicContact CG-CG2 4.18Å
115	T	98.2	Very high	94.4	Very high	56 Å²	56	45.5 Å²	45.5	34%	0.344	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-67.3	134.1	171.9	-52.3	0	0	0	0	110.1	F98 Y117 L132 T133	F98-T115 HydrophobicContact CE1-CG2 3.99Å; F98-T115 HydrophobicContact CZ-CG2 4.23Å; T115-Y117 HydrophobicContact CG2-CE1 4.26Å; T115-L132 CarbonylContact O-C 3.51Å; T115-L132 VanDerWaalsContact O-CA 3.28Å; T115-L132 WeakPolarHBondContact O-CA 3.49Å; T115-T133 VanDerWaalsContact CB-OG1 3.23Å; T115-T133 WeakPolarHBondContact CB-OG1 3.26Å; T115-T133 PolarHBondContact N-OG1 2.61Å; T115-T133 PolarHBondContact O-N 2.92Å; T115-T133 PolarHBondContact O-OG1 3.3Å
116	Y	98	Very high	93.9	Very high	35 Å²	35	51.4 Å²	51.4	14%	0.137	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.8	178.7	173.2	-108	0	0	0	111.6	V91 Y94 Q95 P114 G118 V119 M130 L132	V91-Y116 WeakPolarHBondContact CG1-OH 3.2Å; Y94-Y116 HydrophobicContact CD1-CG 4.41Å; Y94-Y116 HydrophobicContact CG-CD2 4.05Å; Y94-Y116 HydrophobicContact CG-CG 4.21Å; Q95-Y116 HydrophobicContact CG-CE1 4.02Å; P114-Y116 PolarHBondContact O-N 3.48Å; Y116-G118 WeakPolarHBondContact OH-CA 3.45Å; Y116-V119 WeakPolarHBondContact OH-CG2 3.27Å; Y116-M130 HydrophobicContact CD2-CG 3.79Å; Y116-M130 HydrophobicContact CD2-SD 3.89Å; Y116-M130 HydrophobicContact CE2-CG 3.66Å; Y116-M130 HydrophobicContact CE2-SD 3.85Å; Y116-L132 HydrophobicContact CD2-CD2 4.09Å
117	Y	96.7	Very high	93.3	Very high	107 Å²	107	51.8 Å²	51.8	42%	0.42	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	5.9	-178.8	-61.2	-74.9	0	0	0	113.8	I76 T115 A131 T133	I76-Y117 HydrophobicContact CD1-CD2 4.04Å; I76-Y117 HydrophobicContact CD1-CE2 4.15Å; I76-Y117 HydrophobicContact CD1-CG 4.3Å; I76-Y117 HydrophobicContact CG1-CD2 4.04Å; I76-Y117 HydrophobicContact CG1-CE2 3.86Å; I76-Y117 HydrophobicContact CG2-CD2 4.4Å; T115-Y117 HydrophobicContact CG2-CE1 4.26Å; Y117-A131 PolarHBondContact N-O 3.35Å; Y117-T133 VanDerWaalsContact CE2-OG1 3.26Å; Y117-T133 WeakPolarHBondContact CE2-OG1 3.34Å; Y117-T133 PolarHBondContact OH-OG1 3.02Å; Y117-T133 VanDerWaalsContact OH-OG1 3.11Å
118	G	95.5	Very high	93	Very high	16 Å²	16	50 Å²	50	17%	0.165	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.4	-176.3	178.6	0	0	0	0	0	114.6	Y116 A131	Y116-G118 WeakPolarHBondContact OH-CA 3.45Å; G118-A131 PolarHBondContact O-N 3.28Å
119	V	94.8	Very high	92.8	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140	174.2	-179.5	0	0	0	0	109.4	F38 V41 P42 L81 V91 Y116 Y128 Y129	F38-V119 HydrophobicContact CD1-CB 4.46Å; F38-V119 HydrophobicContact CD1-CG2 4.11Å; F38-V119 HydrophobicContact CD2-CG1 4.12Å; F38-V119 HydrophobicContact CE1-CG2 3.77Å; F38-V119 HydrophobicContact CE2-CG1 4.07Å; F38-V119 HydrophobicContact CE2-CG2 4.43Å; F38-V119 HydrophobicContact CG-CG1 4.43Å; F38-V119 HydrophobicContact CZ-CG1 4.36Å; F38-V119 HydrophobicContact CZ-CG2 3.9Å; V41-V119 HydrophobicContact CG1-CB 4.31Å; V41-V119 HydrophobicContact CG1-CG1 4.33Å; P42-V119 WeakPolarHBondContact CD-O 3.28Å; L81-V119 HydrophobicContact CD1-CG1 4.12Å; L81-V119 HydrophobicContact CD1-CG2 4.42Å; V91-V119 HydrophobicContact CB-CG2 4.47Å; V91-V119 HydrophobicContact CG1-CG2 3.72Å; V91-V119 HydrophobicContact CG2-CG2 3.85Å; Y116-V119 WeakPolarHBondContact OH-CG2 3.27Å; V119-Y128 HydrophobicContact CG1-CD1 3.73Å; V119-Y128 HydrophobicContact CG1-CG 4.4Å; V119-Y129 CarbonylContact C-O 3.44Å; V119-Y129 WeakPolarHBondContact CA-O 3.29Å
120	F	94.2	Very high	92.7	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.145	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.7	179.9	-68.2	-104.3	0	0	0	109.4	P42 L44 Y78 Y128 Y129 A131	P42-F120 HydrophobicContact CB-CD1 3.93Å; P42-F120 HydrophobicContact CB-CE1 3.89Å; P42-F120 HydrophobicContact CG-CD1 3.6Å; P42-F120 HydrophobicContact CG-CE1 3.54Å; P42-F120 HydrophobicContact CG-CE2 4.48Å; P42-F120 HydrophobicContact CG-CG 4.13Å; P42-F120 HydrophobicContact CG-CZ 3.99Å; P42-F120 VanDerWaalsContact O-CA 3.3Å; P42-F120 WeakPolarHBondContact O-CA 3.28Å; L44-F120 HydrophobicContact CD1-CB 4.34Å; Y78-F120 HydrophobicContact CD1-CD2 4.29Å; Y78-F120 HydrophobicContact CD1-CG 4.38Å; Y78-F120 HydrophobicContact CE1-CD1 4.25Å; Y78-F120 AromaticContact CE1-CD2 3.88Å; Y78-F120 HydrophobicContact CE1-CD2 3.88Å; Y78-F120 HydrophobicContact CE1-CE1 4.49Å; Y78-F120 HydrophobicContact CE1-CE2 4.18Å; Y78-F120 AromaticContact CE1-CG 3.95Å; Y78-F120 HydrophobicContact CE1-CG 3.95Å; Y78-F120 HydrophobicContact CE1-CZ 4.47Å; F120-Y128 CarbonylContact O-C 3.56Å; F120-Y128 WeakPolarHBondContact O-CA 3.35Å; F120-Y129 PolarHBondContact N-O 3Å; F120-Y129 PolarHBondContact O-N 2.88Å; F120-A131 HydrophobicContact CD2-CB 3.62Å; F120-A131 HydrophobicContact CE2-CB 3.37Å; F120-A131 HydrophobicContact CZ-CB 4.37Å
121	Q	91	Very high	92.6	Very high	43 Å²	43	41.7 Å²	41.7	20%	0.201	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.3	176.5	-175.5	178.4	66.4	0	0	111.5	V41 P42 P43 L44 P123 K126 A127 Y128	V41-Q121 HydrophobicContact CG2-CB 3.55Å; P42-Q121 PolarHBondContact O-N 2.86Å; P43-Q121 CarbonylContact C-O 3.59Å; P43-Q121 WeakPolarHBondContact CA-O 3.48Å; L44-Q121 PolarHBondContact N-O 3.45Å; Q121-P123 VanDerWaalsContact O-CD 3.3Å; Q121-P123 WeakPolarHBondContact O-CD 3.47Å; Q121-K126 PolarHBondContact NE2-O 3.43Å; Q121-A127 WeakPolarHBondContact CA-O 3.07Å; Q121-Y128 HydrophobicContact CB-CD1 4.25Å; Q121-Y128 HydrophobicContact CB-CE1 4.27Å; Q121-Y128 HydrophobicContact CG-CE1 4.44Å; Q121-Y128 PolarHBondContact NE2-OH 3.4Å
122	C	87.6	Confident	92.6	Very high	26 Å²	26	37.5 Å²	37.5	18%	0.176	21%	0.214	C	C	.	.			trans	-67.3	119.6	171.3	-177.8	0	0	0	0	109.8	L44 G124 T125 K126 A127 Y129	L44-C122 HydrophobicContact CD2-CB 4.33Å; C122-G124 VanDerWaalsContact C-N 3.28Å; C122-G124 PolarHBondContact O-N 3Å; C122-T125 WeakPolarHBondContact CB-OG1 3.42Å; C122-T125 PolarHBondContact SG-OG1 3.12Å; C122-T125 VanDerWaalsContact SG-OG1 3.39Å; C122-K126 VanDerWaalsContact O-CA 3.28Å; C122-K126 WeakPolarHBondContact O-CA 3.4Å; C122-K126 PolarHBondContact O-N 2.6Å; C122-A127 PolarHBondContact N-O 2.9Å; C122-Y129 HydrophobicContact CB-CE2 4.19Å
123	P	84	Confident	92.6	Very high	73 Å²	73	38.3 Å²	38.3	47%	0.474	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.8	-173.6	-28.6	36.4	0	0	0	114.3	P43 Q121 K126	P43-P123 HydrophobicContact CB-CG 3.82Å; Q121-P123 VanDerWaalsContact O-CD 3.3Å; Q121-P123 WeakPolarHBondContact O-CD 3.47Å; P123-K126 WeakPolarHBondContact O-CE 3.43Å; P123-K126 PolarHBondContact O-NZ 3.08Å
124	G	82	Confident	92.6	Very high	71 Å²	71	38.3 Å²	38.3	73%	0.732	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-52.4	-176.8	0	0	0	0	0	114	C122	C122-G124 VanDerWaalsContact C-N 3.28Å; C122-G124 PolarHBondContact O-N 3Å
125	T	84.2	Confident	92.5	Very high	88 Å²	88	38.8 Å²	38.8	54%	0.54	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.5	-175.3	64	0	0	0	0	113.7	C122 A127	C122-T125 WeakPolarHBondContact CB-OG1 3.42Å; C122-T125 PolarHBondContact SG-OG1 3.12Å; C122-T125 VanDerWaalsContact SG-OG1 3.39Å; T125-A127 PolarHBondContact O-N 2.91Å; T125-A127 VanDerWaalsContact O-N 3.14Å; T125-A127 WeakPolarHBondContact OG1-CB 3.31Å; T125-A127 PolarHBondContact OG1-N 2.98Å
126	K	84.6	Confident	92.4	Very high	124 Å²	124	36.2 Å²	36.2	54%	0.539	21%	0.206	S	C	.	.			trans	59.4	12.6	-169.3	-52.9	-56.7	-172.8	-167.4	0	114.4	Q121 C122 P123	Q121-K126 PolarHBondContact NE2-O 3.43Å; C122-K126 VanDerWaalsContact O-CA 3.28Å; C122-K126 WeakPolarHBondContact O-CA 3.4Å; C122-K126 PolarHBondContact O-N 2.6Å; P123-K126 WeakPolarHBondContact O-CE 3.43Å; P123-K126 PolarHBondContact O-NZ 3.08Å
127	A	86.1	Confident	92.3	Very high	26 Å²	26	36.2 Å²	36.2	22%	0.215	21%	0.214	C	C	.	.			trans	-68	140.7	174.6	0	0	0	0	0	110.9	Q121 C122 T125 Y129	Q121-A127 WeakPolarHBondContact CA-O 3.07Å; C122-A127 PolarHBondContact N-O 2.9Å; T125-A127 PolarHBondContact O-N 2.91Å; T125-A127 VanDerWaalsContact O-N 3.14Å; T125-A127 WeakPolarHBondContact OG1-CB 3.31Å; T125-A127 PolarHBondContact OG1-N 2.98Å; A127-Y129 HydrophobicContact CB-CE2 3.98Å
128	Y	90.3	Very high	92.1	Very high	42 Å²	42	35.4 Å²	35.4	17%	0.165	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	142.2	176.6	-68.4	-85.5	0	0	0	111.3	T34 F38 V41 L81 V119 F120 Q121	T34-Y128 HydrophobicContact CG2-CD2 4.39Å; T34-Y128 HydrophobicContact CG2-CE2 4.06Å; F38-Y128 HydrophobicContact CD2-CD1 4.15Å; F38-Y128 HydrophobicContact CD2-CE1 4.05Å; F38-Y128 HydrophobicContact CE2-CD1 4.46Å; V41-Y128 HydrophobicContact CG2-CD1 4.19Å; V41-Y128 HydrophobicContact CG2-CE1 3.73Å; L81-Y128 PolarHBondContact N-O 3.34Å; V119-Y128 HydrophobicContact CG1-CD1 3.73Å; V119-Y128 HydrophobicContact CG1-CG 4.4Å; F120-Y128 CarbonylContact O-C 3.56Å; F120-Y128 WeakPolarHBondContact O-CA 3.35Å; Q121-Y128 HydrophobicContact CB-CD1 4.25Å; Q121-Y128 HydrophobicContact CB-CE1 4.27Å; Q121-Y128 HydrophobicContact CG-CE1 4.44Å; Q121-Y128 PolarHBondContact NE2-OH 3.4Å
129	Y	93.2	Very high	92.1	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.1	177.6	-73.3	-100.7	0	0	0	109.8	L44 S65 L69 Y78 K79 V119 F120 C122 A127	L44-Y129 HydrophobicContact CD1-CD2 4.43Å; L44-Y129 HydrophobicContact CD1-CG 4.23Å; L44-Y129 HydrophobicContact CD2-CD2 4.32Å; L44-Y129 HydrophobicContact CD2-CE2 4.32Å; S65-Y129 PolarHBondContact O-OH 3.47Å; L69-Y129 HydrophobicContact CD1-CD1 4.44Å; L69-Y129 HydrophobicContact CD1-CE1 3.77Å; L69-Y129 HydrophobicContact CG-CE1 4.05Å; Y78-Y129 WeakPolarHBondContact O-CD1 3.5Å; K79-Y129 CarbonylContact O-C 3.56Å; K79-Y129 WeakPolarHBondContact O-CA 3.31Å; V119-Y129 CarbonylContact C-O 3.44Å; V119-Y129 WeakPolarHBondContact CA-O 3.29Å; F120-Y129 PolarHBondContact N-O 3Å; F120-Y129 PolarHBondContact O-N 2.88Å; C122-Y129 HydrophobicContact CB-CE2 4.19Å; A127-Y129 HydrophobicContact CB-CE2 3.98Å
130	M	94.9	Very high	91.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127	169.5	166.4	171.5	66.8	0	0	109.5	Y78 K79 L81 E90 V91 Y94 Y116 L132	Y78-M130 WeakPolarHBondContact CA-O 3.5Å; K79-M130 HydrophobicContact CD-CE 4.12Å; K79-M130 PolarHBondContact N-O 2.9Å; K79-M130 PolarHBondContact O-N 3.32Å; L81-M130 HydrophobicContact CD2-CB 3.72Å; L81-M130 HydrophobicContact CG-CB 4.43Å; E90-M130 HydrophobicContact CB-CE 4.48Å; E90-M130 HydrophobicContact CG-CE 3.83Å; V91-M130 HydrophobicContact CG2-CB 4.24Å; V91-M130 HydrophobicContact CG2-SD 3.98Å; Y94-M130 HydrophobicContact CD2-CE 3.94Å; Y94-M130 HydrophobicContact CD2-SD 3.4Å; Y94-M130 WeakPolarHBondContact CD2-SD 3.44Å; Y94-M130 HydrophobicContact CE2-CE 3.77Å; Y94-M130 HydrophobicContact CE2-SD 3.84Å; Y94-M130 HydrophobicContact CG-SD 4.2Å; Y116-M130 HydrophobicContact CD2-CG 3.79Å; Y116-M130 HydrophobicContact CD2-SD 3.89Å; Y116-M130 HydrophobicContact CE2-CG 3.66Å; Y116-M130 HydrophobicContact CE2-SD 3.85Å; M130-L132 HydrophobicContact CE-CD1 3.88Å; M130-L132 HydrophobicContact CE-CD2 4.35Å; M130-L132 HydrophobicContact CE-CG 4.27Å; M130-L132 HydrophobicContact CG-CD2 3.94Å; M130-L132 HydrophobicContact CG-CG 4.02Å; M130-L132 HydrophobicContact SD-CD2 4.04Å; M130-L132 HydrophobicContact SD-CG 4.45Å
131	A	97.1	Very high	91.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.1	177.2	0	0	0	0	0	110.6	I76 I77 Y78 Y117 G118 F120	I76-A131 HydrophobicContact CG2-CB 4.08Å; I77-A131 CarbonylContact O-C 3.35Å; I77-A131 WeakPolarHBondContact O-CA 3.31Å; Y78-A131 HydrophobicContact CD1-CB 3.84Å; Y78-A131 HydrophobicContact CE1-CB 3.64Å; Y117-A131 PolarHBondContact N-O 3.35Å; G118-A131 PolarHBondContact O-N 3.28Å; F120-A131 HydrophobicContact CD2-CB 3.62Å; F120-A131 HydrophobicContact CE2-CB 3.37Å; F120-A131 HydrophobicContact CZ-CB 4.37Å
132	L	98.1	Very high	91.9	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	158.8	179.3	-61.8	178.3	0	0	0	110.2	I76 I77 Y94 P114 T115 Y116 M130 D134	I76-L132 CarbonylContact C-O 3.54Å; I76-L132 WeakPolarHBondContact CA-O 3.27Å; I77-L132 HydrophobicContact CG1-CB 4.08Å; I77-L132 PolarHBondContact N-O 3.12Å; I77-L132 PolarHBondContact O-N 3.04Å; Y94-L132 HydrophobicContact CD1-CD2 4.16Å; Y94-L132 HydrophobicContact CD2-CD2 4.25Å; Y94-L132 HydrophobicContact CE1-CD2 3.79Å; Y94-L132 HydrophobicContact CE2-CD1 4.2Å; Y94-L132 HydrophobicContact CE2-CD2 3.91Å; Y94-L132 HydrophobicContact CG-CD2 4.36Å; P114-L132 HydrophobicContact CB-CB 3.98Å; P114-L132 HydrophobicContact CB-CD1 4.37Å; P114-L132 HydrophobicContact CB-CD2 4.4Å; P114-L132 HydrophobicContact CB-CG 4.48Å; T115-L132 CarbonylContact O-C 3.51Å; T115-L132 VanDerWaalsContact O-CA 3.28Å; T115-L132 WeakPolarHBondContact O-CA 3.49Å; Y116-L132 HydrophobicContact CD2-CD2 4.09Å; M130-L132 HydrophobicContact CE-CD1 3.88Å; M130-L132 HydrophobicContact CE-CD2 4.35Å; M130-L132 HydrophobicContact CE-CG 4.27Å; M130-L132 HydrophobicContact CG-CD2 3.94Å; M130-L132 HydrophobicContact CG-CG 4.02Å; M130-L132 HydrophobicContact SD-CD2 4.04Å; M130-L132 HydrophobicContact SD-CG 4.45Å; L132-D134 PolarHBondContact O-N 3.24Å
133	T	98.2	Very high	92.4	Very high	29 Å²	29	37.6 Å²	37.6	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.1	170.3	-58.7	0	0	0	0	110.7	T115 Y117 L135	T115-T133 VanDerWaalsContact CB-OG1 3.23Å; T115-T133 WeakPolarHBondContact CB-OG1 3.26Å; T115-T133 PolarHBondContact N-OG1 2.61Å; T115-T133 PolarHBondContact O-N 2.92Å; T115-T133 PolarHBondContact O-OG1 3.3Å; Y117-T133 VanDerWaalsContact CE2-OG1 3.26Å; Y117-T133 WeakPolarHBondContact CE2-OG1 3.34Å; Y117-T133 PolarHBondContact OH-OG1 3.02Å; Y117-T133 VanDerWaalsContact OH-OG1 3.11Å; T133-L135 PolarHBondContact O-N 3.2Å
134	D	97.6	Very high	93	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	20%	0.196	C	C	.	.			trans	-73.2	102.7	169.3	-178.1	1.8	0	0	0	109.4	Y51 R70 P75 I77 L132 V136 A137	Y51-D134 PolarHBondContact OH-OD1 3.36Å; R70-D134 IonicContact CZ-OD2 2.68Å; R70-D134 IonicContact NE-OD2 3.16Å; R70-D134 PolarHBondContact NE-OD2 2.92Å; R70-D134 IonicContact NH2-OD2 3.28Å; R70-D134 PolarHBondContact NH2-OD2 3.15Å; P75-D134 VanDerWaalsContact C-CB 3.48Å; P75-D134 PolarHBondContact O-N 2.88Å; I77-D134 HydrophobicContact CG2-CB 3.86Å; L132-D134 PolarHBondContact O-N 3.24Å; D134-V136 PolarHBondContact O-N 2.75Å; D134-V136 WeakPolarHBondContact OD1-CG2 3.4Å; D134-V136 PolarHBondContact OD1-N 2.76Å; D134-A137 HydrophobicContact CB-CB 3.97Å; D134-A137 WeakPolarHBondContact O-CB 3.27Å; D134-A137 PolarHBondContact O-N 2.97Å
135	L	97.3	Very high	93.8	Very high	16 Å²	16	30.9 Å²	30.9	8%	0.084	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.8	-175.8	-61.1	-177.8	0	0	0	114	P114 T133 L259 I261 Y361 I363	P114-L135 HydrophobicContact CB-CD2 4.17Å; P114-L135 HydrophobicContact CG-CD1 3.95Å; P114-L135 HydrophobicContact CG-CD2 4.04Å; P114-L135 HydrophobicContact CG-CG 4.14Å; T133-L135 PolarHBondContact O-N 3.2Å; L135-L259 HydrophobicContact CD1-CD2 3.99Å; L135-I261 HydrophobicContact CB-CD1 3.82Å; L135-Y361 HydrophobicContact CB-CD2 4.3Å; L135-Y361 HydrophobicContact CB-CE2 4.31Å; L135-Y361 HydrophobicContact CD1-CD1 4.4Å; L135-Y361 HydrophobicContact CD1-CD2 3.61Å; L135-Y361 HydrophobicContact CD1-CE2 4.32Å; L135-Y361 HydrophobicContact CD1-CG 3.65Å; L135-Y361 HydrophobicContact CD2-CD1 3.89Å; L135-Y361 HydrophobicContact CD2-CD2 3.82Å; L135-Y361 HydrophobicContact CD2-CE1 3.85Å; L135-Y361 HydrophobicContact CD2-CE2 3.74Å; L135-Y361 HydrophobicContact CD2-CG 3.88Å; L135-Y361 HydrophobicContact CG-CD2 4.12Å; L135-Y361 HydrophobicContact CG-CE2 4.34Å; L135-Y361 HydrophobicContact CG-CG 4.35Å; L135-I363 HydrophobicContact CD1-CG2 4.18Å
136	V	95.7	Very high	94.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	10.6	178.9	-52.6	0	0	0	0	112.6	Y51 F53 D134 D138 F139 P142 I144 I261	Y51-V136 HydrophobicContact CE2-CG2 4.2Å; Y51-V136 WeakPolarHBondContact OH-CG2 3.21Å; F53-V136 HydrophobicContact CB-CG2 4.1Å; F53-V136 HydrophobicContact CD2-CG2 3.43Å; F53-V136 VanDerWaalsContact CD2-CG2 3.43Å; F53-V136 HydrophobicContact CE2-CG2 4.08Å; F53-V136 HydrophobicContact CG-CG2 3.97Å; D134-V136 PolarHBondContact O-N 2.75Å; D134-V136 WeakPolarHBondContact OD1-CG2 3.4Å; D134-V136 PolarHBondContact OD1-N 2.76Å; V136-D138 PolarHBondContact O-N 2.85Å; V136-F139 HydrophobicContact CB-CB 4.49Å; V136-F139 HydrophobicContact CB-CD2 4.27Å; V136-F139 PolarHBondContact O-N 3.48Å; V136-P142 HydrophobicContact CB-CB 4.28Å; V136-P142 HydrophobicContact CB-CG 4.19Å; V136-P142 HydrophobicContact CG1-CB 4.23Å; V136-P142 HydrophobicContact CG1-CG 4.48Å; V136-I144 HydrophobicContact CG1-CD1 3.9Å; V136-I144 HydrophobicContact CG1-CG1 4.44Å; V136-I261 HydrophobicContact CG1-CD1 3.95Å; V136-I261 HydrophobicContact CG1-CG1 4.46Å; V136-I261 HydrophobicContact CG1-CG2 4.01Å
137	A	95.1	Very high	95.1	Very high	36 Å²	36	21.2 Å²	21.2	30%	0.298	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.5	-174.2	0	0	0	0	0	113.9	P75 D134	P75-A137 HydrophobicContact CB-CB 3.52Å; D134-A137 HydrophobicContact CB-CB 3.97Å; D134-A137 WeakPolarHBondContact O-CB 3.27Å; D134-A137 PolarHBondContact O-N 2.97Å
138	D	93.7	Very high	95.6	Very high	89 Å²	89	21.9 Å²	21.9	48%	0.476	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.4	178.4	62.5	-30.5	0	0	0	113.5	V136 H357 Q359	V136-D138 PolarHBondContact O-N 2.85Å; D138-H357 PolarHBondContact O-CE1 3.45Å; D138-H357 IonicContact OD2-CE1 2.8Å; D138-H357 PolarHBondContact OD2-CE1 2.99Å; D138-H357 IonicContact OD2-NE2 3.71Å; D138-H357 PolarHBondContact OD2-NE2 3.1Å; D138-Q359 PolarHBondContact OD2-NE2 2.74Å; D138-Q359 VanDerWaalsContact OD2-NE2 3.11Å
139	F	93.6	Very high	95.9	Very high	11 Å²	11	20 Å²	20	5%	0.048	10%	0.103	C	C	.	.			trans	-97.3	138.8	177.1	-63.9	-102.1	0	0	0	110.8	V136 P142 I261 E263 H357 Q359	V136-F139 HydrophobicContact CB-CB 4.49Å; V136-F139 HydrophobicContact CB-CD2 4.27Å; V136-F139 PolarHBondContact O-N 3.48Å; F139-P142 HydrophobicContact CB-CB 3.76Å; F139-P142 HydrophobicContact CB-CG 4.13Å; F139-P142 HydrophobicContact CD1-CB 4.39Å; F139-P142 HydrophobicContact CG-CB 4.17Å; F139-I261 HydrophobicContact CD1-CG2 3.93Å; F139-I261 HydrophobicContact CD2-CG2 4.12Å; F139-I261 HydrophobicContact CE1-CB 4.48Å; F139-I261 HydrophobicContact CE1-CG2 3.64Å; F139-I261 HydrophobicContact CE2-CG2 3.81Å; F139-I261 HydrophobicContact CG-CG2 4.16Å; F139-I261 HydrophobicContact CZ-CB 4.15Å; F139-I261 HydrophobicContact CZ-CG2 3.56Å; F139-E263 HydrophobicContact CD1-CB 4.14Å; F139-H357 AromaticContact CD1-CE1 3.68Å; F139-H357 AromaticContact CD1-ND1 3.66Å; F139-H357 AromaticContact CD2-CE1 3.8Å; F139-H357 AromaticContact CE1-CE1 3.63Å; F139-H357 AromaticContact CE1-CG 3.92Å; F139-H357 AromaticContact CE1-ND1 3.64Å; F139-H357 AromaticContact CE1-NE2 3.93Å; F139-H357 AromaticContact CE2-CE1 3.8Å; F139-H357 AromaticContact CE2-NE2 3.83Å; F139-H357 AromaticContact CG-CE1 3.78Å; F139-H357 AromaticContact CZ-CE1 3.72Å; F139-H357 AromaticContact CZ-NE2 3.64Å; F139-Q359 HydrophobicContact CE2-CG 4.38Å; F139-Q359 HydrophobicContact CZ-CB 4.21Å; F139-Q359 HydrophobicContact CZ-CG 3.95Å
140	K	90.1	Very high	96	Very high	120 Å²	120	19.8 Å²	19.8	52%	0.522	10%	0.104	S	C	.	.	S	Bend	trans	-86	-47	174.3	-61.6	-170.8	178	-162.6	0	111.3	E263 E273	K140-E263 WeakPolarHBondContact CA-OE2 3.4Å; K140-E263 WeakPolarHBondContact CB-OE2 3.23Å; K140-E263 PolarHBondContact N-OE2 3.12Å; K140-E273 IonicContact NZ-OE1 3.93Å
141	Q	91.8	Very high	96	Very high	37 Å²	37	20.6 Å²	20.6	17%	0.173	11%	0.109	C	C	.	.	S	Bend	trans	-135	67.8	-177.7	-66.7	-175.3	17	0	0	111.1	N143 S186 E263 S264	Q141-N143 PolarHBondContact O-N 3.34Å; Q141-S186 PolarHBondContact OE1-OG 3.25Å; Q141-E263 VanDerWaalsContact CA-OE1 3.23Å; Q141-E263 WeakPolarHBondContact CA-OE1 3.48Å; Q141-E263 VanDerWaalsContact CB-OE1 3.27Å; Q141-E263 WeakPolarHBondContact CB-OE1 3.24Å; Q141-E263 PolarHBondContact N-OE1 2.95Å; Q141-E263 PolarHBondContact N-OE2 3.29Å; Q141-E263 VanDerWaalsContact N-OE2 3.16Å; Q141-E263 VanDerWaalsContact O-OE1 3.05Å; Q141-S264 PolarHBondContact O-N 3.41Å; Q141-S264 PolarHBondContact O-OG 2.89Å
142	P	95.2	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127	-173	27.8	-34.7	0	0	0	112.3	F53 V136 F139 I144 Q184 I261	F53-P142 HydrophobicContact CD1-CG 3.88Å; F53-P142 HydrophobicContact CE1-CG 3.73Å; F53-P142 HydrophobicContact CE2-CG 4.49Å; F53-P142 HydrophobicContact CG-CG 4.3Å; F53-P142 HydrophobicContact CZ-CG 4.06Å; V136-P142 HydrophobicContact CB-CB 4.28Å; V136-P142 HydrophobicContact CB-CG 4.19Å; V136-P142 HydrophobicContact CG1-CB 4.23Å; V136-P142 HydrophobicContact CG1-CG 4.48Å; F139-P142 HydrophobicContact CB-CB 3.76Å; F139-P142 HydrophobicContact CB-CG 4.13Å; F139-P142 HydrophobicContact CD1-CB 4.39Å; F139-P142 HydrophobicContact CG-CB 4.17Å; P142-I144 HydrophobicContact CB-CD1 4.3Å; P142-I144 HydrophobicContact CB-CG1 4.09Å; P142-I144 HydrophobicContact CG-CD1 4.47Å; P142-Q184 PolarHBondContact O-NE2 3.1Å; P142-Q184 VanDerWaalsContact O-NE2 3.12Å; P142-I261 HydrophobicContact CB-CG2 4.11Å
143	N	97.1	Very high	95.5	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.032	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.7	158.7	-57.8	-74.6	0	0	0	107.8	Q141 Q184 I185 S186 F217 I261 H262 S264	Q141-N143 PolarHBondContact O-N 3.34Å; N143-Q184 CarbonylContact C-O 3.56Å; N143-Q184 WeakPolarHBondContact CA-O 3.43Å; N143-I185 VanDerWaalsContact OD1-CA 3.24Å; N143-I185 WeakPolarHBondContact OD1-CA 3.48Å; N143-I185 WeakPolarHBondContact OD1-CG2 3.47Å; N143-S186 PolarHBondContact OD1-N 3.42Å; N143-F217 HydrophobicContact CB-CD2 4.2Å; N143-F217 HydrophobicContact CB-CE2 3.85Å; N143-I261 VanDerWaalsContact O-CA 3.31Å; N143-I261 WeakPolarHBondContact O-CA 3.19Å; N143-H262 VanDerWaalsContact CB-NE2 3.34Å; N143-H262 WeakPolarHBondContact CB-NE2 3.47Å; N143-H262 PolarHBondContact N-O 3.16Å; N143-H262 PolarHBondContact ND2-CE1 3.24Å; N143-H262 VanDerWaalsContact ND2-CE1 3.26Å; N143-H262 PolarHBondContact ND2-O 2.98Å; N143-H262 PolarHBondContact O-N 3.12Å; N143-S264 PolarHBondContact ND2-OG 3.28Å
144	I	97.8	Very high	95.1	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.8	-172.1	-54	171.9	0	0	0	109.5	F53 V55 V136 P142 M183 Q184 L259 L260 I261	F53-I144 HydrophobicContact CB-CD1 3.74Å; F53-I144 HydrophobicContact CG-CD1 4.48Å; F53-I144 WeakPolarHBondContact O-CD1 3.1Å; V55-I144 HydrophobicContact CG1-CB 3.83Å; V55-I144 HydrophobicContact CG1-CD1 4.47Å; V55-I144 HydrophobicContact CG1-CG2 3.87Å; V55-I144 HydrophobicContact CG2-CG2 3.84Å; V136-I144 HydrophobicContact CG1-CD1 3.9Å; V136-I144 HydrophobicContact CG1-CG1 4.44Å; P142-I144 HydrophobicContact CB-CD1 4.3Å; P142-I144 HydrophobicContact CB-CG1 4.09Å; P142-I144 HydrophobicContact CG-CD1 4.47Å; I144-M183 CarbonylContact O-C 3.58Å; I144-M183 VanDerWaalsContact O-CA 3.28Å; I144-M183 WeakPolarHBondContact O-CA 3.18Å; I144-Q184 HydrophobicContact CB-CB 4.5Å; I144-Q184 PolarHBondContact N-O 3.2Å; I144-Q184 PolarHBondContact O-N 3.05Å; I144-L259 HydrophobicContact CG2-CD1 3.45Å; I144-L259 VanDerWaalsContact CG2-CD1 3.45Å; I144-L259 HydrophobicContact CG2-CD2 4.34Å; I144-L259 HydrophobicContact CG2-CG 3.99Å; I144-L260 CarbonylContact C-O 3.58Å; I144-L260 WeakPolarHBondContact CA-O 3.13Å; I144-I261 HydrophobicContact CG1-CG2 4.41Å; I144-I261 HydrophobicContact CG2-CG1 4.5Å
145	C	97.7	Very high	94.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	123.3	175.9	-161	0	0	0	0	111	F147 M183 F217 L260	C145-F147 HydrophobicContact CB-CE2 3.89Å; C145-F147 HydrophobicContact CB-CZ 4.26Å; C145-F147 VanDerWaalsContact SG-CE2 3.5Å; C145-F147 WeakPolarHBondContact SG-CZ 3.3Å; C145-M183 HydrophobicContact CB-CG 4.39Å; C145-F217 HydrophobicContact CB-CD1 4.15Å; C145-F217 HydrophobicContact CB-CD2 3.74Å; C145-F217 HydrophobicContact CB-CE1 3.93Å; C145-F217 HydrophobicContact CB-CE2 3.51Å; C145-F217 HydrophobicContact CB-CG 4.05Å; C145-F217 HydrophobicContact CB-CZ 3.59Å; C145-L260 HydrophobicContact CB-CB 4.47Å; C145-L260 PolarHBondContact N-O 3.43Å; C145-L260 PolarHBondContact O-N 3.45Å
146	D	97.9	Very high	93.1	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.043	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.4	-178.2	-178.4	-52.1	0	0	0	110	V55 A56 L180 S181 G182 S257 L259	V55-D146 HydrophobicContact CG2-CB 3.88Å; A56-D146 HydrophobicContact CB-CB 4.24Å; D146-L180 CarbonylContact O-C 3.58Å; D146-S181 PolarHBondContact O-N 2.88Å; D146-S181 WeakPolarHBondContact OD1-CB 3.25Å; D146-S181 PolarHBondContact OD1-OG 2.7Å; D146-G182 PolarHBondContact N-O 3.3Å; D146-S257 WeakPolarHBondContact OD1-CB 3.5Å; D146-S257 PolarHBondContact OD1-OG 3.35Å; D146-L259 HydrophobicContact CB-CD1 3.94Å
147	F	97.7	Very high	92.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.3	173.8	-64.1	-81.8	0	0	0	110.3	C145 M149 F178 V179 L180 I214 S257 I258 L260 L403	C145-F147 HydrophobicContact CB-CE2 3.89Å; C145-F147 HydrophobicContact CB-CZ 4.26Å; C145-F147 VanDerWaalsContact SG-CE2 3.5Å; C145-F147 WeakPolarHBondContact SG-CZ 3.3Å; F147-M149 HydrophobicContact CB-SD 3.8Å; F147-M149 WeakPolarHBondContact O-CG 3.45Å; F147-M149 PolarHBondContact O-N 3.47Å; F147-M149 VanDerWaalsContact O-SD 3.35Å; F147-F178 AromaticContact CD1-CD2 3.64Å; F147-F178 HydrophobicContact CD1-CD2 3.64Å; F147-F178 AromaticContact CD1-CE2 3.88Å; F147-F178 HydrophobicContact CD1-CE2 3.88Å; F147-F178 HydrophobicContact CD1-CG 4.37Å; F147-F178 HydrophobicContact CE1-CD2 4.34Å; F147-F178 HydrophobicContact CE1-CE2 4.14Å; F147-V179 CarbonylContact C-O 3.52Å; F147-V179 WeakPolarHBondContact CA-O 3.21Å; F147-L180 HydrophobicContact CD1-CB 4.42Å; F147-L180 HydrophobicContact CE1-CB 4.08Å; F147-L180 HydrophobicContact CE1-CD1 4.37Å; F147-L180 HydrophobicContact CE1-CG 4.22Å; F147-I214 HydrophobicContact CE1-CD1 3.89Å; F147-I214 HydrophobicContact CE2-CD1 4.19Å; F147-I214 HydrophobicContact CZ-CD1 3.27Å; F147-S257 CarbonylContact O-C 3.49Å; F147-S257 WeakPolarHBondContact O-CA 3.2Å; F147-S257 WeakPolarHBondContact O-CB 3.16Å; F147-I258 PolarHBondContact N-O 3.5Å; F147-I258 PolarHBondContact O-N 3.16Å; F147-L260 HydrophobicContact CD2-CD1 4.28Å; F147-L260 HydrophobicContact CD2-CG 4.17Å; F147-L260 HydrophobicContact CE2-CD1 3.67Å; F147-L260 HydrophobicContact CE2-CG 3.92Å; F147-L403 HydrophobicContact CD1-CD1 4.38Å; F147-L403 HydrophobicContact CD2-CD1 4.39Å; F147-L403 HydrophobicContact CD2-CD2 4.04Å; F147-L403 HydrophobicContact CE1-CD1 4.27Å; F147-L403 HydrophobicContact CE2-CD1 4.29Å; F147-L403 HydrophobicContact CG-CD1 4.46Å; F147-L403 HydrophobicContact CG-CD2 4.21Å; F147-L403 HydrophobicContact CZ-CD1 4.26Å
148	K	97.2	Very high	91.7	Very high	41 Å²	41	20.5 Å²	20.5	18%	0.178	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	110.2	173.4	-173.1	164.8	-64.6	-73.2	0	110.1	R173 F178 V179 R255 S257 D364	K148-R173 PolarHBondContact O-NH1 3.28Å; K148-F178 CarbonylContact O-C 3.59Å; K148-F178 VanDerWaalsContact O-CA 3.27Å; K148-F178 WeakPolarHBondContact O-CA 3.38Å; K148-V179 PolarHBondContact N-O 3.38Å; K148-V179 PolarHBondContact O-N 2.9Å; K148-R255 HydrophobicContact CD-CB 4.22Å; K148-R255 WeakPolarHBondContact CG-O 3.21Å; K148-R255 PolarHBondContact NZ-O 2.64Å; K148-S257 WeakPolarHBondContact CA-OG 3.11Å; K148-D364 IonicContact NZ-OD2 3.89Å; K148-D364 PolarHBondContact NZ-OD2 2.86Å
149	M	97	Very high	91.5	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	160.4	-168.8	-53.7	-52.3	-69.4	0	0	112.9	F147 F178 S256 I258 F396 L400	F147-M149 HydrophobicContact CB-SD 3.8Å; F147-M149 WeakPolarHBondContact O-CG 3.45Å; F147-M149 PolarHBondContact O-N 3.47Å; F147-M149 VanDerWaalsContact O-SD 3.35Å; M149-F178 HydrophobicContact CE-CB 4.19Å; M149-F178 HydrophobicContact SD-CB 3.84Å; M149-S256 WeakPolarHBondContact CB-O 3.48Å; M149-S256 PolarHBondContact N-O 2.82Å; M149-I258 HydrophobicContact CE-CD1 3.74Å; M149-I258 HydrophobicContact CG-CB 4.41Å; M149-I258 HydrophobicContact CG-CD1 4.05Å; M149-I258 HydrophobicContact CG-CG1 3.86Å; M149-I258 HydrophobicContact SD-CB 4.14Å; M149-I258 HydrophobicContact SD-CD1 3.83Å; M149-I258 HydrophobicContact SD-CG1 3.99Å; M149-F396 HydrophobicContact CB-CD2 3.52Å; M149-F396 HydrophobicContact CB-CE2 3.67Å; M149-F396 HydrophobicContact CB-CG 4.47Å; M149-F396 HydrophobicContact CG-CD2 4.19Å; M149-F396 HydrophobicContact CG-CE2 3.83Å; M149-L400 HydrophobicContact CE-CB 4.22Å; M149-L400 VanDerWaalsContact CE-N 3.31Å
150	G	95.4	Very high	91.4	Very high	5 Å²	5	25 Å²	25	5%	0.052	14%	0.137	C	C	.	.			trans	104.6	139.2	176.5	0	0	0	0	0	113.5	V152 R173 G177	G150-V152 PolarHBondContact O-N 3.27Å; G150-R173 WeakPolarHBondContact O-CD 3.07Å; G150-R173 VanDerWaalsContact O-CG 3.24Å; G150-R173 WeakPolarHBondContact O-CG 3.47Å; G150-R173 PolarHBondContact O-NH1 2.77Å; G150-G177 CarbonylContact C-O 3.49Å; G150-G177 WeakPolarHBondContact CA-O 3.28Å; G150-G177 PolarHBondContact N-O 3.04Å
151	T	95	Very high	91.5	Very high	17 Å²	17	24.3 Å²	24.3	10%	0.104	14%	0.14	C	C	.	.	S	Bend	trans	-65.7	-23.9	170.3	49.7	0	0	0	0	112.4	R173 G395	T151-R173 WeakPolarHBondContact O-CD 3.39Å; T151-R173 WeakPolarHBondContact O-CG 3.45Å; T151-G395 VanDerWaalsContact OG1-CA 3.23Å; T151-G395 WeakPolarHBondContact OG1-CA 3.48Å
152	V	93.2	Very high	91.4	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	14%	0.144	C	C	.	.			trans	-134.5	158.2	173.8	-60.7	0	0	0	0	110.5	G150 Y154 E391 L392	G150-V152 PolarHBondContact O-N 3.27Å; V152-Y154 HydrophobicContact CB-CD1 4.27Å; V152-Y154 HydrophobicContact CB-CE1 3.83Å; V152-Y154 HydrophobicContact CB-CE2 4.34Å; V152-Y154 HydrophobicContact CG1-CE1 4.02Å; V152-Y154 HydrophobicContact CG1-CE2 4.44Å; V152-E391 HydrophobicContact CG1-CG 4.27Å; V152-E391 HydrophobicContact CG2-CG 3.85Å; V152-L392 HydrophobicContact CG2-CD2 3.64Å; V152-L392 HydrophobicContact CG2-CG 4.33Å
153	T	91.5	Very high	91.2	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	15%	0.149	C	C	.	.			trans	-126.8	31	179.8	48.5	0	0	0	0	112.2	E166 C254 R255	T153-E166 PolarHBondContact OG1-OE2 2.95Å; T153-C254 VanDerWaalsContact C-SG 3.57Å; T153-R255 HydrophobicContact CG2-CG 3.92Å; T153-R255 PolarHBondContact O-NE 3.33Å; T153-R255 PolarHBondContact O-NH2 3.17Å
154	Y	89.5	Confident	91	Very high	6 Å²	6	28.3 Å²	28.3	2%	0.024	16%	0.163	C	C	.	.	S	Bend	trans	-138.8	148.6	179	50.4	-96.8	0	0	0	109.5	V152 I163 E166 E167 R174 W388	V152-Y154 HydrophobicContact CB-CD1 4.27Å; V152-Y154 HydrophobicContact CB-CE1 3.83Å; V152-Y154 HydrophobicContact CB-CE2 4.34Å; V152-Y154 HydrophobicContact CG1-CE1 4.02Å; V152-Y154 HydrophobicContact CG1-CE2 4.44Å; Y154-I163 HydrophobicContact CD2-CD1 4.47Å; Y154-I163 HydrophobicContact CD2-CG1 3.85Å; Y154-I163 HydrophobicContact CE1-CG2 4.05Å; Y154-I163 HydrophobicContact CE2-CD1 4.33Å; Y154-I163 HydrophobicContact CE2-CG1 3.94Å; Y154-I163 HydrophobicContact CE2-CG2 4.13Å; Y154-I163 HydrophobicContact CG-CG1 4.16Å; Y154-E166 HydrophobicContact CD1-CB 3.79Å; Y154-E166 HydrophobicContact CD1-CG 4.27Å; Y154-E166 HydrophobicContact CE1-CB 4.46Å; Y154-E167 HydrophobicContact CE1-CG 3.98Å; Y154-E167 PolarHBondContact OH-OE1 3.42Å; Y154-R174 PolarHBondContact OH-NH2 3.49Å; Y154-W388 HydrophobicContact CD2-CZ3 4.47Å; Y154-W388 AromaticContact CE2-CH2 3.97Å; Y154-W388 HydrophobicContact CE2-CH2 3.97Å; Y154-W388 AromaticContact CE2-CZ3 3.73Å; Y154-W388 HydrophobicContact CE2-CZ3 3.73Å
155	F	81.9	Confident	90.7	Very high	15 Å²	15	35.4 Å²	35.4	7%	0.066	19%	0.189	C	C	.	.			trans	-85.6	162.3	176.5	-78.6	-78.5	0	0	0	111.4	E26 G157 S158 C254 H367 L392	E26-F155 HydrophobicContact CG-CD2 3.65Å; E26-F155 HydrophobicContact CG-CE2 3.87Å; E26-F155 HydrophobicContact CG-CG 4.26Å; E26-F155 VanDerWaalsContact OE1-CD2 3.28Å; E26-F155 WeakPolarHBondContact OE1-CD2 3.29Å; E26-F155 WeakPolarHBondContact OE1-CE2 3.4Å; F155-G157 PolarHBondContact O-N 2.84Å; F155-S158 PolarHBondContact N-OG 3.39Å; F155-S158 VanDerWaalsContact O-CB 3.31Å; F155-S158 WeakPolarHBondContact O-CB 3.1Å; F155-S158 PolarHBondContact O-N 2.9Å; F155-S158 VanDerWaalsContact O-N 3.1Å; F155-S158 PolarHBondContact O-OG 2.79Å; F155-C254 HydrophobicContact CD2-CB 4.37Å; F155-C254 HydrophobicContact CE1-CB 3.98Å; F155-C254 HydrophobicContact CE2-CB 3.66Å; F155-C254 HydrophobicContact CZ-CB 3.43Å; F155-C254 VanDerWaalsContact CZ-CB 3.43Å; F155-H367 HydrophobicContact CE2-CB 3.83Å; F155-H367 AromaticContact CE2-ND1 3.97Å; F155-H367 HydrophobicContact CZ-CB 4.26Å; F155-L392 HydrophobicContact CD1-CD1 3.8Å; F155-L392 HydrophobicContact CE1-CD1 3.98Å
156	P	72.1	Confident	90.4	Very high	10 Å²	10	36.4 Å²	36.4	7%	0.065	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	136.2	176.3	-27	42.6	0	0	0	110.8	I23 L24 S158 W388	I23-P156 WeakPolarHBondContact CG2-O 3.29Å; L24-P156 HydrophobicContact CB-CB 4.12Å; L24-P156 HydrophobicContact CB-CG 4.17Å; L24-P156 HydrophobicContact CD1-CB 4.42Å; L24-P156 HydrophobicContact CD1-CG 3.96Å; P156-S158 VanDerWaalsContact C-N 3.29Å; P156-S158 PolarHBondContact O-N 2.88Å; P156-W388 HydrophobicContact CB-CB 3.89Å; P156-W388 HydrophobicContact CB-CD2 4.13Å; P156-W388 HydrophobicContact CB-CG 3.58Å; P156-W388 HydrophobicContact CG-CB 3.06Å; P156-W388 HydrophobicContact CG-CD2 3.9Å; P156-W388 HydrophobicContact CG-CE3 4.47Å; P156-W388 HydrophobicContact CG-CG 3.26Å
157	G	76.4	Confident	90	Very high	38 Å²	38	39.5 Å²	39.5	39%	0.392	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	9.8	-177	0	0	0	0	0	115.3	F155	F155-G157 PolarHBondContact O-N 2.84Å
158	S	83.4	Confident	89.8	Confident	17 Å²	17	46.1 Å²	46.1	12%	0.119	24%	0.243	C	C	.	.			trans	-53.6	143.2	160.1	-68	0	0	0	0	110.2	F155 P156 K162	F155-S158 PolarHBondContact N-OG 3.39Å; F155-S158 VanDerWaalsContact O-CB 3.31Å; F155-S158 WeakPolarHBondContact O-CB 3.1Å; F155-S158 PolarHBondContact O-N 2.9Å; F155-S158 VanDerWaalsContact O-N 3.1Å; F155-S158 PolarHBondContact O-OG 2.79Å; P156-S158 VanDerWaalsContact C-N 3.29Å; P156-S158 PolarHBondContact O-N 2.88Å; S158-K162 PolarHBondContact OG-NZ 3.46Å
159	S	89.7	Confident	89.6	Confident	66 Å²	66	47.5 Å²	47.5	46%	0.462	25%	0.249	S	C	.	.			trans	-60.9	153.4	177.3	65.5	0	0	0	0	111.2	D161 K162 I163	S159-D161 PolarHBondContact O-N 3.23Å; S159-K162 WeakPolarHBondContact O-CA 3.46Å; S159-K162 WeakPolarHBondContact O-CB 3.11Å; S159-K162 PolarHBondContact O-N 3.39Å; S159-K162 WeakPolarHBondContact OG-CB 3.23Å; S159-K162 PolarHBondContact OG-N 3.17Å; S159-I163 WeakPolarHBondContact O-CG1 3.26Å; S159-I163 PolarHBondContact O-N 2.96Å
160	Q	91.1	Very high	89.5	Confident	127 Å²	127	47.8 Å²	47.8	59%	0.593	25%	0.25	S	C	*	.	H	α-helix	trans	-55.8	-41.2	178.5	-169.8	58.3	38.3	0	0	111.2	K162 I163 S164	Q160-K162 VanDerWaalsContact C-N 3.32Å; Q160-K162 PolarHBondContact O-N 3.18Å; Q160-I163 PolarHBondContact O-N 2.84Å; Q160-I163 VanDerWaalsContact O-N 3.17Å; Q160-S164 PolarHBondContact O-N 3.21Å; Q160-S164 PolarHBondContact O-OG 3.44Å; Q160-S164 VanDerWaalsContact O-OG 3.11Å
161	D	93	Very high	89.4	Confident	107 Å²	107	53.7 Å²	53.7	57%	0.572	28%	0.279	S	S	*	.	H	α-helix	trans	-59.6	-39.6	174.7	-60.1	-22.5	0	0	0	113.1	S159 R165	S159-D161 PolarHBondContact O-N 3.23Å; D161-R165 VanDerWaalsContact O-CB 3.28Å; D161-R165 WeakPolarHBondContact O-CB 3.42Å; D161-R165 WeakPolarHBondContact O-CG 3.28Å; D161-R165 PolarHBondContact O-N 3.32Å; D161-R165 PolarHBondContact O-NE 2.85Å
162	K	90.2	Very high	89.5	Confident	58 Å²	58	57 Å²	57	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-67.3	-43	176.8	179.9	175.9	171.6	-168.2	0	110.4	S158 S159 Q160 E166	S158-K162 PolarHBondContact OG-NZ 3.46Å; S159-K162 WeakPolarHBondContact O-CA 3.46Å; S159-K162 WeakPolarHBondContact O-CB 3.11Å; S159-K162 PolarHBondContact O-N 3.39Å; S159-K162 WeakPolarHBondContact OG-CB 3.23Å; S159-K162 PolarHBondContact OG-N 3.17Å; Q160-K162 VanDerWaalsContact C-N 3.32Å; Q160-K162 PolarHBondContact O-N 3.18Å; K162-E166 VanDerWaalsContact O-CG 3.29Å; K162-E166 WeakPolarHBondContact O-CG 3.35Å; K162-E166 PolarHBondContact O-N 2.9Å
163	I	90.7	Very high	89.6	Confident	23 Å²	23	57.8 Å²	57.8	12%	0.118	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-57	176.9	-65.9	171.4	0	0	0	109.7	Y154 S159 Q160 R165 E166 E167	Y154-I163 HydrophobicContact CD2-CD1 4.47Å; Y154-I163 HydrophobicContact CD2-CG1 3.85Å; Y154-I163 HydrophobicContact CE1-CG2 4.05Å; Y154-I163 HydrophobicContact CE2-CD1 4.33Å; Y154-I163 HydrophobicContact CE2-CG1 3.94Å; Y154-I163 HydrophobicContact CE2-CG2 4.13Å; Y154-I163 HydrophobicContact CG-CG1 4.16Å; S159-I163 WeakPolarHBondContact O-CG1 3.26Å; S159-I163 PolarHBondContact O-N 2.96Å; Q160-I163 PolarHBondContact O-N 2.84Å; Q160-I163 VanDerWaalsContact O-N 3.17Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.11Å; I163-E166 PolarHBondContact O-N 3.44Å; I163-E167 HydrophobicContact CG2-CG 4.39Å; I163-E167 WeakPolarHBondContact O-CG 3.37Å; I163-E167 PolarHBondContact O-N 3.25Å
164	S	92.6	Very high	89.7	Confident	46 Å²	46	62.8 Å²	62.8	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-56	-44.3	-180	-57.7	0	0	0	0	112.1	Q160 E166 E167 L168	Q160-S164 PolarHBondContact O-N 3.21Å; Q160-S164 PolarHBondContact O-OG 3.44Å; Q160-S164 VanDerWaalsContact O-OG 3.11Å; S164-E166 PolarHBondContact O-N 3.44Å; S164-E167 PolarHBondContact O-N 3.04Å; S164-L168 WeakPolarHBondContact O-CB 3.19Å; S164-L168 VanDerWaalsContact O-CG 3.23Å; S164-L168 WeakPolarHBondContact O-CG 3.2Å; S164-L168 PolarHBondContact O-N 2.79Å
165	R	92.2	Very high	90	Very high	151 Å²	151	66.4 Å²	66.4	57%	0.57	33%	0.327	S	S	*	.	H	α-helix	trans	-64.3	-34.7	176.6	-76.6	-173.5	-56.1	-118.1	-0.2	113.6	D161 I163 K169	D161-R165 VanDerWaalsContact O-CB 3.28Å; D161-R165 WeakPolarHBondContact O-CB 3.42Å; D161-R165 WeakPolarHBondContact O-CG 3.28Å; D161-R165 PolarHBondContact O-N 3.32Å; D161-R165 PolarHBondContact O-NE 2.85Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.11Å; R165-K169 WeakPolarHBondContact O-CG 3.34Å
166	E	90.7	Very high	90.7	Very high	21 Å²	21	65.8 Å²	65.8	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-74.5	-39.8	177.7	-71.3	-62.3	148.3	0	0	111.5	T153 Y154 K162 I163 S164 K169 R255	T153-E166 PolarHBondContact OG1-OE2 2.95Å; Y154-E166 HydrophobicContact CD1-CB 3.79Å; Y154-E166 HydrophobicContact CD1-CG 4.27Å; Y154-E166 HydrophobicContact CE1-CB 4.46Å; K162-E166 VanDerWaalsContact O-CG 3.29Å; K162-E166 WeakPolarHBondContact O-CG 3.35Å; K162-E166 PolarHBondContact O-N 2.9Å; I163-E166 PolarHBondContact O-N 3.44Å; S164-E166 PolarHBondContact O-N 3.44Å; E166-K169 WeakPolarHBondContact O-CB 3.48Å; E166-K169 PolarHBondContact O-N 2.87Å; E166-K169 IonicContact OE1-NZ 2.68Å; E166-K169 PolarHBondContact OE1-NZ 2.96Å; E166-K169 IonicContact OE2-NZ 3.53Å; E166-K169 PolarHBondContact OE2-NZ 3.3Å; E166-R255 IonicContact OE1-CZ 2.71Å; E166-R255 IonicContact OE1-NH2 2.79Å; E166-R255 PolarHBondContact OE1-NH2 3.32Å; E166-R255 IonicContact OE2-NH2 3.58Å
167	E	90.2	Very high	91.9	Very high	74 Å²	74	65.3 Å²	65.3	35%	0.346	32%	0.321	S	S	.	.	H	α-helix	trans	-66	-41.3	177.8	-68.5	-174.8	141.3	0	0	111.9	Y154 I163 S164 K169 Y170 R174	Y154-E167 HydrophobicContact CE1-CG 3.98Å; Y154-E167 PolarHBondContact OH-OE1 3.42Å; I163-E167 HydrophobicContact CG2-CG 4.39Å; I163-E167 WeakPolarHBondContact O-CG 3.37Å; I163-E167 PolarHBondContact O-N 3.25Å; S164-E167 PolarHBondContact O-N 3.04Å; E167-K169 PolarHBondContact O-N 2.85Å; E167-K169 VanDerWaalsContact O-N 3.17Å; E167-Y170 PolarHBondContact O-N 3.3Å; E167-R174 IonicContact OE1-CZ 3.63Å; E167-R174 IonicContact OE1-NE 2.84Å; E167-R174 IonicContact OE1-NH2 2.68Å; E167-R174 PolarHBondContact OE1-NH2 2.93Å
168	L	93.2	Very high	92.9	Very high	139 Å²	139	63.6 Å²	63.6	73%	0.728	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.7	177.2	-73.3	171.8	0	0	0	114.1	S164 Y170	S164-L168 WeakPolarHBondContact O-CB 3.19Å; S164-L168 VanDerWaalsContact O-CG 3.23Å; S164-L168 WeakPolarHBondContact O-CG 3.2Å; S164-L168 PolarHBondContact O-N 2.79Å; L168-Y170 VanDerWaalsContact C-N 3.27Å; L168-Y170 PolarHBondContact O-N 2.73Å
169	K	92.7	Very high	93.5	Very high	69 Å²	69	63 Å²	63	30%	0.3	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-30.8	178.9	-74.8	170.3	-169	176.8	0	112.7	R165 E166 E167 R202	R165-K169 WeakPolarHBondContact O-CG 3.34Å; E166-K169 WeakPolarHBondContact O-CB 3.48Å; E166-K169 PolarHBondContact O-N 2.87Å; E166-K169 IonicContact OE1-NZ 2.68Å; E166-K169 PolarHBondContact OE1-NZ 2.96Å; E166-K169 IonicContact OE2-NZ 3.53Å; E166-K169 PolarHBondContact OE2-NZ 3.3Å; E167-K169 PolarHBondContact O-N 2.85Å; E167-K169 VanDerWaalsContact O-N 3.17Å; K169-R202 WeakPolarHBondContact O-CB 3.42Å; K169-R202 WeakPolarHBondContact O-CD 3.34Å; K169-R202 VanDerWaalsContact O-CG 3.26Å; K169-R202 WeakPolarHBondContact O-CG 3.37Å
170	Y	94.9	Very high	93.8	Very high	8 Å²	8	59.9 Å²	59.9	3%	0.031	28%	0.277	C	S	.	.			trans	-162.3	100.6	-178.9	-170.6	-123.4	0	0	0	111.7	E167 L168 W172 R173 L176 V179 G201 R202 L204	E167-Y170 PolarHBondContact O-N 3.3Å; L168-Y170 VanDerWaalsContact C-N 3.27Å; L168-Y170 PolarHBondContact O-N 2.73Å; Y170-W172 HydrophobicContact CD1-CB 4.23Å; Y170-W172 HydrophobicContact CE1-CB 3.71Å; Y170-W172 HydrophobicContact CE2-CB 4.21Å; Y170-W172 PolarHBondContact O-N 3.18Å; Y170-W172 VanDerWaalsContact O-N 3.14Å; Y170-R173 HydrophobicContact CD1-CB 3.85Å; Y170-R173 VanDerWaalsContact CD1-N 3.26Å; Y170-R173 VanDerWaalsContact O-CB 3.31Å; Y170-R173 WeakPolarHBondContact O-CB 3.34Å; Y170-R173 PolarHBondContact O-N 3.16Å; Y170-R173 VanDerWaalsContact O-N 3.07Å; Y170-L176 HydrophobicContact CE1-CD1 3.75Å; Y170-L176 WeakPolarHBondContact OH-CD1 3.45Å; Y170-V179 HydrophobicContact CD1-CB 4.3Å; Y170-V179 HydrophobicContact CD1-CG1 4.33Å; Y170-V179 HydrophobicContact CD1-CG2 3.26Å; Y170-V179 HydrophobicContact CE1-CG2 3.86Å; Y170-V179 HydrophobicContact CG-CG1 4.35Å; Y170-V179 HydrophobicContact CG-CG2 3.81Å; Y170-G201 WeakPolarHBondContact CE2-O 3.36Å; Y170-R202 VanDerWaalsContact CD2-O 3.3Å; Y170-R202 WeakPolarHBondContact CD2-O 3.3Å; Y170-L204 WeakPolarHBondContact CE2-O 3.09Å; Y170-L204 VanDerWaalsContact CZ-O 3.28Å; Y170-L204 PolarHBondContact OH-O 2.93Å
171	I	94	Very high	94	Very high	129 Å²	129	54.4 Å²	54.4	66%	0.662	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.9	-175.7	64	175.1	0	0	0	113.4
172	W	96	Very high	94.1	Very high	86 Å²	86	49.3 Å²	49.3	33%	0.326	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.3	-178.7	-56.7	112.4	0	0	0	113.9	Y170 R174 K175 L176 P206	Y170-W172 HydrophobicContact CD1-CB 4.23Å; Y170-W172 HydrophobicContact CE1-CB 3.71Å; Y170-W172 HydrophobicContact CE2-CB 4.21Å; Y170-W172 PolarHBondContact O-N 3.18Å; Y170-W172 VanDerWaalsContact O-N 3.14Å; W172-R174 VanDerWaalsContact C-N 3.33Å; W172-R174 PolarHBondContact O-N 2.92Å; W172-K175 HydrophobicContact CE3-CD 3.99Å; W172-K175 HydrophobicContact CZ3-CD 4.19Å; W172-K175 PolarHBondContact O-N 3.38Å; W172-K175 VanDerWaalsContact O-N 3.09Å; W172-L176 HydrophobicContact CB-CD1 3.98Å; W172-L176 HydrophobicContact CB-CG 4.45Å; W172-L176 PolarHBondContact O-N 3.34Å; W172-P206 HydrophobicContact CB-CG 4.33Å; W172-P206 HydrophobicContact CD2-CG 3.9Å; W172-P206 HydrophobicContact CE3-CG 3.79Å; W172-P206 HydrophobicContact CG-CG 4.14Å; W172-P206 HydrophobicContact CZ3-CG 4.38Å
173	R	95.9	Very high	94.4	Very high	21 Å²	21	46.6 Å²	46.6	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-55.9	-44.8	-175.2	-176.6	-178.8	-82.7	-79.6	-1	112.3	K148 G150 T151 Y170 K175 L176 G177 V179	K148-R173 PolarHBondContact O-NH1 3.28Å; G150-R173 WeakPolarHBondContact O-CD 3.07Å; G150-R173 VanDerWaalsContact O-CG 3.24Å; G150-R173 WeakPolarHBondContact O-CG 3.47Å; G150-R173 PolarHBondContact O-NH1 2.77Å; T151-R173 WeakPolarHBondContact O-CD 3.39Å; T151-R173 WeakPolarHBondContact O-CG 3.45Å; Y170-R173 HydrophobicContact CD1-CB 3.85Å; Y170-R173 VanDerWaalsContact CD1-N 3.26Å; Y170-R173 VanDerWaalsContact O-CB 3.31Å; Y170-R173 WeakPolarHBondContact O-CB 3.34Å; Y170-R173 PolarHBondContact O-N 3.16Å; Y170-R173 VanDerWaalsContact O-N 3.07Å; R173-K175 VanDerWaalsContact C-N 3.33Å; R173-K175 PolarHBondContact O-N 3.12Å; R173-L176 PolarHBondContact O-N 3.09Å; R173-G177 VanDerWaalsContact O-CA 3.3Å; R173-G177 WeakPolarHBondContact O-CA 3.48Å; R173-G177 PolarHBondContact O-N 3.42Å; R173-V179 HydrophobicContact CB-CG2 4.44Å; R173-V179 HydrophobicContact CG-CG2 4.35Å
174	R	94.1	Very high	94.6	Very high	108 Å²	108	45.5 Å²	45.5	41%	0.408	21%	0.208	S	C	.	.	H	α-helix	trans	-64.8	-37.7	-179.6	-70	-175.1	177	-76.4	0.7	112	Y154 E167 W172 E391	Y154-R174 PolarHBondContact OH-NH2 3.49Å; E167-R174 IonicContact OE1-CZ 3.63Å; E167-R174 IonicContact OE1-NE 2.84Å; E167-R174 IonicContact OE1-NH2 2.68Å; E167-R174 PolarHBondContact OE1-NH2 2.93Å; W172-R174 VanDerWaalsContact C-N 3.33Å; W172-R174 PolarHBondContact O-N 2.92Å; R174-E391 IonicContact CZ-OE1 2.9Å; R174-E391 IonicContact NH1-OE1 2.83Å; R174-E391 PolarHBondContact NH1-OE1 2.85Å
175	K	95.2	Very high	94.7	Very high	82 Å²	82	44.6 Å²	44.6	36%	0.357	20%	0.199	S	C	.	.	H	α-helix	trans	-69	-49.1	177.6	-176.8	174.9	176.2	-175.9	0	111.2	W172 R173 P206 F325 H398 N402	W172-K175 HydrophobicContact CE3-CD 3.99Å; W172-K175 HydrophobicContact CZ3-CD 4.19Å; W172-K175 PolarHBondContact O-N 3.38Å; W172-K175 VanDerWaalsContact O-N 3.09Å; R173-K175 VanDerWaalsContact C-N 3.33Å; R173-K175 PolarHBondContact O-N 3.12Å; K175-P206 HydrophobicContact CD-CG 3.95Å; K175-F325 HydrophobicContact CG-CG 4.48Å; K175-H398 PolarHBondContact O-NE2 2.87Å; K175-N402 PolarHBondContact O-ND2 2.74Å
176	L	96.5	Very high	94.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-81.3	-34.1	-174.4	-70.7	172.2	0	0	0	113.7	Y170 W172 R173 F178 P206 V209 F325 N402	Y170-L176 HydrophobicContact CE1-CD1 3.75Å; Y170-L176 WeakPolarHBondContact OH-CD1 3.45Å; W172-L176 HydrophobicContact CB-CD1 3.98Å; W172-L176 HydrophobicContact CB-CG 4.45Å; W172-L176 PolarHBondContact O-N 3.34Å; R173-L176 PolarHBondContact O-N 3.09Å; L176-F178 VanDerWaalsContact C-N 3.27Å; L176-F178 HydrophobicContact CB-CD1 4.48Å; L176-F178 HydrophobicContact CB-CE1 4.38Å; L176-F178 HydrophobicContact CB-CZ 4.46Å; L176-F178 HydrophobicContact CD2-CZ 4.37Å; L176-F178 WeakPolarHBondContact O-CD1 3.33Å; L176-P206 HydrophobicContact CD1-CG 4.38Å; L176-P206 HydrophobicContact CD2-CB 3.91Å; L176-P206 HydrophobicContact CD2-CG 4.32Å; L176-P206 HydrophobicContact CG-CB 4.43Å; L176-P206 HydrophobicContact CG-CG 4.32Å; L176-V209 HydrophobicContact CD1-CG2 3.98Å; L176-F325 HydrophobicContact CD2-CE1 3.54Å; L176-F325 HydrophobicContact CD2-CE2 4.09Å; L176-F325 HydrophobicContact CD2-CZ 3.25Å; L176-N402 WeakPolarHBondContact O-CB 3.44Å; L176-N402 PolarHBondContact O-ND2 2.52Å
177	G	97	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	76.8	7.8	-172.3	0	0	0	0	0	114.4	G150 R173 G399	G150-G177 CarbonylContact C-O 3.49Å; G150-G177 WeakPolarHBondContact CA-O 3.28Å; G150-G177 PolarHBondContact N-O 3.04Å; R173-G177 VanDerWaalsContact O-CA 3.3Å; R173-G177 WeakPolarHBondContact O-CA 3.48Å; R173-G177 PolarHBondContact O-N 3.42Å; G177-G399 VanDerWaalsContact O-CA 3.25Å; G177-G399 WeakPolarHBondContact O-CA 3.28Å
178	F	97.1	Very high	94.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	173.3	176.1	61.6	-100.9	0	0	0	111.4	F147 K148 M149 L176 V209 G399 N402 L403 L406	F147-F178 AromaticContact CD1-CD2 3.64Å; F147-F178 HydrophobicContact CD1-CD2 3.64Å; F147-F178 AromaticContact CD1-CE2 3.88Å; F147-F178 HydrophobicContact CD1-CE2 3.88Å; F147-F178 HydrophobicContact CD1-CG 4.37Å; F147-F178 HydrophobicContact CE1-CD2 4.34Å; F147-F178 HydrophobicContact CE1-CE2 4.14Å; K148-F178 CarbonylContact O-C 3.59Å; K148-F178 VanDerWaalsContact O-CA 3.27Å; K148-F178 WeakPolarHBondContact O-CA 3.38Å; M149-F178 HydrophobicContact CE-CB 4.19Å; M149-F178 HydrophobicContact SD-CB 3.84Å; L176-F178 VanDerWaalsContact C-N 3.27Å; L176-F178 HydrophobicContact CB-CD1 4.48Å; L176-F178 HydrophobicContact CB-CE1 4.38Å; L176-F178 HydrophobicContact CB-CZ 4.46Å; L176-F178 HydrophobicContact CD2-CZ 4.37Å; L176-F178 WeakPolarHBondContact O-CD1 3.33Å; F178-V209 HydrophobicContact CE2-CG1 3.87Å; F178-V209 HydrophobicContact CZ-CG1 4.13Å; F178-G399 WeakPolarHBondContact CD1-O 3.46Å; F178-N402 HydrophobicContact CE1-CB 4.05Å; F178-L403 HydrophobicContact CE1-CB 4.24Å; F178-L406 HydrophobicContact CZ-CD2 4.42Å
179	V	96.3	Very high	93.8	Very high	5 Å²	5	38 Å²	38	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.2	168.7	-177.1	0	0	0	0	109.2	F147 K148 Y170 R173 S181 R202	F147-V179 CarbonylContact C-O 3.52Å; F147-V179 WeakPolarHBondContact CA-O 3.21Å; K148-V179 PolarHBondContact N-O 3.38Å; K148-V179 PolarHBondContact O-N 2.9Å; Y170-V179 HydrophobicContact CD1-CB 4.3Å; Y170-V179 HydrophobicContact CD1-CG1 4.33Å; Y170-V179 HydrophobicContact CD1-CG2 3.26Å; Y170-V179 HydrophobicContact CE1-CG2 3.86Å; Y170-V179 HydrophobicContact CG-CG1 4.35Å; Y170-V179 HydrophobicContact CG-CG2 3.81Å; R173-V179 HydrophobicContact CB-CG2 4.44Å; R173-V179 HydrophobicContact CG-CG2 4.35Å; V179-S181 PolarHBondContact O-N 3.25Å; V179-R202 HydrophobicContact CG1-CG 4.37Å
180	L	96.9	Very high	93.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	105.5	166.9	-171.2	162.3	0	0	0	107.7	D146 F147 M183 F200 G201 L204	D146-L180 CarbonylContact O-C 3.58Å; F147-L180 HydrophobicContact CD1-CB 4.42Å; F147-L180 HydrophobicContact CE1-CB 4.08Å; F147-L180 HydrophobicContact CE1-CD1 4.37Å; F147-L180 HydrophobicContact CE1-CG 4.22Å; L180-M183 HydrophobicContact CD1-SD 4.26Å; L180-M183 HydrophobicContact CD2-CB 3.97Å; L180-F200 HydrophobicContact CD2-CD1 4.22Å; L180-F200 HydrophobicContact CD2-CE1 4.49Å; L180-G201 VanDerWaalsContact O-CA 3.29Å; L180-G201 WeakPolarHBondContact O-CA 3.35Å; L180-L204 HydrophobicContact CD1-CD1 4.16Å
181	S	94.7	Very high	92.9	Very high	12 Å²	12	42.2 Å²	42.2	8%	0.084	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-17.2	-167.5	105	0	0	0	0	112.7	D146 V179 K198	D146-S181 PolarHBondContact O-N 2.88Å; D146-S181 WeakPolarHBondContact OD1-CB 3.25Å; D146-S181 PolarHBondContact OD1-OG 2.7Å; V179-S181 PolarHBondContact O-N 3.25Å; S181-K198 WeakPolarHBondContact O-CA 3.45Å; S181-K198 WeakPolarHBondContact O-CB 3.38Å; S181-K198 PolarHBondContact O-N 2.88Å
182	G	95	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	151.1	170.7	0	0	0	0	0	109.6	V55 D146	V55-G182 WeakPolarHBondContact O-CA 3.41Å; D146-G182 PolarHBondContact N-O 3.3Å
183	M	96.2	Very high	92.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	144.6	176.2	177	176.6	78.2	0	0	109.7	I144 C145 L180 I185 F196 F200 F217	I144-M183 CarbonylContact O-C 3.58Å; I144-M183 VanDerWaalsContact O-CA 3.28Å; I144-M183 WeakPolarHBondContact O-CA 3.18Å; C145-M183 HydrophobicContact CB-CG 4.39Å; L180-M183 HydrophobicContact CD1-SD 4.26Å; L180-M183 HydrophobicContact CD2-CB 3.97Å; M183-I185 HydrophobicContact CE-CD1 3.97Å; M183-I185 HydrophobicContact CG-CG1 4.28Å; M183-I185 HydrophobicContact SD-CD1 4.31Å; M183-F196 HydrophobicContact CB-CB 4.13Å; M183-F196 HydrophobicContact CB-CD2 4.38Å; M183-F196 HydrophobicContact CE-CB 4.23Å; M183-F196 HydrophobicContact CE-CD1 4.06Å; M183-F196 HydrophobicContact CE-CD2 3.44Å; M183-F196 VanDerWaalsContact CE-CD2 3.44Å; M183-F196 HydrophobicContact CE-CE1 4.28Å; M183-F196 HydrophobicContact CE-CE2 3.71Å; M183-F196 HydrophobicContact CE-CG 3.64Å; M183-F196 HydrophobicContact CE-CZ 4.12Å; M183-F196 HydrophobicContact CG-CD2 4.29Å; M183-F196 PolarHBondContact N-O 3.42Å; M183-F196 VanDerWaalsContact N-O 3.1Å; M183-F196 PolarHBondContact O-N 3.45Å; M183-F200 HydrophobicContact CE-CE1 3.9Å; M183-F200 HydrophobicContact CE-CZ 4.42Å; M183-F217 HydrophobicContact CG-CD2 4.29Å; M183-F217 HydrophobicContact SD-CB 3.76Å; M183-F217 HydrophobicContact SD-CG 4.46Å
184	Q	95.3	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.7	173.2	177.2	-171.9	-78	0	0	108.5	V55 P142 N143 I144 L193 I194 K195	V55-Q184 HydrophobicContact CG1-CB 3.5Å; V55-Q184 VanDerWaalsContact CG1-CB 3.5Å; P142-Q184 PolarHBondContact O-NE2 3.1Å; P142-Q184 VanDerWaalsContact O-NE2 3.12Å; N143-Q184 CarbonylContact C-O 3.56Å; N143-Q184 WeakPolarHBondContact CA-O 3.43Å; I144-Q184 HydrophobicContact CB-CB 4.5Å; I144-Q184 PolarHBondContact N-O 3.2Å; I144-Q184 PolarHBondContact O-N 3.05Å; Q184-L193 HydrophobicContact CG-CB 4.1Å; Q184-L193 HydrophobicContact CG-CD2 4.25Å; Q184-I194 CarbonylContact C-O 3.48Å; Q184-I194 VanDerWaalsContact CA-O 3.27Å; Q184-I194 WeakPolarHBondContact CA-O 3.42Å; Q184-K195 HydrophobicContact CB-CG 4.37Å; Q184-K195 HydrophobicContact CG-CG 4.16Å
185	I	95.3	Very high	92	Very high	27 Å²	27	29.3 Å²	29.3	14%	0.138	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132	175.4	-58.9	174.4	0	0	0	107.7	N143 M183 I194 F196 P216	N143-I185 VanDerWaalsContact OD1-CA 3.24Å; N143-I185 WeakPolarHBondContact OD1-CA 3.48Å; N143-I185 WeakPolarHBondContact OD1-CG2 3.47Å; M183-I185 HydrophobicContact CE-CD1 3.97Å; M183-I185 HydrophobicContact CG-CG1 4.28Å; M183-I185 HydrophobicContact SD-CD1 4.31Å; I185-I194 PolarHBondContact N-O 3.19Å; I185-I194 PolarHBondContact O-N 3.04Å; I185-F196 HydrophobicContact CD1-CE2 3.92Å; I185-F196 HydrophobicContact CD1-CZ 4.5Å; I185-F196 HydrophobicContact CG1-CE2 4.24Å; I185-P216 HydrophobicContact CD1-CB 4.26Å
186	S	92.7	Very high	92	Very high	10 Å²	10	26.2 Å²	26.2	7%	0.07	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122	172.1	-171.9	0	0	0	0	109.4	Q141 N143 T188 S264	Q141-S186 PolarHBondContact OE1-OG 3.25Å; N143-S186 PolarHBondContact OD1-N 3.42Å; S186-T188 PolarHBondContact O-N 2.93Å; S186-S264 VanDerWaalsContact CB-OG 3.31Å; S186-S264 WeakPolarHBondContact CB-OG 3.23Å
187	D	88.2	Confident	91.7	Very high	33 Å²	33	28.4 Å²	28.4	18%	0.176	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	95.6	168.3	-174	-23	0	0	0	108.2	K189 N190 H191 C192 I194	D187-K189 PolarHBondContact O-N 3.34Å; D187-K189 WeakPolarHBondContact OD1-CB 3.5Å; D187-K189 PolarHBondContact OD1-N 2.9Å; D187-N190 HydrophobicContact CB-CB 4.47Å; D187-N190 PolarHBondContact O-N 3.11Å; D187-N190 PolarHBondContact OD1-N 3.17Å; D187-N190 PolarHBondContact OD2-ND2 3.07Å; D187-H191 WeakPolarHBondContact O-CA 3.47Å; D187-H191 PolarHBondContact O-N 2.81Å; D187-C192 PolarHBondContact N-O 3.42Å; D187-C192 PolarHBondContact O-N 3.43Å; D187-I194 HydrophobicContact CB-CD1 4.12Å; D187-I194 HydrophobicContact CB-CG1 4.37Å
188	T	83	Confident	91.4	Very high	33 Å²	33	32.9 Å²	32.9	20%	0.202	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.7	-177.8	67	0	0	0	0	112.7	S186 H191	S186-T188 PolarHBondContact O-N 2.93Å; T188-H191 PolarHBondContact O-CE1 2.66Å; T188-H191 PolarHBondContact O-ND1 2.83Å
189	K	82.9	Confident	91.2	Very high	171 Å²	171	35.2 Å²	35.2	74%	0.743	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-42.2	179.9	179.3	180	178.1	177.5	0	111.8	D187	D187-K189 PolarHBondContact O-N 3.34Å; D187-K189 WeakPolarHBondContact OD1-CB 3.5Å; D187-K189 PolarHBondContact OD1-N 2.9Å
190	N	84.5	Confident	91.1	Very high	106 Å²	106	36.7 Å²	36.7	57%	0.567	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	1.6	-179.2	-62.8	-56.3	0	0	0	113.2	D187 C192	D187-N190 HydrophobicContact CB-CB 4.47Å; D187-N190 PolarHBondContact O-N 3.11Å; D187-N190 PolarHBondContact OD1-N 3.17Å; D187-N190 PolarHBondContact OD2-ND2 3.07Å; N190-C192 VanDerWaalsContact C-N 3.26Å; N190-C192 PolarHBondContact O-N 3.25Å
191	H	83.2	Confident	90.9	Very high	59 Å²	59	36.6 Å²	36.6	27%	0.273	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.6	-180	-54.8	-67.6	0	0	0	113.2	D187 T188 Y274 P276 S277	D187-H191 WeakPolarHBondContact O-CA 3.47Å; D187-H191 PolarHBondContact O-N 2.81Å; T188-H191 PolarHBondContact O-CE1 2.66Å; T188-H191 PolarHBondContact O-ND1 2.83Å; H191-Y274 HydrophobicContact CB-CD1 3.76Å; H191-Y274 HydrophobicContact CB-CE1 3.87Å; H191-Y274 AromaticContact CG-CD1 3.82Å; H191-P276 WeakPolarHBondContact O-CA 3.33Å; H191-S277 PolarHBondContact O-N 3.33Å
192	C	87.2	Confident	90.9	Very high	20 Å²	20	40.7 Å²	40.7	14%	0.135	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	161.5	-177.9	72.8	0	0	0	0	112.4	D187 N190 K278	D187-C192 PolarHBondContact N-O 3.42Å; D187-C192 PolarHBondContact O-N 3.43Å; N190-C192 VanDerWaalsContact C-N 3.26Å; N190-C192 PolarHBondContact O-N 3.25Å; C192-K278 CarbonylContact C-O 3.59Å; C192-K278 VanDerWaalsContact CA-O 3.23Å; C192-K278 WeakPolarHBondContact CA-O 3.29Å; C192-K278 WeakPolarHBondContact CB-O 3.29Å
193	L	90.1	Very high	90.9	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.9	175.9	-61.4	174.2	0	0	0	109.7	F53 Q184 P276 K278 S279 C280	F53-L193 HydrophobicContact CD1-CD1 3.92Å; F53-L193 HydrophobicContact CE1-CD1 3.75Å; Q184-L193 HydrophobicContact CG-CB 4.1Å; Q184-L193 HydrophobicContact CG-CD2 4.25Å; L193-P276 HydrophobicContact CD1-CB 4.23Å; L193-P276 HydrophobicContact CD2-CB 4.07Å; L193-P276 HydrophobicContact CD2-CG 3.86Å; L193-P276 HydrophobicContact CG-CB 3.73Å; L193-P276 HydrophobicContact CG-CG 4.07Å; L193-K278 PolarHBondContact N-O 3.14Å; L193-S279 CarbonylContact O-C 3.55Å; L193-S279 WeakPolarHBondContact O-CA 3.47Å; L193-C280 PolarHBondContact O-N 3.15Å
194	I	92.5	Very high	90.9	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.087	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.1	174.2	-53.8	173.3	0	0	0	108.1	Q184 I185 D187 F196 A282 P310	Q184-I194 CarbonylContact C-O 3.48Å; Q184-I194 VanDerWaalsContact CA-O 3.27Å; Q184-I194 WeakPolarHBondContact CA-O 3.42Å; I185-I194 PolarHBondContact N-O 3.19Å; I185-I194 PolarHBondContact O-N 3.04Å; D187-I194 HydrophobicContact CB-CD1 4.12Å; D187-I194 HydrophobicContact CB-CG1 4.37Å; I194-F196 HydrophobicContact CB-CE2 4.26Å; I194-F196 HydrophobicContact CG2-CD2 4.34Å; I194-F196 HydrophobicContact CG2-CE2 3.57Å; I194-F196 HydrophobicContact CG2-CZ 3.77Å; I194-A282 HydrophobicContact CG2-CB 4.12Å; I194-P310 HydrophobicContact CD1-CB 4.05Å; I194-P310 HydrophobicContact CD1-CG 4.07Å; I194-P310 HydrophobicContact CG2-CG 4.42Å
195	K	93.1	Very high	90.9	Very high	30 Å²	30	46.6 Å²	46.6	13%	0.13	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.6	179.8	-67.3	-169.8	175.9	-167.9	0	111.9	A52 Q54 Q184 C280 F281 A282	A52-K195 WeakPolarHBondContact O-CE 3.23Å; A52-K195 PolarHBondContact O-NZ 3.08Å; Q54-K195 PolarHBondContact O-NZ 3.11Å; Q184-K195 HydrophobicContact CB-CG 4.37Å; Q184-K195 HydrophobicContact CG-CG 4.16Å; K195-C280 PolarHBondContact N-O 3.3Å; K195-F281 HydrophobicContact CB-CD1 4Å; K195-F281 HydrophobicContact CB-CE1 4.21Å; K195-F281 HydrophobicContact CD-CE1 4.44Å; K195-F281 WeakPolarHBondContact O-CA 3.11Å; K195-A282 PolarHBondContact O-N 3.46Å
196	F	93.5	Very high	90.9	Very high	18 Å²	18	45.4 Å²	45.4	8%	0.079	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.6	175.1	-61.3	-98	0	0	0	108.9	M183 I185 I194 F200 A282 L312	M183-F196 HydrophobicContact CB-CB 4.13Å; M183-F196 HydrophobicContact CB-CD2 4.38Å; M183-F196 HydrophobicContact CE-CB 4.23Å; M183-F196 HydrophobicContact CE-CD1 4.06Å; M183-F196 HydrophobicContact CE-CD2 3.44Å; M183-F196 VanDerWaalsContact CE-CD2 3.44Å; M183-F196 HydrophobicContact CE-CE1 4.28Å; M183-F196 HydrophobicContact CE-CE2 3.71Å; M183-F196 HydrophobicContact CE-CG 3.64Å; M183-F196 HydrophobicContact CE-CZ 4.12Å; M183-F196 HydrophobicContact CG-CD2 4.29Å; M183-F196 PolarHBondContact N-O 3.42Å; M183-F196 VanDerWaalsContact N-O 3.1Å; M183-F196 PolarHBondContact O-N 3.45Å; I185-F196 HydrophobicContact CD1-CE2 3.92Å; I185-F196 HydrophobicContact CD1-CZ 4.5Å; I185-F196 HydrophobicContact CG1-CE2 4.24Å; I194-F196 HydrophobicContact CB-CE2 4.26Å; I194-F196 HydrophobicContact CG2-CD2 4.34Å; I194-F196 HydrophobicContact CG2-CE2 3.57Å; I194-F196 HydrophobicContact CG2-CZ 3.77Å; F196-F200 HydrophobicContact CB-CB 4.35Å; F196-F200 HydrophobicContact CB-CD1 3.81Å; F196-F200 HydrophobicContact CB-CE1 4.37Å; F196-F200 HydrophobicContact CB-CG 4.16Å; F196-F200 HydrophobicContact CD1-CD1 4.03Å; F196-F200 HydrophobicContact CD1-CD2 4.11Å; F196-F200 HydrophobicContact CD1-CE1 4.08Å; F196-F200 HydrophobicContact CD1-CE2 4.15Å; F196-F200 HydrophobicContact CD1-CG 4.05Å; F196-F200 HydrophobicContact CD1-CZ 4.13Å; F196-F200 HydrophobicContact CG-CD1 4.26Å; F196-F200 HydrophobicContact CG-CE1 4.42Å; F196-A282 HydrophobicContact CD1-CB 3.51Å; F196-A282 HydrophobicContact CE1-CB 3.43Å; F196-A282 VanDerWaalsContact CE1-CB 3.43Å; F196-A282 HydrophobicContact CE2-CB 4.5Å; F196-A282 HydrophobicContact CG-CB 4.11Å; F196-A282 HydrophobicContact CZ-CB 3.96Å; F196-L312 HydrophobicContact CE1-CD1 4.46Å; F196-L312 HydrophobicContact CZ-CD1 4.29Å
197	P	90.7	Very high	90.8	Very high	46 Å²	46	48.1 Å²	48.1	30%	0.299	25%	0.246	S	C	.	.			trans	-75.7	165.7	-175.3	31.7	-36	0	0	0	111.6	A199 F200	P197-A199 PolarHBondContact O-N 3.06Å; P197-F200 VanDerWaalsContact O-CB 3.29Å; P197-F200 WeakPolarHBondContact O-CB 3.44Å; P197-F200 PolarHBondContact O-N 3.08Å
198	K	90.7	Very high	91.2	Very high	95 Å²	95	49.4 Å²	49.4	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-50.2	-26.2	173.3	72.6	-166.8	174.5	-161.3	0	115.4	S181 F200 R202	S181-K198 WeakPolarHBondContact O-CA 3.45Å; S181-K198 WeakPolarHBondContact O-CB 3.38Å; S181-K198 PolarHBondContact O-N 2.88Å; K198-F200 VanDerWaalsContact C-N 3.35Å; K198-R202 VanDerWaalsContact O-CG 3.29Å; K198-R202 WeakPolarHBondContact O-CG 3.45Å; K198-R202 PolarHBondContact O-N 3.32Å
199	A	92.2	Very high	91.7	Very high	51 Å²	51	47.9 Å²	47.9	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-38.4	177.3	0	0	0	0	0	111.5	P197 R202 T203	P197-A199 PolarHBondContact O-N 3.06Å; A199-R202 PolarHBondContact O-N 3.37Å; A199-T203 PolarHBondContact O-N 2.87Å
200	F	94.2	Very high	92.1	Very high	35 Å²	35	40.4 Å²	40.4	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-51.5	175.5	166.5	-101.3	0	0	0	111.1	L180 M183 F196 P197 K198 R202 T203 L204	L180-F200 HydrophobicContact CD2-CD1 4.22Å; L180-F200 HydrophobicContact CD2-CE1 4.49Å; M183-F200 HydrophobicContact CE-CE1 3.9Å; M183-F200 HydrophobicContact CE-CZ 4.42Å; F196-F200 HydrophobicContact CB-CB 4.35Å; F196-F200 HydrophobicContact CB-CD1 3.81Å; F196-F200 HydrophobicContact CB-CE1 4.37Å; F196-F200 HydrophobicContact CB-CG 4.16Å; F196-F200 HydrophobicContact CD1-CD1 4.03Å; F196-F200 HydrophobicContact CD1-CD2 4.11Å; F196-F200 HydrophobicContact CD1-CE1 4.08Å; F196-F200 HydrophobicContact CD1-CE2 4.15Å; F196-F200 HydrophobicContact CD1-CG 4.05Å; F196-F200 HydrophobicContact CD1-CZ 4.13Å; F196-F200 HydrophobicContact CG-CD1 4.26Å; F196-F200 HydrophobicContact CG-CE1 4.42Å; P197-F200 VanDerWaalsContact O-CB 3.29Å; P197-F200 WeakPolarHBondContact O-CB 3.44Å; P197-F200 PolarHBondContact O-N 3.08Å; K198-F200 VanDerWaalsContact C-N 3.35Å; F200-R202 PolarHBondContact O-N 3.47Å; F200-T203 PolarHBondContact O-N 3.37Å; F200-T203 PolarHBondContact O-OG1 3.23Å; F200-L204 HydrophobicContact CD1-CD1 4.49Å; F200-L204 HydrophobicContact CE1-CD1 3.98Å; F200-L204 HydrophobicContact CE1-CD2 4.35Å; F200-L204 HydrophobicContact CE2-CD2 4.09Å; F200-L204 HydrophobicContact CZ-CD1 4.32Å; F200-L204 HydrophobicContact CZ-CD2 3.95Å
201	G	94.1	Very high	92.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-22.3	-178.9	0	0	0	0	0	114.4	Y170 L180 T203	Y170-G201 WeakPolarHBondContact CE2-O 3.36Å; L180-G201 VanDerWaalsContact O-CA 3.29Å; L180-G201 WeakPolarHBondContact O-CA 3.35Å; G201-T203 VanDerWaalsContact C-N 3.31Å
202	R	94.2	Very high	92.9	Very high	97 Å²	97	34.9 Å²	34.9	37%	0.366	18%	0.183	S	C	.	.	H	α-helix	trans	-76.1	-15.7	175.1	-71.2	173.6	-175.3	179.1	-0.1	113.8	K169 Y170 V179 K198 A199 F200	K169-R202 WeakPolarHBondContact O-CB 3.42Å; K169-R202 WeakPolarHBondContact O-CD 3.34Å; K169-R202 VanDerWaalsContact O-CG 3.26Å; K169-R202 WeakPolarHBondContact O-CG 3.37Å; Y170-R202 VanDerWaalsContact CD2-O 3.3Å; Y170-R202 WeakPolarHBondContact CD2-O 3.3Å; V179-R202 HydrophobicContact CG1-CG 4.37Å; K198-R202 VanDerWaalsContact O-CG 3.29Å; K198-R202 WeakPolarHBondContact O-CG 3.45Å; K198-R202 PolarHBondContact O-N 3.32Å; A199-R202 PolarHBondContact O-N 3.37Å; F200-R202 PolarHBondContact O-N 3.47Å
203	T	94.7	Very high	93.3	Very high	86 Å²	86	34 Å²	34	53%	0.528	18%	0.177	S	C	.	.	H	α-helix	trans	-89.8	-12.3	175.8	62.4	0	0	0	0	112.9	A199 F200 G201 Q208	A199-T203 PolarHBondContact O-N 2.87Å; F200-T203 PolarHBondContact O-N 3.37Å; F200-T203 PolarHBondContact O-OG1 3.23Å; G201-T203 VanDerWaalsContact C-N 3.31Å; T203-Q208 PolarHBondContact O-OE1 2.84Å
204	L	95.8	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.			trans	-74.4	126.1	-172.8	-55.5	-176.7	0	0	0	112.1	Y170 L180 F200 Q208 V209 I212	Y170-L204 WeakPolarHBondContact CE2-O 3.09Å; Y170-L204 VanDerWaalsContact CZ-O 3.28Å; Y170-L204 PolarHBondContact OH-O 2.93Å; L180-L204 HydrophobicContact CD1-CD1 4.16Å; F200-L204 HydrophobicContact CD1-CD1 4.49Å; F200-L204 HydrophobicContact CE1-CD1 3.98Å; F200-L204 HydrophobicContact CE1-CD2 4.35Å; F200-L204 HydrophobicContact CE2-CD2 4.09Å; F200-L204 HydrophobicContact CZ-CD1 4.32Å; F200-L204 HydrophobicContact CZ-CD2 3.95Å; L204-Q208 HydrophobicContact CB-CB 4.19Å; L204-Q208 HydrophobicContact CD2-CB 4.16Å; L204-V209 HydrophobicContact CB-CG2 3.73Å; L204-V209 HydrophobicContact CD1-CG2 4.17Å; L204-I212 HydrophobicContact CD2-CD1 3.38Å; L204-I212 HydrophobicContact CD2-CG1 3.66Å
205	T	96.1	Very high	93.5	Very high	39 Å²	39	34.4 Å²	34.4	24%	0.239	18%	0.178	C	C	.	.			trans	-70.2	165.6	161.2	77.2	0	0	0	0	111.1	E207 Q208 V209	T205-E207 PolarHBondContact O-N 2.83Å; T205-E207 PolarHBondContact OG1-OE2 3.02Å; T205-E207 VanDerWaalsContact OG1-OE2 3.04Å; T205-Q208 PolarHBondContact O-N 2.87Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.26Å; T205-Q208 PolarHBondContact OG1-N 3.33Å; T205-V209 WeakPolarHBondContact O-CG2 3.3Å; T205-V209 PolarHBondContact O-N 2.78Å
206	P	94.3	Very high	93.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-52.6	-37.4	176	-28.1	37	0	0	0	114.2	W172 K175 L176 F325	W172-P206 HydrophobicContact CB-CG 4.33Å; W172-P206 HydrophobicContact CD2-CG 3.9Å; W172-P206 HydrophobicContact CE3-CG 3.79Å; W172-P206 HydrophobicContact CG-CG 4.14Å; W172-P206 HydrophobicContact CZ3-CG 4.38Å; K175-P206 HydrophobicContact CD-CG 3.95Å; L176-P206 HydrophobicContact CD1-CG 4.38Å; L176-P206 HydrophobicContact CD2-CB 3.91Å; L176-P206 HydrophobicContact CD2-CG 4.32Å; L176-P206 HydrophobicContact CG-CB 4.43Å; L176-P206 HydrophobicContact CG-CG 4.32Å; P206-F325 HydrophobicContact CB-CD2 4.07Å; P206-F325 HydrophobicContact CB-CE2 3.43Å; P206-F325 VanDerWaalsContact CB-CE2 3.43Å; P206-F325 HydrophobicContact CB-CZ 4.04Å
207	E	91.4	Very high	93.6	Very high	68 Å²	68	33.3 Å²	33.3	32%	0.318	18%	0.175	S	C	.	.	H	α-helix	trans	-73.7	-37.7	178.2	-58	68.8	-146.2	0	0	111.1	T205 Y210 S211	T205-E207 PolarHBondContact O-N 2.83Å; T205-E207 PolarHBondContact OG1-OE2 3.02Å; T205-E207 VanDerWaalsContact OG1-OE2 3.04Å; E207-Y210 WeakPolarHBondContact O-CB 3.38Å; E207-Y210 PolarHBondContact O-N 3.33Å; E207-S211 PolarHBondContact O-N 3.3Å; E207-S211 VanDerWaalsContact O-N 3.1Å; E207-S211 PolarHBondContact O-OG 2.94Å
208	Q	95.8	Very high	93.9	Very high	59 Å²	59	31.1 Å²	31.1	28%	0.276	16%	0.161	S	C	.	.	H	α-helix	trans	-70.3	-31.2	176.1	-75.4	176.9	-22.5	0	0	112.9	T203 L204 T205 Y210 S211 I212 G213	T203-Q208 PolarHBondContact O-OE1 2.84Å; L204-Q208 HydrophobicContact CB-CB 4.19Å; L204-Q208 HydrophobicContact CD2-CB 4.16Å; T205-Q208 PolarHBondContact O-N 2.87Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.26Å; T205-Q208 PolarHBondContact OG1-N 3.33Å; Q208-Y210 PolarHBondContact O-N 2.81Å; Q208-S211 PolarHBondContact O-N 2.95Å; Q208-I212 HydrophobicContact CB-CD1 3.84Å; Q208-I212 HydrophobicContact CB-CG1 3.73Å; Q208-I212 HydrophobicContact CG-CD1 3.98Å; Q208-I212 HydrophobicContact CG-CG1 4.22Å; Q208-I212 WeakPolarHBondContact O-CG1 3.48Å; Q208-I212 PolarHBondContact O-N 3.36Å; Q208-G213 PolarHBondContact O-N 3.39Å; Q208-G213 VanDerWaalsContact O-N 3.12Å
209	V	95.2	Very high	93.9	Very high	2 Å²	2	28 Å²	28	1%	0.012	16%	0.157	C	C	.	.	I	π-helix	trans	-55.3	-37.7	171.8	171.6	0	0	0	0	110.4	L176 F178 L204 T205 G213 I214 L406	L176-V209 HydrophobicContact CD1-CG2 3.98Å; F178-V209 HydrophobicContact CE2-CG1 3.87Å; F178-V209 HydrophobicContact CZ-CG1 4.13Å; L204-V209 HydrophobicContact CB-CG2 3.73Å; L204-V209 HydrophobicContact CD1-CG2 4.17Å; T205-V209 WeakPolarHBondContact O-CG2 3.3Å; T205-V209 PolarHBondContact O-N 2.78Å; V209-G213 CarbonylContact O-C 3.57Å; V209-G213 VanDerWaalsContact O-CA 3.31Å; V209-G213 WeakPolarHBondContact O-CA 3.45Å; V209-G213 PolarHBondContact O-N 3.01Å; V209-I214 PolarHBondContact O-N 3.21Å; V209-L406 HydrophobicContact CG1-CD2 3.76Å
210	Y	91.3	Very high	93.8	Very high	14 Å²	14	32.6 Å²	32.6	6%	0.055	18%	0.179	C	C	.	.	I	π-helix	trans	-70	-64.2	170.9	172	-105.1	0	0	0	112.1	E207 Q208 I214 K215 F323 L406 Y409 I410 E414	E207-Y210 WeakPolarHBondContact O-CB 3.38Å; E207-Y210 PolarHBondContact O-N 3.33Å; Q208-Y210 PolarHBondContact O-N 2.81Å; Y210-I214 PolarHBondContact O-N 3.05Å; Y210-K215 WeakPolarHBondContact O-CB 3.44Å; Y210-K215 PolarHBondContact O-N 2.93Å; Y210-F323 HydrophobicContact CD2-CE2 4.47Å; Y210-F323 HydrophobicContact CG-CE2 4.29Å; Y210-L406 HydrophobicContact CD2-CD1 3.75Å; Y210-L406 HydrophobicContact CG-CD1 4.2Å; Y210-Y409 HydrophobicContact CD1-CD1 4.42Å; Y210-Y409 AromaticContact CD1-CE1 3.89Å; Y210-Y409 HydrophobicContact CD1-CE1 3.89Å; Y210-Y409 AromaticContact CD2-CD1 3.55Å; Y210-Y409 HydrophobicContact CD2-CD1 3.55Å; Y210-Y409 AromaticContact CD2-CE1 3.87Å; Y210-Y409 HydrophobicContact CD2-CE1 3.87Å; Y210-Y409 HydrophobicContact CE1-CD1 4.26Å; Y210-Y409 AromaticContact CE1-CE1 3.64Å; Y210-Y409 HydrophobicContact CE1-CE1 3.64Å; Y210-Y409 AromaticContact CE2-CD1 3.29Å; Y210-Y409 HydrophobicContact CE2-CD1 3.29Å; Y210-Y409 AromaticContact CE2-CE1 3.57Å; Y210-Y409 HydrophobicContact CE2-CE1 3.57Å; Y210-Y409 HydrophobicContact CG-CD1 4.1Å; Y210-Y409 HydrophobicContact CG-CE1 4Å; Y210-Y409 AromaticContact CZ-CD1 3.69Å; Y210-Y409 AromaticContact CZ-CE1 3.46Å; Y210-Y409 VanDerWaalsContact CZ-CE1 3.46Å; Y210-I410 HydrophobicContact CD2-CD1 3.83Å; Y210-I410 HydrophobicContact CD2-CG1 4.24Å; Y210-I410 HydrophobicContact CE2-CD1 3.23Å; Y210-I410 HydrophobicContact CE2-CG1 3.79Å; Y210-E414 PolarHBondContact OH-OE1 3.38Å
211	S	91.3	Very high	93.6	Very high	24 Å²	24	33.9 Å²	33.9	17%	0.168	19%	0.188	C	C	.	.	I	π-helix	trans	-75	-32.9	-161.6	59.4	0	0	0	0	114.4	E207 Q208 P216	E207-S211 PolarHBondContact O-N 3.3Å; E207-S211 VanDerWaalsContact O-N 3.1Å; E207-S211 PolarHBondContact O-OG 2.94Å; Q208-S211 PolarHBondContact O-N 2.95Å; S211-P216 WeakPolarHBondContact O-CD 3.46Å
212	I	92.7	Very high	93.4	Very high	25 Å²	25	35.7 Å²	35.7	13%	0.128	20%	0.2	C	C	.	.	I	π-helix	trans	-115.7	-8.5	-179.3	62.8	169.3	0	0	0	113.3	L204 Q208 P287	L204-I212 HydrophobicContact CD2-CD1 3.38Å; L204-I212 HydrophobicContact CD2-CG1 3.66Å; Q208-I212 HydrophobicContact CB-CD1 3.84Å; Q208-I212 HydrophobicContact CB-CG1 3.73Å; Q208-I212 HydrophobicContact CG-CD1 3.98Å; Q208-I212 HydrophobicContact CG-CG1 4.22Å; Q208-I212 WeakPolarHBondContact O-CG1 3.48Å; Q208-I212 PolarHBondContact O-N 3.36Å; I212-P287 HydrophobicContact CD1-CG 4.24Å
213	G	94.7	Very high	93.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-98.6	-83.7	173.6	0	0	0	0	0	112.6	Q208 V209 P216 F217	Q208-G213 PolarHBondContact O-N 3.39Å; Q208-G213 VanDerWaalsContact O-N 3.12Å; V209-G213 CarbonylContact O-C 3.57Å; V209-G213 VanDerWaalsContact O-CA 3.31Å; V209-G213 WeakPolarHBondContact O-CA 3.45Å; V209-G213 PolarHBondContact O-N 3.01Å; G213-P216 WeakPolarHBondContact O-CD 3.46Å; G213-F217 WeakPolarHBondContact O-CB 3.32Å; G213-F217 PolarHBondContact O-N 2.85Å
214	I	94.5	Very high	93.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-65.4	-46.1	-171.9	-63.2	-56.5	0	0	0	112.9	F147 V209 Y210 F217 L218 L406 M407 I410	F147-I214 HydrophobicContact CE1-CD1 3.89Å; F147-I214 HydrophobicContact CE2-CD1 4.19Å; F147-I214 HydrophobicContact CZ-CD1 3.27Å; V209-I214 PolarHBondContact O-N 3.21Å; Y210-I214 PolarHBondContact O-N 3.05Å; I214-F217 WeakPolarHBondContact O-CB 3.46Å; I214-F217 PolarHBondContact O-N 3.45Å; I214-F217 VanDerWaalsContact O-N 3.15Å; I214-L218 HydrophobicContact CG2-CD1 3.81Å; I214-L218 HydrophobicContact CG2-CG 4.1Å; I214-L218 WeakPolarHBondContact O-CG 3.3Å; I214-L218 PolarHBondContact O-N 2.83Å; I214-L406 HydrophobicContact CB-CD2 4.39Å; I214-L406 HydrophobicContact CD1-CD2 4.33Å; I214-L406 HydrophobicContact CG1-CD2 3.4Å; I214-L406 VanDerWaalsContact CG1-CD2 3.4Å; I214-L406 HydrophobicContact CG1-CG 4.03Å; I214-M407 HydrophobicContact CD1-CE 4.42Å; I214-M407 HydrophobicContact CG2-CE 4.22Å; I214-M407 HydrophobicContact CG2-SD 4.2Å; I214-I410 HydrophobicContact CG2-CD1 4.1Å; I214-I410 HydrophobicContact CG2-CG1 4.04Å
215	K	92.9	Very high	93.2	Very high	33 Å²	33	32 Å²	32	14%	0.143	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-48.8	-176.5	175	170.5	-177.7	159.2	0	111.7	Y210 F217 L218 G219 L316 I410 E414	Y210-K215 WeakPolarHBondContact O-CB 3.44Å; Y210-K215 PolarHBondContact O-N 2.93Å; K215-F217 VanDerWaalsContact C-N 3.32Å; K215-F217 PolarHBondContact O-N 3.39Å; K215-L218 PolarHBondContact O-N 2.64Å; K215-G219 PolarHBondContact O-N 3.27Å; K215-L316 HydrophobicContact CD-CD1 4.49Å; K215-L316 HydrophobicContact CD-CD2 4.38Å; K215-I410 HydrophobicContact CB-CD1 4.06Å; K215-E414 WeakPolarHBondContact CE-OE1 3.35Å; K215-E414 VanDerWaalsContact NZ-CD 3.3Å; K215-E414 IonicContact NZ-OE1 3.49Å; K215-E414 PolarHBondContact NZ-OE1 3.05Å; K215-E414 IonicContact NZ-OE2 2.76Å; K215-E414 PolarHBondContact NZ-OE2 3.36Å; K215-E414 VanDerWaalsContact NZ-OE2 3.16Å
216	P	93.3	Very high	93.1	Very high	23 Å²	23	30.7 Å²	30.7	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-38.9	172.7	-28.9	38.4	0	0	0	114.2	I185 S211 G213 L218 G219 L312	I185-P216 HydrophobicContact CD1-CB 4.26Å; S211-P216 WeakPolarHBondContact O-CD 3.46Å; G213-P216 WeakPolarHBondContact O-CD 3.46Å; P216-L218 PolarHBondContact O-N 2.59Å; P216-G219 PolarHBondContact O-N 2.87Å; P216-G219 VanDerWaalsContact O-N 3.14Å; P216-L312 HydrophobicContact CB-CD1 4.33Å; P216-L312 HydrophobicContact CB-CD2 3.83Å; P216-L312 HydrophobicContact CG-CD1 4.45Å; P216-L312 HydrophobicContact CG-CD2 3.43Å; P216-L312 VanDerWaalsContact CG-CD2 3.43Å
217	F	96.4	Very high	93.2	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-45.4	176.8	167.6	-113.6	0	0	0	112.4	N143 C145 M183 G213 I214 K215 G219 Y232 L260 H262	N143-F217 HydrophobicContact CB-CD2 4.2Å; N143-F217 HydrophobicContact CB-CE2 3.85Å; C145-F217 HydrophobicContact CB-CD1 4.15Å; C145-F217 HydrophobicContact CB-CD2 3.74Å; C145-F217 HydrophobicContact CB-CE1 3.93Å; C145-F217 HydrophobicContact CB-CE2 3.51Å; C145-F217 HydrophobicContact CB-CG 4.05Å; C145-F217 HydrophobicContact CB-CZ 3.59Å; M183-F217 HydrophobicContact CG-CD2 4.29Å; M183-F217 HydrophobicContact SD-CB 3.76Å; M183-F217 HydrophobicContact SD-CG 4.46Å; G213-F217 WeakPolarHBondContact O-CB 3.32Å; G213-F217 PolarHBondContact O-N 2.85Å; I214-F217 WeakPolarHBondContact O-CB 3.46Å; I214-F217 PolarHBondContact O-N 3.45Å; I214-F217 VanDerWaalsContact O-N 3.15Å; K215-F217 VanDerWaalsContact C-N 3.32Å; K215-F217 PolarHBondContact O-N 3.39Å; F217-G219 PolarHBondContact O-N 2.73Å; F217-Y232 HydrophobicContact CE1-CE2 4.04Å; F217-L260 HydrophobicContact CE1-CB 3.9Å; F217-L260 HydrophobicContact CE1-CD1 4.11Å; F217-L260 HydrophobicContact CZ-CB 3.79Å; F217-H262 AromaticContact CD2-NE2 3.94Å; F217-H262 AromaticContact CE1-CD2 3.88Å; F217-H262 AromaticContact CE1-NE2 3.99Å; F217-H262 AromaticContact CE2-CD2 3.74Å; F217-H262 AromaticContact CE2-NE2 3.65Å; F217-H262 AromaticContact CZ-CD2 3.42Å; F217-H262 VanDerWaalsContact CZ-CD2 3.42Å; F217-H262 WeakPolarHBondContact CZ-CD2 3.09Å; F217-H262 AromaticContact CZ-NE2 3.7Å; F217-H262 PolarHBondContact O-CE1 3.5Å; F217-H262 PolarHBondContact O-NE2 2.86Å
218	L	95.6	Very high	93.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-71.4	-7.9	179.6	-61.6	179	0	0	0	113.9	I214 K215 P216 L228 A229 Y232 M407 I410	I214-L218 HydrophobicContact CG2-CD1 3.81Å; I214-L218 HydrophobicContact CG2-CG 4.1Å; I214-L218 WeakPolarHBondContact O-CG 3.3Å; I214-L218 PolarHBondContact O-N 2.83Å; K215-L218 PolarHBondContact O-N 2.64Å; P216-L218 PolarHBondContact O-N 2.59Å; L218-L228 HydrophobicContact CB-CD1 4.47Å; L218-L228 HydrophobicContact CD2-CB 3.99Å; L218-L228 HydrophobicContact CD2-CD1 4.18Å; L218-A229 HydrophobicContact CD1-CB 4.3Å; L218-Y232 HydrophobicContact CD2-CD2 4Å; L218-Y232 HydrophobicContact CD2-CE2 3.63Å; L218-M407 HydrophobicContact CD1-SD 4.36Å; L218-I410 HydrophobicContact CD1-CB 4.36Å; L218-I410 HydrophobicContact CD1-CD1 4.08Å; L218-I410 HydrophobicContact CD1-CG1 4Å; L218-I410 HydrophobicContact CD1-CG2 3.77Å
219	G	92.3	Very high	93.5	Very high	31 Å²	31	27.3 Å²	27.3	32%	0.32	16%	0.161	S	C	.	.			trans	90.2	174.6	179	0	0	0	0	0	113.9	K215 P216 F217	K215-G219 PolarHBondContact O-N 3.27Å; P216-G219 PolarHBondContact O-N 2.87Å; P216-G219 VanDerWaalsContact O-N 3.14Å; F217-G219 PolarHBondContact O-N 2.73Å
220	T	88.2	Confident	93.7	Very high	146 Å²	146	31.6 Å²	31.6	90%	0.896	18%	0.181	S	C	*	.	S	Bend	trans	-86.8	-12.7	-172.7	53.5	0	0	0	0	114.3	P222	T220-P222 VanDerWaalsContact O-CD 3.28Å; T220-P222 WeakPolarHBondContact O-CD 3.47Å
221	D	90.6	Very high	94	Very high	63 Å²	63	33.1 Å²	33.1	34%	0.337	19%	0.189	S	C	.	.			trans	-83	113.9	179.2	-176	100.3	0	0	0	110.2	T223 Y224 S225	D221-T223 VanDerWaalsContact C-N 3.32Å; D221-T223 PolarHBondContact O-N 3.01Å; D221-T223 WeakPolarHBondContact OD2-CA 3.4Å; D221-T223 WeakPolarHBondContact OD2-CB 3.38Å; D221-T223 PolarHBondContact OD2-N 3.27Å; D221-Y224 PolarHBondContact O-N 2.96Å; D221-Y224 WeakPolarHBondContact OD2-CB 3.29Å; D221-Y224 PolarHBondContact OD2-N 3.14Å; D221-S225 WeakPolarHBondContact O-CB 3.34Å; D221-S225 PolarHBondContact O-N 3.39Å; D221-S225 PolarHBondContact O-OG 2.95Å; D221-S225 VanDerWaalsContact O-OG 3.04Å
222	P	90.8	Very high	94.3	Very high	38 Å²	38	32 Å²	32	25%	0.247	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-36.4	-176.2	-25.7	37.8	0	0	0	112.8	T220 S225 V226 E414 I417 C418	T220-P222 VanDerWaalsContact O-CD 3.28Å; T220-P222 WeakPolarHBondContact O-CD 3.47Å; P222-S225 VanDerWaalsContact CA-OG 3.31Å; P222-S225 WeakPolarHBondContact CA-OG 3.37Å; P222-S225 PolarHBondContact O-OG 3.33Å; P222-V226 WeakPolarHBondContact O-CB 3.39Å; P222-V226 WeakPolarHBondContact O-CG2 3.31Å; P222-V226 PolarHBondContact O-N 2.76Å; P222-E414 HydrophobicContact CB-CB 4.48Å; P222-I417 HydrophobicContact CG-CG2 4.42Å; P222-C418 VanDerWaalsContact CB-SG 3.58Å
223	T	92	Very high	94.6	Very high	75 Å²	75	32.1 Å²	32.1	46%	0.46	18%	0.182	S	C	.	.	H	α-helix	trans	-68.6	-43.8	-179.3	-64.5	0	0	0	0	111.3	D221 K227	D221-T223 VanDerWaalsContact C-N 3.32Å; D221-T223 PolarHBondContact O-N 3.01Å; D221-T223 WeakPolarHBondContact OD2-CA 3.4Å; D221-T223 WeakPolarHBondContact OD2-CB 3.38Å; D221-T223 PolarHBondContact OD2-N 3.27Å; T223-K227 WeakPolarHBondContact O-CG 3.45Å; T223-K227 PolarHBondContact O-N 2.83Å; T223-K227 VanDerWaalsContact O-N 3.13Å
224	Y	93.1	Very high	94.7	Very high	24 Å²	24	37.4 Å²	37.4	9%	0.094	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-44.8	178.1	-170.3	-115.2	0	0	0	111.3	D221 V226 K227 L228 E263 L265 V356	D221-Y224 PolarHBondContact O-N 2.96Å; D221-Y224 WeakPolarHBondContact OD2-CB 3.29Å; D221-Y224 PolarHBondContact OD2-N 3.14Å; Y224-V226 VanDerWaalsContact C-N 3.32Å; Y224-V226 PolarHBondContact O-N 3.01Å; Y224-K227 PolarHBondContact O-N 3.35Å; Y224-K227 VanDerWaalsContact O-N 3.16Å; Y224-L228 HydrophobicContact CD1-CD1 3.68Å; Y224-L228 HydrophobicContact CD1-CG 4.2Å; Y224-L228 HydrophobicContact CE1-CD1 3.47Å; Y224-L228 VanDerWaalsContact CE1-CD1 3.47Å; Y224-L228 HydrophobicContact CE1-CD2 4.35Å; Y224-L228 HydrophobicContact CE1-CG 3.99Å; Y224-L228 WeakPolarHBondContact O-CG 3.48Å; Y224-L228 PolarHBondContact O-N 3.45Å; Y224-E263 PolarHBondContact OH-O 3.43Å; Y224-L265 HydrophobicContact CD1-CB 4.43Å; Y224-L265 HydrophobicContact CD2-CD1 4.04Å; Y224-L265 HydrophobicContact CE1-CB 4.42Å; Y224-L265 HydrophobicContact CE2-CD1 4.19Å; Y224-L265 HydrophobicContact CG-CD1 4.39Å; Y224-V356 HydrophobicContact CD2-CG1 4Å; Y224-V356 HydrophobicContact CE2-CB 4.36Å; Y224-V356 HydrophobicContact CE2-CG1 3.64Å
225	S	94.5	Very high	94.9	Very high	5 Å²	5	39.5 Å²	39.5	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-38.7	176.8	63.7	0	0	0	0	112.6	D221 P222 L228 A229	D221-S225 WeakPolarHBondContact O-CB 3.34Å; D221-S225 PolarHBondContact O-N 3.39Å; D221-S225 PolarHBondContact O-OG 2.95Å; D221-S225 VanDerWaalsContact O-OG 3.04Å; P222-S225 VanDerWaalsContact CA-OG 3.31Å; P222-S225 WeakPolarHBondContact CA-OG 3.37Å; P222-S225 PolarHBondContact O-OG 3.33Å; S225-L228 PolarHBondContact O-N 3.18Å; S225-A229 WeakPolarHBondContact O-CB 3.26Å; S225-A229 PolarHBondContact O-N 2.74Å
226	V	95.1	Very high	95.2	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-46.9	172.7	169.2	0	0	0	0	111.1	P222 Y224 L228 A229 Q230 V411 E414	P222-V226 WeakPolarHBondContact O-CB 3.39Å; P222-V226 WeakPolarHBondContact O-CG2 3.31Å; P222-V226 PolarHBondContact O-N 2.76Å; Y224-V226 VanDerWaalsContact C-N 3.32Å; Y224-V226 PolarHBondContact O-N 3.01Å; V226-L228 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 2.91Å; V226-A229 PolarHBondContact O-N 3.19Å; V226-Q230 HydrophobicContact CG1-CG 4.43Å; V226-Q230 WeakPolarHBondContact O-CB 3.46Å; V226-Q230 VanDerWaalsContact O-CG 3.31Å; V226-Q230 WeakPolarHBondContact O-CG 3.46Å; V226-Q230 PolarHBondContact O-N 3.02Å; V226-V411 HydrophobicContact CG1-CG1 4.36Å; V226-E414 HydrophobicContact CG2-CB 3.64Å
227	K	95.7	Very high	95.5	Very high	58 Å²	58	38.1 Å²	38.1	25%	0.252	22%	0.218	S	C	.	.	H	α-helix	trans	-61.6	-41.5	177.7	-71.8	174.7	175.6	-178.4	0	112.1	T223 Y224 N231 T354 V356	T223-K227 WeakPolarHBondContact O-CG 3.45Å; T223-K227 PolarHBondContact O-N 2.83Å; T223-K227 VanDerWaalsContact O-N 3.13Å; Y224-K227 PolarHBondContact O-N 3.35Å; Y224-K227 VanDerWaalsContact O-N 3.16Å; K227-N231 WeakPolarHBondContact O-CB 3.49Å; K227-N231 PolarHBondContact O-N 2.86Å; K227-T354 PolarHBondContact NZ-OG1 3.43Å; K227-V356 HydrophobicContact CB-CG1 3.57Å; K227-V356 HydrophobicContact CD-CG1 4.43Å
228	L	97.1	Very high	95.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-48.2	174.2	-74.4	175.3	0	0	0	111.4	L218 Y224 S225 V226 Q230 N231 Y232 H262 V356 A358	L218-L228 HydrophobicContact CB-CD1 4.47Å; L218-L228 HydrophobicContact CD2-CB 3.99Å; L218-L228 HydrophobicContact CD2-CD1 4.18Å; Y224-L228 HydrophobicContact CD1-CD1 3.68Å; Y224-L228 HydrophobicContact CD1-CG 4.2Å; Y224-L228 HydrophobicContact CE1-CD1 3.47Å; Y224-L228 VanDerWaalsContact CE1-CD1 3.47Å; Y224-L228 HydrophobicContact CE1-CD2 4.35Å; Y224-L228 HydrophobicContact CE1-CG 3.99Å; Y224-L228 WeakPolarHBondContact O-CG 3.48Å; Y224-L228 PolarHBondContact O-N 3.45Å; S225-L228 PolarHBondContact O-N 3.18Å; V226-L228 VanDerWaalsContact C-N 3.34Å; V226-L228 PolarHBondContact O-N 2.91Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-Q230 PolarHBondContact O-N 3.45Å; L228-N231 WeakPolarHBondContact O-CB 3.27Å; L228-N231 PolarHBondContact O-N 3.33Å; L228-N231 VanDerWaalsContact O-N 3.16Å; L228-Y232 HydrophobicContact CB-CE2 4.38Å; L228-Y232 VanDerWaalsContact O-CD2 3.27Å; L228-Y232 WeakPolarHBondContact O-CD2 3.3Å; L228-Y232 PolarHBondContact O-N 2.84Å; L228-H262 HydrophobicContact CD1-CB 4.48Å; L228-H262 WeakPolarHBondContact CD1-ND1 3.45Å; L228-H262 HydrophobicContact CD2-CB 3.58Å; L228-V356 HydrophobicContact CD2-CB 3.85Å; L228-V356 HydrophobicContact CD2-CG1 4.13Å; L228-V356 HydrophobicContact CD2-CG2 4.28Å; L228-V356 HydrophobicContact CG-CG1 4.31Å; L228-A358 HydrophobicContact CD2-CB 3.88Å
229	A	97.2	Very high	95.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-43.2	178.9	0	0	0	0	0	111.7	L218 S225 V226 N231 Y232 I233 M407 I410 V411	L218-A229 HydrophobicContact CD1-CB 4.3Å; S225-A229 WeakPolarHBondContact O-CB 3.26Å; S225-A229 PolarHBondContact O-N 2.74Å; V226-A229 PolarHBondContact O-N 3.19Å; A229-N231 PolarHBondContact O-N 2.84Å; A229-Y232 PolarHBondContact O-N 2.78Å; A229-I233 WeakPolarHBondContact O-CD1 3.25Å; A229-I233 VanDerWaalsContact O-CG1 3.23Å; A229-I233 WeakPolarHBondContact O-CG1 3.47Å; A229-I233 PolarHBondContact O-N 3.23Å; A229-M407 HydrophobicContact CB-CB 4.4Å; A229-M407 HydrophobicContact CB-SD 4.31Å; A229-I410 HydrophobicContact CB-CB 4.03Å; A229-I410 HydrophobicContact CB-CG2 3.71Å; A229-V411 HydrophobicContact CB-CG2 3.7Å
230	Q	97.5	Very high	96	Very high	92 Å²	92	44.7 Å²	44.7	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-45	173.2	-73.5	173.2	-16.4	0	0	112	V226 L228 I233 I234 V411	V226-Q230 HydrophobicContact CG1-CG 4.43Å; V226-Q230 WeakPolarHBondContact O-CB 3.46Å; V226-Q230 VanDerWaalsContact O-CG 3.31Å; V226-Q230 WeakPolarHBondContact O-CG 3.46Å; V226-Q230 PolarHBondContact O-N 3.02Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-Q230 PolarHBondContact O-N 3.45Å; Q230-I233 PolarHBondContact O-N 3.43Å; Q230-I234 WeakPolarHBondContact O-CG1 3.39Å; Q230-I234 PolarHBondContact O-N 2.86Å; Q230-V411 HydrophobicContact CG-CG1 4.37Å; Q230-V411 HydrophobicContact CG-CG2 3.8Å
231	N	97.9	Very high	96.5	Very high	45 Å²	45	42.5 Å²	42.5	24%	0.241	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-44	177.5	-173.2	-72.3	0	0	0	111.8	K227 L228 A229 I233 I234 Q235 V356	K227-N231 WeakPolarHBondContact O-CB 3.49Å; K227-N231 PolarHBondContact O-N 2.86Å; L228-N231 WeakPolarHBondContact O-CB 3.27Å; L228-N231 PolarHBondContact O-N 3.33Å; L228-N231 VanDerWaalsContact O-N 3.16Å; A229-N231 PolarHBondContact O-N 2.84Å; N231-I233 PolarHBondContact O-N 2.99Å; N231-I234 PolarHBondContact O-N 3.47Å; N231-Q235 PolarHBondContact O-N 3.46Å; N231-Q235 VanDerWaalsContact O-N 3.08Å; N231-Q235 PolarHBondContact OD1-NE2 2.71Å; N231-V356 HydrophobicContact CB-CG2 3.68Å
232	Y	98.4	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-39.2	175.7	-73.5	-45.2	0	0	0	113.1	F217 L218 L228 A229 I234 Q235 L236 L260 I261 H262 A358 V360 M407	F217-Y232 HydrophobicContact CE1-CE2 4.04Å; L218-Y232 HydrophobicContact CD2-CD2 4Å; L218-Y232 HydrophobicContact CD2-CE2 3.63Å; L228-Y232 HydrophobicContact CB-CE2 4.38Å; L228-Y232 VanDerWaalsContact O-CD2 3.27Å; L228-Y232 WeakPolarHBondContact O-CD2 3.3Å; L228-Y232 PolarHBondContact O-N 2.84Å; A229-Y232 PolarHBondContact O-N 2.78Å; Y232-I234 VanDerWaalsContact C-N 3.28Å; Y232-I234 PolarHBondContact O-N 3.27Å; Y232-Q235 PolarHBondContact O-N 2.82Å; Y232-L236 WeakPolarHBondContact O-CB 3.32Å; Y232-L236 WeakPolarHBondContact O-CD1 3.46Å; Y232-L236 WeakPolarHBondContact O-CG 3.4Å; Y232-L236 PolarHBondContact O-N 2.79Å; Y232-L260 HydrophobicContact CD1-CD2 3.97Å; Y232-L260 HydrophobicContact CD2-CD1 4.46Å; Y232-L260 HydrophobicContact CE1-CB 3.88Å; Y232-L260 HydrophobicContact CE1-CD2 4.03Å; Y232-L260 HydrophobicContact CE1-CG 4.36Å; Y232-L260 HydrophobicContact CE2-CD1 4.43Å; Y232-I261 PolarHBondContact OH-N 2.92Å; Y232-I261 PolarHBondContact OH-O 2.95Å; Y232-I261 VanDerWaalsContact OH-O 3.11Å; Y232-H262 WeakPolarHBondContact OH-CB 3.49Å; Y232-H262 PolarHBondContact OH-CD2 2.91Å; Y232-A358 HydrophobicContact CE1-CB 4.11Å; Y232-V360 HydrophobicContact CD1-CG2 3.43Å; Y232-V360 VanDerWaalsContact CD1-CG2 3.43Å; Y232-V360 HydrophobicContact CE1-CG2 3.81Å; Y232-M407 HydrophobicContact CD2-CE 3.93Å; Y232-M407 HydrophobicContact CD2-SD 4.19Å; Y232-M407 HydrophobicContact CG-CE 4.34Å
233	I	98.4	Very high	97.1	Very high	28 Å²	28	38.1 Å²	38.1	14%	0.144	19%	0.192	C	C	.	.	H	α-helix	trans	-55.5	-46.3	174.3	-72.4	158.3	0	0	0	110.4	A229 Q230 N231 G237 M407 V411	A229-I233 WeakPolarHBondContact O-CD1 3.25Å; A229-I233 VanDerWaalsContact O-CG1 3.23Å; A229-I233 WeakPolarHBondContact O-CG1 3.47Å; A229-I233 PolarHBondContact O-N 3.23Å; Q230-I233 PolarHBondContact O-N 3.43Å; N231-I233 PolarHBondContact O-N 2.99Å; I233-G237 PolarHBondContact O-N 2.91Å; I233-M407 HydrophobicContact CD1-CB 4.03Å; I233-M407 HydrophobicContact CG1-CB 3.55Å; I233-V411 HydrophobicContact CD1-CG2 3.89Å
234	I	98.3	Very high	97.2	Very high	112 Å²	112	37.2 Å²	37.2	57%	0.574	19%	0.187	S	C	*	.	H	α-helix	trans	-63.6	-49.1	-179.8	-64.9	165.1	0	0	0	110.7	Q230 N231 Y232 G237 R238	Q230-I234 WeakPolarHBondContact O-CG1 3.39Å; Q230-I234 PolarHBondContact O-N 2.86Å; N231-I234 PolarHBondContact O-N 3.47Å; Y232-I234 VanDerWaalsContact C-N 3.28Å; Y232-I234 PolarHBondContact O-N 3.27Å; I234-G237 PolarHBondContact O-N 3.42Å; I234-R238 WeakPolarHBondContact O-CG 3.35Å; I234-R238 PolarHBondContact O-N 3.38Å
235	Q	98.6	Very high	97.3	Very high	43 Å²	43	40.3 Å²	40.3	20%	0.201	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-45.5	-177.8	-66.8	-166.2	69.2	0	0	112.7	N231 Y232 G237 R238 I239 A358 V360	N231-Q235 PolarHBondContact O-N 3.46Å; N231-Q235 VanDerWaalsContact O-N 3.08Å; N231-Q235 PolarHBondContact OD1-NE2 2.71Å; Y232-Q235 PolarHBondContact O-N 2.82Å; Q235-G237 VanDerWaalsContact C-N 3.29Å; Q235-G237 PolarHBondContact O-N 2.93Å; Q235-R238 WeakPolarHBondContact O-CB 3.45Å; Q235-R238 PolarHBondContact O-N 2.89Å; Q235-I239 PolarHBondContact O-N 3.06Å; Q235-A358 PolarHBondContact NE2-O 3.43Å; Q235-V360 HydrophobicContact CB-CB 3.96Å; Q235-V360 HydrophobicContact CB-CG2 3.63Å; Q235-V360 HydrophobicContact CG-CG2 4.38Å; Q235-V360 VanDerWaalsContact OE1-N 3.1Å
236	L	98.7	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-38.2	174.8	-69.2	168.4	0	0	0	111.3	Y232 R238 I239 L240 I258 L260 V360 L400 L403 I404 M407	Y232-L236 WeakPolarHBondContact O-CB 3.32Å; Y232-L236 WeakPolarHBondContact O-CD1 3.46Å; Y232-L236 WeakPolarHBondContact O-CG 3.4Å; Y232-L236 PolarHBondContact O-N 2.79Å; L236-R238 VanDerWaalsContact C-N 3.32Å; L236-R238 PolarHBondContact O-N 3.05Å; L236-I239 PolarHBondContact O-N 3.37Å; L236-L240 WeakPolarHBondContact O-CB 3.31Å; L236-L240 PolarHBondContact O-N 3.25Å; L236-I258 HydrophobicContact CD2-CD1 4.18Å; L236-I258 HydrophobicContact CD2-CG2 3.84Å; L236-L260 HydrophobicContact CD2-CD2 4.29Å; L236-V360 HydrophobicContact CD2-CG1 3.84Å; L236-V360 HydrophobicContact CG-CG1 4.47Å; L236-L400 HydrophobicContact CB-CD1 4.04Å; L236-L400 HydrophobicContact CD2-CD1 3.71Å; L236-L400 HydrophobicContact CG-CD1 4.44Å; L236-L403 HydrophobicContact CD1-CD2 4.07Å; L236-L403 HydrophobicContact CD1-CG 3.93Å; L236-L403 HydrophobicContact CD2-CD2 3.95Å; L236-I404 HydrophobicContact CB-CD1 3.95Å; L236-I404 HydrophobicContact CB-CG1 3.53Å; L236-I404 HydrophobicContact CD1-CG1 4.13Å; L236-I404 HydrophobicContact CG-CG1 4.45Å; L236-M407 HydrophobicContact CD1-CG 4.35Å
237	G	98.5	Very high	97.2	Very high	27 Å²	27	43.2 Å²	43.2	28%	0.278	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-38.6	174.2	0	0	0	0	0	112.7	I233 I234 Q235 L240 N241	I233-G237 PolarHBondContact O-N 2.91Å; I234-G237 PolarHBondContact O-N 3.42Å; Q235-G237 VanDerWaalsContact C-N 3.29Å; Q235-G237 PolarHBondContact O-N 2.93Å; G237-L240 PolarHBondContact O-N 2.9Å; G237-N241 WeakPolarHBondContact O-CB 3.38Å; G237-N241 PolarHBondContact O-N 2.89Å
238	R	98.5	Very high	97.1	Very high	137 Å²	137	41.4 Å²	41.4	52%	0.517	21%	0.207	S	C	.	.	H	α-helix	trans	-64.2	-42.5	174	-69.5	170.9	65.3	174.1	-0.1	112.1	F112 I234 Q235 L236 N241 W242	F112-R238 HydrophobicContact CE1-CB 3.83Å; F112-R238 HydrophobicContact CZ-CB 4.02Å; I234-R238 WeakPolarHBondContact O-CG 3.35Å; I234-R238 PolarHBondContact O-N 3.38Å; Q235-R238 WeakPolarHBondContact O-CB 3.45Å; Q235-R238 PolarHBondContact O-N 2.89Å; L236-R238 VanDerWaalsContact C-N 3.32Å; L236-R238 PolarHBondContact O-N 3.05Å; R238-N241 PolarHBondContact O-N 3.35Å; R238-W242 WeakPolarHBondContact O-CB 3.23Å; R238-W242 PolarHBondContact O-N 3.44Å
239	I	98.5	Very high	96.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-43.7	174.7	-64.7	171.2	0	0	0	110.3	F112 Q235 L236 N241 W242 Y243 V360 L362 L400	F112-I239 HydrophobicContact CB-CG1 4.18Å; F112-I239 HydrophobicContact CD1-CD1 4.27Å; F112-I239 HydrophobicContact CD1-CG1 3.47Å; F112-I239 VanDerWaalsContact CD1-CG1 3.47Å; F112-I239 HydrophobicContact CD2-CG1 4.41Å; F112-I239 HydrophobicContact CE1-CG1 3.87Å; F112-I239 HydrophobicContact CG-CG1 3.78Å; F112-I239 HydrophobicContact CZ-CG1 4.5Å; Q235-I239 PolarHBondContact O-N 3.06Å; L236-I239 PolarHBondContact O-N 3.37Å; I239-N241 PolarHBondContact O-N 3.29Å; I239-W242 PolarHBondContact O-N 2.99Å; I239-Y243 VanDerWaalsContact O-CB 3.31Å; I239-Y243 WeakPolarHBondContact O-CB 3.38Å; I239-Y243 PolarHBondContact O-N 2.96Å; I239-V360 HydrophobicContact CD1-CB 4.41Å; I239-V360 HydrophobicContact CD1-CG1 3.61Å; I239-L362 HydrophobicContact CD1-CG 4.46Å; I239-L362 HydrophobicContact CG2-CD1 3.89Å; I239-L362 HydrophobicContact CG2-CD2 4.41Å; I239-L362 HydrophobicContact CG2-CG 4.24Å; I239-L400 HydrophobicContact CB-CD2 4.38Å; I239-L400 HydrophobicContact CG2-CD2 3.87Å
240	L	98.2	Very high	96.4	Very high	33 Å²	33	49.8 Å²	49.8	17%	0.173	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-46.3	179.2	178.7	61.2	0	0	0	111	L236 G237 Y243 V244 R397 L400 E401 I404	L236-L240 WeakPolarHBondContact O-CB 3.31Å; L236-L240 PolarHBondContact O-N 3.25Å; G237-L240 PolarHBondContact O-N 2.9Å; L240-Y243 PolarHBondContact O-N 2.9Å; L240-V244 HydrophobicContact CD1-CG2 3.99Å; L240-V244 HydrophobicContact CG-CG2 4.46Å; L240-V244 WeakPolarHBondContact O-CB 3.39Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 2.86Å; L240-R397 HydrophobicContact CD1-CG 4.04Å; L240-L400 VanDerWaalsContact CA-CD2 3.45Å; L240-L400 HydrophobicContact CB-CD2 3.64Å; L240-L400 HydrophobicContact CB-CG 4.01Å; L240-L400 HydrophobicContact CD1-CD2 3.93Å; L240-L400 HydrophobicContact CD1-CG 4.15Å; L240-L400 HydrophobicContact CG-CD2 4.38Å; L240-E401 HydrophobicContact CD1-CG 4.18Å; L240-E401 HydrophobicContact CD2-CG 4.02Å; L240-I404 HydrophobicContact CB-CD1 4.16Å; L240-I404 HydrophobicContact CD2-CD1 3.77Å
241	N	98	Very high	96.1	Very high	99 Å²	99	45.5 Å²	45.5	53%	0.529	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-47.7	177.8	-171.3	66.7	0	0	0	111.2	G237 R238 I239 Y243 V244 E245	G237-N241 WeakPolarHBondContact O-CB 3.38Å; G237-N241 PolarHBondContact O-N 2.89Å; R238-N241 PolarHBondContact O-N 3.35Å; I239-N241 PolarHBondContact O-N 3.29Å; N241-Y243 VanDerWaalsContact C-N 3.31Å; N241-Y243 PolarHBondContact O-N 2.71Å; N241-V244 PolarHBondContact O-N 2.79Å; N241-E245 VanDerWaalsContact O-CB 3.29Å; N241-E245 WeakPolarHBondContact O-CB 3.34Å; N241-E245 WeakPolarHBondContact O-CG 3.36Å; N241-E245 PolarHBondContact O-N 2.74Å
242	W	98	Very high	95.7	Very high	9 Å²	9	43.5 Å²	43.5	3%	0.034	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-45.3	174.1	164.4	79.3	0	0	0	112.1	A105 L109 F112 R238 I239 Y246 G247 L251 F253 L362	A105-W242 PolarHBondContact O-NE1 3.11Å; L109-W242 HydrophobicContact CB-CH2 4.36Å; L109-W242 HydrophobicContact CB-CZ2 3.63Å; L109-W242 HydrophobicContact CD1-CD2 4.38Å; L109-W242 HydrophobicContact CD1-CE3 4.22Å; L109-W242 HydrophobicContact CD1-CH2 3.5Å; L109-W242 VanDerWaalsContact CD1-CH2 3.5Å; L109-W242 HydrophobicContact CD1-CZ2 3.64Å; L109-W242 HydrophobicContact CD1-CZ3 3.78Å; L109-W242 HydrophobicContact CD2-CH2 3.81Å; L109-W242 HydrophobicContact CD2-CZ2 3.75Å; L109-W242 HydrophobicContact CG-CH2 4.08Å; L109-W242 HydrophobicContact CG-CZ2 3.86Å; F112-W242 HydrophobicContact CD2-CB 4.4Å; F112-W242 HydrophobicContact CD2-CD2 4.3Å; F112-W242 HydrophobicContact CD2-CG 4.19Å; F112-W242 HydrophobicContact CE2-CB 3.55Å; F112-W242 HydrophobicContact CE2-CD2 4.26Å; F112-W242 AromaticContact CE2-CG 3.69Å; F112-W242 HydrophobicContact CE2-CG 3.69Å; F112-W242 HydrophobicContact CZ-CB 4.19Å; R238-W242 WeakPolarHBondContact O-CB 3.23Å; R238-W242 PolarHBondContact O-N 3.44Å; I239-W242 PolarHBondContact O-N 2.99Å; W242-Y246 WeakPolarHBondContact O-CB 3.49Å; W242-Y246 PolarHBondContact O-N 3.5Å; W242-G247 PolarHBondContact O-N 3.14Å; W242-L251 HydrophobicContact CH2-CD1 4.19Å; W242-L251 HydrophobicContact CZ2-CD1 4.15Å; W242-F253 AromaticContact CH2-CE2 3.83Å; W242-F253 HydrophobicContact CH2-CE2 3.83Å; W242-F253 AromaticContact CH2-CZ 3.95Å; W242-F253 HydrophobicContact CH2-CZ 3.95Å; W242-F253 HydrophobicContact CZ3-CE2 4.08Å; W242-L362 HydrophobicContact CZ3-CD1 4.04Å
243	Y	96.7	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-66	-44.5	-177.6	-173.3	-104.9	0	0	0	111.2	I239 L240 N241 G247 A248 F253 T393 F396 R397	I239-Y243 VanDerWaalsContact O-CB 3.31Å; I239-Y243 WeakPolarHBondContact O-CB 3.38Å; I239-Y243 PolarHBondContact O-N 2.96Å; L240-Y243 PolarHBondContact O-N 2.9Å; N241-Y243 VanDerWaalsContact C-N 3.31Å; N241-Y243 PolarHBondContact O-N 2.71Å; Y243-G247 CarbonylContact O-C 3.58Å; Y243-G247 PolarHBondContact O-N 2.81Å; Y243-A248 HydrophobicContact CD1-CB 4.19Å; Y243-A248 HydrophobicContact CE1-CB 3.94Å; Y243-A248 WeakPolarHBondContact O-CB 3.47Å; Y243-A248 PolarHBondContact O-N 3.39Å; Y243-F253 HydrophobicContact CD2-CD2 4.47Å; Y243-F253 HydrophobicContact CD2-CE2 4.23Å; Y243-F253 AromaticContact CE2-CD2 3.9Å; Y243-F253 HydrophobicContact CE2-CD2 3.9Å; Y243-F253 HydrophobicContact CE2-CE2 4.02Å; Y243-T393 HydrophobicContact CE1-CG2 4.27Å; Y243-T393 WeakPolarHBondContact OH-CA 3.34Å; Y243-T393 WeakPolarHBondContact OH-CG2 3.35Å; Y243-T393 PolarHBondContact OH-O 3Å; Y243-T393 VanDerWaalsContact OH-O 3.09Å; Y243-F396 AromaticContact CD1-CD1 3.9Å; Y243-F396 HydrophobicContact CD1-CD1 3.9Å; Y243-F396 HydrophobicContact CD1-CE1 4.29Å; Y243-F396 AromaticContact CD2-CD1 3.98Å; Y243-F396 HydrophobicContact CD2-CD1 3.98Å; Y243-F396 AromaticContact CD2-CE1 3.91Å; Y243-F396 HydrophobicContact CD2-CE1 3.91Å; Y243-F396 HydrophobicContact CE1-CB 4.42Å; Y243-F396 AromaticContact CE1-CD1 3.63Å; Y243-F396 HydrophobicContact CE1-CD1 3.63Å; Y243-F396 HydrophobicContact CE1-CE1 4.41Å; Y243-F396 HydrophobicContact CE1-CG 4.44Å; Y243-F396 AromaticContact CE2-CD1 3.72Å; Y243-F396 HydrophobicContact CE2-CD1 3.72Å; Y243-F396 HydrophobicContact CE2-CE1 4.04Å; Y243-F396 HydrophobicContact CE2-CG 4.4Å; Y243-F396 HydrophobicContact CG-CD1 4.05Å; Y243-F396 HydrophobicContact CG-CE1 4.02Å; Y243-F396 AromaticContact CZ-CD1 3.51Å; Y243-R397 HydrophobicContact CD1-CB 4.28Å; Y243-R397 HydrophobicContact CE1-CB 4.01Å
244	V	94.8	Very high	95	Very high	56 Å²	56	42.5 Å²	42.5	34%	0.339	21%	0.209	S	C	.	.	I	π-helix	trans	-66.6	-45	178.4	171.3	0	0	0	0	111.5	L240 N241 R397	L240-V244 HydrophobicContact CD1-CG2 3.99Å; L240-V244 HydrophobicContact CG-CG2 4.46Å; L240-V244 WeakPolarHBondContact O-CB 3.39Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 2.86Å; N241-V244 PolarHBondContact O-N 2.79Å; V244-R397 HydrophobicContact CG2-CG 4.46Å
245	E	95.1	Very high	94.7	Very high	90 Å²	90	38.7 Å²	38.7	42%	0.421	19%	0.187	S	C	.	.	I	π-helix	trans	-76.1	-34.2	-174	-70.1	-61.3	165.4	0	0	113.5	N241 K249	N241-E245 VanDerWaalsContact O-CB 3.29Å; N241-E245 WeakPolarHBondContact O-CB 3.34Å; N241-E245 WeakPolarHBondContact O-CG 3.36Å; N241-E245 PolarHBondContact O-N 2.74Å; E245-K249 VanDerWaalsContact O-CE 3.26Å; E245-K249 WeakPolarHBondContact O-CE 3.31Å; E245-K249 PolarHBondContact O-NZ 3.46Å
246	Y	94.8	Very high	94.5	Very high	77 Å²	77	36.7 Å²	36.7	30%	0.302	18%	0.178	S	C	.	.	I	π-helix	trans	-129.7	-60.2	-172.6	-54.9	-86	0	0	0	111.9	W242 A248 K249	W242-Y246 WeakPolarHBondContact O-CB 3.49Å; W242-Y246 PolarHBondContact O-N 3.5Å; Y246-A248 PolarHBondContact O-N 2.92Å; Y246-K249 WeakPolarHBondContact O-CB 3.47Å; Y246-K249 PolarHBondContact O-N 2.89Å
247	G	93.4	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-56.8	-43.5	-167	0	0	0	0	0	114.3	W242 Y243 K249 E250 L251	W242-G247 PolarHBondContact O-N 3.14Å; Y243-G247 CarbonylContact O-C 3.58Å; Y243-G247 PolarHBondContact O-N 2.81Å; G247-K249 PolarHBondContact O-N 2.84Å; G247-E250 PolarHBondContact O-N 3.28Å; G247-L251 WeakPolarHBondContact O-CA 3.37Å; G247-L251 WeakPolarHBondContact O-CB 3.28Å; G247-L251 PolarHBondContact O-N 3.07Å
248	A	92.1	Very high	94.5	Very high	20 Å²	20	35.4 Å²	35.4	17%	0.165	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-16.8	-178.2	0	0	0	0	0	113.4	Y243 Y246 K371 T393	Y243-A248 HydrophobicContact CD1-CB 4.19Å; Y243-A248 HydrophobicContact CE1-CB 3.94Å; Y243-A248 WeakPolarHBondContact O-CB 3.47Å; Y243-A248 PolarHBondContact O-N 3.39Å; Y246-A248 PolarHBondContact O-N 2.92Å; A248-K371 PolarHBondContact O-NZ 3.09Å; A248-T393 HydrophobicContact CB-CG2 3.65Å
249	K	89.8	Confident	94.5	Very high	117 Å²	117	29.6 Å²	29.6	51%	0.509	14%	0.144	S	C	.	.	H	α-helix	trans	-82.2	-34.1	177.3	-63	171.6	-177.7	162.9	0	111.7	E245 Y246 G247 K371 Y373	E245-K249 VanDerWaalsContact O-CE 3.26Å; E245-K249 WeakPolarHBondContact O-CE 3.31Å; E245-K249 PolarHBondContact O-NZ 3.46Å; Y246-K249 WeakPolarHBondContact O-CB 3.47Å; Y246-K249 PolarHBondContact O-N 2.89Å; G247-K249 PolarHBondContact O-N 2.84Å; K249-K371 WeakPolarHBondContact O-CD 3.4Å; K249-Y373 WeakPolarHBondContact O-CE2 3.48Å
250	E	89.6	Confident	94.5	Very high	59 Å²	59	29.6 Å²	29.6	28%	0.276	14%	0.144	S	C	.	.	H	α-helix	trans	-113.5	-21.7	-169.8	-64.8	178.8	-150.1	0	0	113.6	S103 A105 G247 E370 K371	S103-E250 WeakPolarHBondContact CB-OE2 3.49Å; S103-E250 PolarHBondContact OG-OE2 2.72Å; A105-E250 HydrophobicContact CB-CB 4.47Å; A105-E250 HydrophobicContact CB-CG 4.39Å; A105-E250 WeakPolarHBondContact CB-OE2 3.2Å; G247-E250 PolarHBondContact O-N 3.28Å; E250-E370 CarbonylContact O-C 3.53Å; E250-E370 WeakPolarHBondContact O-CA 3.47Å; E250-K371 PolarHBondContact O-N 3.15Å
251	L	91	Very high	94.5	Very high	3 Å²	3	28 Å²	28	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146	-169.7	-59	171.4	0	0	0	111.9	L106 L109 W242 G247 F253 W368 K371	L106-L251 HydrophobicContact CD2-CD1 3.93Å; L106-L251 HydrophobicContact CD2-CD2 4.11Å; L109-L251 HydrophobicContact CD2-CD1 4.11Å; W242-L251 HydrophobicContact CH2-CD1 4.19Å; W242-L251 HydrophobicContact CZ2-CD1 4.15Å; G247-L251 WeakPolarHBondContact O-CA 3.37Å; G247-L251 WeakPolarHBondContact O-CB 3.28Å; G247-L251 PolarHBondContact O-N 3.07Å; L251-F253 HydrophobicContact CB-CZ 4.31Å; L251-F253 HydrophobicContact CD1-CE1 4.45Å; L251-F253 HydrophobicContact CD1-CZ 3.94Å; L251-W368 HydrophobicContact CD2-CE3 4.17Å; L251-W368 HydrophobicContact CD2-CZ3 4.2Å; L251-K371 WeakPolarHBondContact O-CE 3.34Å
252	T	90.9	Very high	94.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.9	164.4	-53.4	0	0	0	0	108.7	W368 S369 K371 L392	T252-W368 VanDerWaalsContact O-CA 3.32Å; T252-W368 WeakPolarHBondContact O-CA 3.29Å; T252-S369 WeakPolarHBondContact CB-OG 3.41Å; T252-S369 PolarHBondContact N-O 3.14Å; T252-S369 PolarHBondContact O-N 3.39Å; T252-K371 WeakPolarHBondContact OG1-CE 3.12Å; T252-L392 HydrophobicContact CG2-CB 3.47Å; T252-L392 VanDerWaalsContact CG2-CB 3.47Å; T252-L392 HydrophobicContact CG2-CD1 3.7Å; T252-L392 HydrophobicContact CG2-CG 4.21Å
253	F	91.3	Very high	94.3	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.022	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.3	171.4	-59.9	-53	0	0	0	110.5	F93 L109 W242 Y243 L251 F365 W368 F396	F93-F253 AromaticContact CE2-CE1 3.87Å; F93-F253 HydrophobicContact CE2-CE1 3.87Å; F93-F253 HydrophobicContact CZ-CE1 4.22Å; L109-F253 HydrophobicContact CD2-CZ 4.2Å; W242-F253 AromaticContact CH2-CE2 3.83Å; W242-F253 HydrophobicContact CH2-CE2 3.83Å; W242-F253 AromaticContact CH2-CZ 3.95Å; W242-F253 HydrophobicContact CH2-CZ 3.95Å; W242-F253 HydrophobicContact CZ3-CE2 4.08Å; Y243-F253 HydrophobicContact CD2-CD2 4.47Å; Y243-F253 HydrophobicContact CD2-CE2 4.23Å; Y243-F253 AromaticContact CE2-CD2 3.9Å; Y243-F253 HydrophobicContact CE2-CD2 3.9Å; Y243-F253 HydrophobicContact CE2-CE2 4.02Å; L251-F253 HydrophobicContact CB-CZ 4.31Å; L251-F253 HydrophobicContact CD1-CE1 4.45Å; L251-F253 HydrophobicContact CD1-CZ 3.94Å; F253-F365 HydrophobicContact CD1-CD1 4.2Å; F253-F365 AromaticContact CE1-CD1 3.94Å; F253-F365 HydrophobicContact CE1-CD1 3.94Å; F253-F365 HydrophobicContact CE1-CE1 4.1Å; F253-F365 HydrophobicContact CZ-CE1 4.45Å; F253-W368 HydrophobicContact CD1-CB 4.36Å; F253-F396 HydrophobicContact CB-CD2 4.08Å; F253-F396 HydrophobicContact CB-CE2 4.36Å; F253-F396 HydrophobicContact CD2-CD2 4.24Å; F253-F396 HydrophobicContact CD2-CE1 4.43Å; F253-F396 HydrophobicContact CD2-CE2 4.01Å; F253-F396 HydrophobicContact CD2-CZ 4.11Å
254	C	90.8	Very high	94.1	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.02	12%	0.12	C	C	.	.	S	Bend	trans	-131.8	129	170.3	-177.6	0	0	0	0	107.4	T153 F155 S256 H367 L392	T153-C254 VanDerWaalsContact C-SG 3.57Å; F155-C254 HydrophobicContact CD2-CB 4.37Å; F155-C254 HydrophobicContact CE1-CB 3.98Å; F155-C254 HydrophobicContact CE2-CB 3.66Å; F155-C254 HydrophobicContact CZ-CB 3.43Å; F155-C254 VanDerWaalsContact CZ-CB 3.43Å; C254-S256 PolarHBondContact O-N 3Å; C254-H367 HydrophobicContact CB-CB 4.18Å; C254-H367 WeakPolarHBondContact CB-O 3.33Å; C254-H367 PolarHBondContact N-O 3.21Å; C254-H367 WeakPolarHBondContact O-CB 3.5Å; C254-L392 HydrophobicContact CB-CD2 4.06Å
255	R	91.1	Very high	93.7	Very high	31 Å²	31	26 Å²	26	12%	0.117	12%	0.123	C	C	.	.	S	Bend	trans	65	0.5	179.8	-53.5	166.5	177.1	-153.4	-11.3	116.2	K148 T153 E166	K148-R255 HydrophobicContact CD-CB 4.22Å; K148-R255 WeakPolarHBondContact CG-O 3.21Å; K148-R255 PolarHBondContact NZ-O 2.64Å; T153-R255 HydrophobicContact CG2-CG 3.92Å; T153-R255 PolarHBondContact O-NE 3.33Å; T153-R255 PolarHBondContact O-NH2 3.17Å; E166-R255 IonicContact OE1-CZ 2.71Å; E166-R255 IonicContact OE1-NH2 2.79Å; E166-R255 PolarHBondContact OE1-NH2 3.32Å; E166-R255 IonicContact OE2-NH2 3.58Å
256	S	95.4	Very high	92.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	14%	0.136	C	C	.	.			trans	-61.8	152.3	169.7	-55.9	0	0	0	0	111.1	M149 C254 I363 D364	M149-S256 WeakPolarHBondContact CB-O 3.48Å; M149-S256 PolarHBondContact N-O 2.82Å; C254-S256 PolarHBondContact O-N 3Å; S256-I363 WeakPolarHBondContact CA-O 3.37Å; S256-I363 WeakPolarHBondContact CB-O 3.44Å; S256-D364 VanDerWaalsContact CA-O 3.26Å; S256-D364 WeakPolarHBondContact CA-O 3.33Å; S256-D364 WeakPolarHBondContact CB-O 3.26Å; S256-D364 PolarHBondContact OG-O 3.11Å
257	S	97.5	Very high	91	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.7	-175.2	-75.5	0	0	0	0	112.1	D146 F147 K148 L362 I363	D146-S257 WeakPolarHBondContact OD1-CB 3.5Å; D146-S257 PolarHBondContact OD1-OG 3.35Å; F147-S257 CarbonylContact O-C 3.49Å; F147-S257 WeakPolarHBondContact O-CA 3.2Å; F147-S257 WeakPolarHBondContact O-CB 3.16Å; K148-S257 WeakPolarHBondContact CA-OG 3.11Å; S257-L362 WeakPolarHBondContact O-CA 3.39Å; S257-I363 PolarHBondContact N-O 3.28Å; S257-I363 PolarHBondContact O-N 2.94Å
258	I	98.3	Very high	89.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.6	160.8	-69.8	175.1	0	0	0	107.4	F147 M149 L236 L260 V360 Y361 L362 L400 L403	F147-I258 PolarHBondContact N-O 3.5Å; F147-I258 PolarHBondContact O-N 3.16Å; M149-I258 HydrophobicContact CE-CD1 3.74Å; M149-I258 HydrophobicContact CG-CB 4.41Å; M149-I258 HydrophobicContact CG-CD1 4.05Å; M149-I258 HydrophobicContact CG-CG1 3.86Å; M149-I258 HydrophobicContact SD-CB 4.14Å; M149-I258 HydrophobicContact SD-CD1 3.83Å; M149-I258 HydrophobicContact SD-CG1 3.99Å; L236-I258 HydrophobicContact CD2-CD1 4.18Å; L236-I258 HydrophobicContact CD2-CG2 3.84Å; I258-L260 HydrophobicContact CG2-CD2 3.9Å; I258-V360 HydrophobicContact CG2-CG1 3.7Å; I258-Y361 CarbonylContact C-O 3.46Å; I258-Y361 WeakPolarHBondContact CA-O 3.26Å; I258-L362 HydrophobicContact CD1-CD2 4.26Å; I258-L362 HydrophobicContact CG1-CD2 3.49Å; I258-L362 VanDerWaalsContact CG1-CD2 3.49Å; I258-L400 HydrophobicContact CD1-CD1 3.65Å; I258-L403 HydrophobicContact CG2-CD2 4.28Å
259	L	98.4	Very high	87.2	Confident	16 Å²	16	36.3 Å²	36.3	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.8	176.8	-165.4	70.8	0	0	0	109	V55 L135 I144 D146 I261 V360 Y361 I363	V55-L259 HydrophobicContact CG2-CD1 4.34Å; L135-L259 HydrophobicContact CD1-CD2 3.99Å; I144-L259 HydrophobicContact CG2-CD1 3.45Å; I144-L259 VanDerWaalsContact CG2-CD1 3.45Å; I144-L259 HydrophobicContact CG2-CD2 4.34Å; I144-L259 HydrophobicContact CG2-CG 3.99Å; D146-L259 HydrophobicContact CB-CD1 3.94Å; L259-I261 HydrophobicContact CD2-CD1 3.83Å; L259-I261 HydrophobicContact CD2-CG1 4.05Å; L259-I261 HydrophobicContact CG-CD1 4.35Å; L259-I261 HydrophobicContact CG-CG1 4.07Å; L259-V360 WeakPolarHBondContact O-CA 3.08Å; L259-Y361 PolarHBondContact N-O 3.35Å; L259-Y361 PolarHBondContact O-N 2.99Å; L259-I363 HydrophobicContact CB-CD1 4.02Å; L259-I363 HydrophobicContact CB-CG1 4.41Å; L259-I363 HydrophobicContact CD1-CD1 4.12Å; L259-I363 HydrophobicContact CD2-CD1 4.24Å; L259-I363 HydrophobicContact CG-CD1 4.37Å
260	L	98.5	Very high	85	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131	170.2	-54.6	-171.1	0	0	0	108.8	I144 C145 F147 F217 Y232 L236 I258 V360 M407	I144-L260 CarbonylContact C-O 3.58Å; I144-L260 WeakPolarHBondContact CA-O 3.13Å; C145-L260 HydrophobicContact CB-CB 4.47Å; C145-L260 PolarHBondContact N-O 3.43Å; C145-L260 PolarHBondContact O-N 3.45Å; F147-L260 HydrophobicContact CD2-CD1 4.28Å; F147-L260 HydrophobicContact CD2-CG 4.17Å; F147-L260 HydrophobicContact CE2-CD1 3.67Å; F147-L260 HydrophobicContact CE2-CG 3.92Å; F217-L260 HydrophobicContact CE1-CB 3.9Å; F217-L260 HydrophobicContact CE1-CD1 4.11Å; F217-L260 HydrophobicContact CZ-CB 3.79Å; Y232-L260 HydrophobicContact CD1-CD2 3.97Å; Y232-L260 HydrophobicContact CD2-CD1 4.46Å; Y232-L260 HydrophobicContact CE1-CB 3.88Å; Y232-L260 HydrophobicContact CE1-CD2 4.03Å; Y232-L260 HydrophobicContact CE1-CG 4.36Å; Y232-L260 HydrophobicContact CE2-CD1 4.43Å; L236-L260 HydrophobicContact CD2-CD2 4.29Å; I258-L260 HydrophobicContact CG2-CD2 3.9Å; L260-V360 HydrophobicContact CD2-CB 4.29Å; L260-V360 HydrophobicContact CD2-CG1 3.82Å; L260-V360 HydrophobicContact CD2-CG2 3.64Å; L260-M407 HydrophobicContact CD1-CE 3.38Å
261	I	98.3	Very high	82.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.8	179	-51.9	163.2	0	0	0	108.2	L135 V136 F139 P142 N143 I144 Y232 L259 A358 Q359 Y361	L135-I261 HydrophobicContact CB-CD1 3.82Å; V136-I261 HydrophobicContact CG1-CD1 3.95Å; V136-I261 HydrophobicContact CG1-CG1 4.46Å; V136-I261 HydrophobicContact CG1-CG2 4.01Å; F139-I261 HydrophobicContact CD1-CG2 3.93Å; F139-I261 HydrophobicContact CD2-CG2 4.12Å; F139-I261 HydrophobicContact CE1-CB 4.48Å; F139-I261 HydrophobicContact CE1-CG2 3.64Å; F139-I261 HydrophobicContact CE2-CG2 3.81Å; F139-I261 HydrophobicContact CG-CG2 4.16Å; F139-I261 HydrophobicContact CZ-CB 4.15Å; F139-I261 HydrophobicContact CZ-CG2 3.56Å; P142-I261 HydrophobicContact CB-CG2 4.11Å; N143-I261 VanDerWaalsContact O-CA 3.31Å; N143-I261 WeakPolarHBondContact O-CA 3.19Å; I144-I261 HydrophobicContact CG1-CG2 4.41Å; I144-I261 HydrophobicContact CG2-CG1 4.5Å; Y232-I261 PolarHBondContact OH-N 2.92Å; Y232-I261 PolarHBondContact OH-O 2.95Å; Y232-I261 VanDerWaalsContact OH-O 3.11Å; L259-I261 HydrophobicContact CD2-CD1 3.83Å; L259-I261 HydrophobicContact CD2-CG1 4.05Å; L259-I261 HydrophobicContact CG-CD1 4.35Å; L259-I261 HydrophobicContact CG-CG1 4.07Å; I261-A358 CarbonylContact O-C 3.51Å; I261-A358 WeakPolarHBondContact O-CA 3.34Å; I261-Q359 PolarHBondContact N-O 3.17Å; I261-Q359 PolarHBondContact O-N 3.28Å; I261-Y361 HydrophobicContact CD1-CD2 4.27Å
262	H	97.7	Very high	80.9	Confident	3 Å²	3	46.6 Å²	46.6	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.6	166.3	66.9	96.5	0	0	0	112.9	N143 F217 L228 Y232 H357 A358	N143-H262 VanDerWaalsContact CB-NE2 3.34Å; N143-H262 WeakPolarHBondContact CB-NE2 3.47Å; N143-H262 PolarHBondContact N-O 3.16Å; N143-H262 PolarHBondContact ND2-CE1 3.24Å; N143-H262 VanDerWaalsContact ND2-CE1 3.26Å; N143-H262 PolarHBondContact ND2-O 2.98Å; N143-H262 PolarHBondContact O-N 3.12Å; F217-H262 AromaticContact CD2-NE2 3.94Å; F217-H262 AromaticContact CE1-CD2 3.88Å; F217-H262 AromaticContact CE1-NE2 3.99Å; F217-H262 AromaticContact CE2-CD2 3.74Å; F217-H262 AromaticContact CE2-NE2 3.65Å; F217-H262 AromaticContact CZ-CD2 3.42Å; F217-H262 VanDerWaalsContact CZ-CD2 3.42Å; F217-H262 WeakPolarHBondContact CZ-CD2 3.09Å; F217-H262 AromaticContact CZ-NE2 3.7Å; F217-H262 PolarHBondContact O-CE1 3.5Å; F217-H262 PolarHBondContact O-NE2 2.86Å; L228-H262 HydrophobicContact CD1-CB 4.48Å; L228-H262 WeakPolarHBondContact CD1-ND1 3.45Å; L228-H262 HydrophobicContact CD2-CB 3.58Å; Y232-H262 WeakPolarHBondContact OH-CB 3.49Å; Y232-H262 PolarHBondContact OH-CD2 2.91Å; H262-H357 WeakPolarHBondContact CA-O 3.28Å; H262-A358 HydrophobicContact CB-CB 3.84Å
263	E	95.4	Very high	78.9	Confident	31 Å²	31	53.9 Å²	53.9	15%	0.145	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	145.8	171.7	-171	52.2	-90.7	0	0	110.9	F139 K140 Q141 Y224 H357	F139-E263 HydrophobicContact CD1-CB 4.14Å; K140-E263 WeakPolarHBondContact CA-OE2 3.4Å; K140-E263 WeakPolarHBondContact CB-OE2 3.23Å; K140-E263 PolarHBondContact N-OE2 3.12Å; Q141-E263 VanDerWaalsContact CA-OE1 3.23Å; Q141-E263 WeakPolarHBondContact CA-OE1 3.48Å; Q141-E263 VanDerWaalsContact CB-OE1 3.27Å; Q141-E263 WeakPolarHBondContact CB-OE1 3.24Å; Q141-E263 PolarHBondContact N-OE1 2.95Å; Q141-E263 PolarHBondContact N-OE2 3.29Å; Q141-E263 VanDerWaalsContact N-OE2 3.16Å; Q141-E263 VanDerWaalsContact O-OE1 3.05Å; Y224-E263 PolarHBondContact OH-O 3.43Å; E263-H357 HydrophobicContact CB-CB 4.11Å; E263-H357 PolarHBondContact N-O 2.96Å
264	S	92.5	Very high	77.1	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.063	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-74.3	146.8	171.5	-58.4	0	0	0	0	110.3	Q141 N143 S186	Q141-S264 PolarHBondContact O-N 3.41Å; Q141-S264 PolarHBondContact O-OG 2.89Å; N143-S264 PolarHBondContact ND2-OG 3.28Å; S186-S264 VanDerWaalsContact CB-OG 3.31Å; S186-S264 WeakPolarHBondContact CB-OG 3.23Å
265	L	84.9	Confident	75.4	Confident	79 Å²	79	66.6 Å²	66.6	41%	0.414	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-63.1	130.3	172.8	-168	69.3	0	0	0	109	Y224 S267	Y224-L265 HydrophobicContact CD1-CB 4.43Å; Y224-L265 HydrophobicContact CD2-CD1 4.04Å; Y224-L265 HydrophobicContact CE1-CB 4.42Å; Y224-L265 HydrophobicContact CE2-CD1 4.19Å; Y224-L265 HydrophobicContact CG-CD1 4.39Å; L265-S267 PolarHBondContact O-N 2.84Å
266	P	71	Confident	73.8	Confident	106 Å²	106	66.5 Å²	66.5	69%	0.688	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-56.7	129	177.3	-23.7	32.9	0	0	0	110.3	T268	P266-T268 PolarHBondContact O-N 3.4Å
267	S	62.6	Low	71.8	Confident	47 Å²	47	70 Å²	70	33%	0.329	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-64	130.5	167.5	48.4	0	0	0	0	107.9	L265 T269	L265-S267 PolarHBondContact O-N 2.84Å; S267-T269 PolarHBondContact O-N 3.25Å
268	T	55.6	Low	70.2	Confident	150 Å²	150	77.6 Å²	77.6	92%	0.92	41%	0.412	S	S	*	.	S	Bend	trans	-64.1	7.1	179.3	43.8	0	0	0	0	113.7	P266	P266-T268 PolarHBondContact O-N 3.4Å
269	T	50	Low	68.6	Low	100 Å²	100	80.9 Å²	80.9	61%	0.613	44%	0.436	S	S	*	.	S	Bend	trans	-127.5	112.8	-176.3	-37.9	0	0	0	0	108.2	S267	S267-T269 PolarHBondContact O-N 3.25Å
270	T	43.7	Very low	67.3	Low	93 Å²	93	82.5 Å²	82.5	57%	0.571	45%	0.448	S	S	*	.			trans	95.7	109.6	173.8	73.2	0	0	0	0	117.4	N272	T270-N272 PolarHBondContact O-N 3.37Å; T270-N272 VanDerWaalsContact O-N 3.12Å
271	N	46.3	Very low	66	Low	172 Å²	172	89.2 Å²	89.2	92%	0.92	48%	0.477	S	S	*	.			trans	-74.5	23.3	168.4	-81	-20.4	0	0	0	113.2
272	N	47.7	Very low	64.3	Low	131 Å²	131	89.9 Å²	89.9	70%	0.701	48%	0.483	S	S	*	.			trans	-99.6	121	-178.5	-75.4	-6.4	0	0	0	109.7	T270 Y274	T270-N272 PolarHBondContact O-N 3.37Å; T270-N272 VanDerWaalsContact O-N 3.12Å; N272-Y274 VanDerWaalsContact C-N 3.33Å; N272-Y274 PolarHBondContact O-N 3.49Å
273	E	49	Very low	62.1	Low	154 Å²	154	92.6 Å²	92.6	72%	0.72	50%	0.502	S	S	*	.			trans	-62	92	172.4	-63.3	-169.9	138.5	0	0	109.5	K140	K140-E273 IonicContact NZ-OE1 3.93Å
274	Y	53.6	Low	59.7	Low	121 Å²	121	96.2 Å²	96.2	48%	0.475	53%	0.531	S	S	.	.			trans	-114.7	113.6	179.1	-157.4	-94.2	0	0	0	110.3	H191 N272 S277	H191-Y274 HydrophobicContact CB-CD1 3.76Å; H191-Y274 HydrophobicContact CB-CE1 3.87Å; H191-Y274 AromaticContact CG-CD1 3.82Å; N272-Y274 VanDerWaalsContact C-N 3.33Å; N272-Y274 PolarHBondContact O-N 3.49Å; Y274-S277 PolarHBondContact OH-OG 2.86Å
275	Y	55.8	Low	57.1	Low	155 Å²	155	99.7 Å²	99.7	61%	0.608	56%	0.555	S	S	*	*			trans	-77.2	145.4	172.8	-70.2	-83.5	0	0	0	110.2	S277	Y275-S277 PolarHBondContact O-N 3.25Å
276	P	57.3	Low	54.7	Low	29 Å²	29	98.8 Å²	98.8	19%	0.188	56%	0.559	C	S	.	*			trans	-58.4	116.6	178.1	-19.4	29.6	0	0	0	110.5	H191 L193	H191-P276 WeakPolarHBondContact O-CA 3.33Å; L193-P276 HydrophobicContact CD1-CB 4.23Å; L193-P276 HydrophobicContact CD2-CB 4.07Å; L193-P276 HydrophobicContact CD2-CG 3.86Å; L193-P276 HydrophobicContact CG-CB 3.73Å; L193-P276 HydrophobicContact CG-CG 4.07Å
277	S	54.1	Low	53	Low	74 Å²	74	96.9 Å²	96.9	52%	0.517	55%	0.547	S	S	.	.			trans	-86.3	-11.2	-176.5	59.3	0	0	0	0	113.2	H191 Y274 Y275	H191-S277 PolarHBondContact O-N 3.33Å; Y274-S277 PolarHBondContact OH-OG 2.86Å; Y275-S277 PolarHBondContact O-N 3.25Å
278	K	62.6	Low	51.5	Low	159 Å²	159	99.1 Å²	99.1	69%	0.691	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-146.8	143	-175.2	-63.2	-177.6	-177.4	175.5	0	111.8	C192 L193	C192-K278 CarbonylContact C-O 3.59Å; C192-K278 VanDerWaalsContact CA-O 3.23Å; C192-K278 WeakPolarHBondContact CA-O 3.29Å; C192-K278 WeakPolarHBondContact CB-O 3.29Å; L193-K278 PolarHBondContact N-O 3.14Å
279	S	65.5	Low	50.2	Low	70 Å²	70	97.8 Å²	97.8	49%	0.49	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	137.1	166.8	61.4	0	0	0	0	110.5	L193	L193-S279 CarbonylContact O-C 3.55Å; L193-S279 WeakPolarHBondContact O-CA 3.47Å
280	C	71.7	Confident	49.2	Very low	50 Å²	50	97.8 Å²	97.8	34%	0.338	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	144.7	171	55.9	0	0	0	0	110.2	L193 K195	L193-C280 PolarHBondContact O-N 3.15Å; K195-C280 PolarHBondContact N-O 3.3Å
281	F	70.2	Confident	48.6	Very low	140 Å²	140	100.4 Å²	100.4	61%	0.614	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.9	133.5	170.6	-68.7	-76	0	0	0	109.2	K195 S283	K195-F281 HydrophobicContact CB-CD1 4Å; K195-F281 HydrophobicContact CB-CE1 4.21Å; K195-F281 HydrophobicContact CD-CE1 4.44Å; K195-F281 WeakPolarHBondContact O-CA 3.11Å; F281-S283 PolarHBondContact O-N 3.19Å
282	A	64.2	Low	47.8	Very low	14 Å²	14	98.9 Å²	98.9	12%	0.116	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-63.7	130.8	168.3	0	0	0	0	0	109	I194 K195 F196 S284	I194-A282 HydrophobicContact CG2-CB 4.12Å; K195-A282 PolarHBondContact O-N 3.46Å; F196-A282 HydrophobicContact CD1-CB 3.51Å; F196-A282 HydrophobicContact CE1-CB 3.43Å; F196-A282 VanDerWaalsContact CE1-CB 3.43Å; F196-A282 HydrophobicContact CE2-CB 4.5Å; F196-A282 HydrophobicContact CG-CB 4.11Å; F196-A282 HydrophobicContact CZ-CB 3.96Å; A282-S284 PolarHBondContact O-N 3.45Å
283	S	51.2	Low	47	Very low	61 Å²	61	99.7 Å²	99.7	43%	0.427	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-59.3	127.7	177.1	54.9	0	0	0	0	109.9	F281 S285	F281-S283 PolarHBondContact O-N 3.19Å; S283-S285 PolarHBondContact O-N 2.68Å; S283-S285 PolarHBondContact OG-OG 2.87Å
284	S	44.4	Very low	46.1	Very low	106 Å²	106	98.9 Å²	98.9	74%	0.741	56%	0.555	S	S	*	*			trans	-71.6	15.7	-177.8	61.3	0	0	0	0	114.6	A282 A286	A282-S284 PolarHBondContact O-N 3.45Å; S284-A286 PolarHBondContact O-N 2.8Å; S284-A286 VanDerWaalsContact O-N 3.17Å
285	S	37.7	Very low	45.3	Very low	83 Å²	83	101.1 Å²	101.1	58%	0.58	58%	0.575	S	S	*	*			trans	-66.6	113.6	171.8	47.7	0	0	0	0	108.2	S283	S283-S285 PolarHBondContact O-N 2.68Å; S283-S285 PolarHBondContact OG-OG 2.87Å
286	A	33.8	Very low	44.4	Very low	60 Å²	60	100.8 Å²	100.8	50%	0.496	58%	0.584	S	S	.	*			trans	-45.5	142.6	166.5	0	0	0	0	0	109.1	S284 T288	S284-A286 PolarHBondContact O-N 2.8Å; S284-A286 VanDerWaalsContact O-N 3.17Å; A286-T288 VanDerWaalsContact C-N 3.3Å; A286-T288 PolarHBondContact O-N 3.15Å; A286-T288 PolarHBondContact O-OG1 3.04Å
287	P	36.3	Very low	43.4	Very low	66 Å²	66	107 Å²	107	43%	0.429	62%	0.615	S	S	.	*			trans	-59.2	98.3	176.1	22.9	-30.1	0	0	0	108.3	I212 T289	I212-P287 HydrophobicContact CD1-CG 4.24Å; P287-T289 PolarHBondContact O-N 3.3Å
288	T	30.3	Very low	42.8	Very low	93 Å²	93	109 Å²	109	57%	0.571	63%	0.629	S	S	*	*			trans	-77.1	120.8	169.8	-52.1	0	0	0	0	105.8	A286 T290	A286-T288 VanDerWaalsContact C-N 3.3Å; A286-T288 PolarHBondContact O-N 3.15Å; A286-T288 PolarHBondContact O-OG1 3.04Å; T288-T290 WeakPolarHBondContact CG2-OG1 3.48Å; T288-T290 PolarHBondContact O-N 3.48Å; T288-T290 PolarHBondContact O-OG1 3.01Å
289	T	28.5	Very low	41.3	Very low	122 Å²	122	108.9 Å²	108.9	75%	0.748	64%	0.636	S	S	*	*			trans	-64.1	76.5	162.8	13.3	0	0	0	0	108.1	P287 I291	P287-T289 PolarHBondContact O-N 3.3Å; T289-I291 PolarHBondContact O-N 2.87Å
290	T	30.3	Very low	39.9	Very low	100 Å²	100	112.2 Å²	112.2	61%	0.613	65%	0.654	S	S	*	*			trans	-90.6	105.8	173.7	-31.9	0	0	0	0	108.1	T288 I292	T288-T290 WeakPolarHBondContact CG2-OG1 3.48Å; T288-T290 PolarHBondContact O-N 3.48Å; T288-T290 PolarHBondContact O-OG1 3.01Å; T290-I292 PolarHBondContact O-N 3.32Å; T290-I292 VanDerWaalsContact O-N 3.12Å
291	I	29.3	Very low	37.8	Very low	148 Å²	148	118.7 Å²	118.7	76%	0.759	68%	0.679	S	S	*	*			trans	-59.2	108.7	163.9	-62.2	176.5	0	0	0	106.5	T289 N293	T289-I291 PolarHBondContact O-N 2.87Å; I291-N293 PolarHBondContact O-N 3.07Å; I291-N293 VanDerWaalsContact O-N 3.14Å
292	I	31.4	Very low	36	Very low	140 Å²	140	120.2 Å²	120.2	72%	0.718	69%	0.687	S	S	*	*			trans	-76.1	100.2	174.7	-61.1	175.1	0	0	0	107.3	T290	T290-I292 PolarHBondContact O-N 3.32Å; T290-I292 VanDerWaalsContact O-N 3.12Å
293	N	30	Very low	34.2	Very low	149 Å²	149	126.6 Å²	126.6	80%	0.797	73%	0.725	S	S	*	*			trans	-80.5	111.9	157.3	-90.5	-9.2	0	0	0	108	I291 N295	I291-N293 PolarHBondContact O-N 3.07Å; I291-N293 VanDerWaalsContact O-N 3.14Å; N293-N295 PolarHBondContact O-N 3.38Å
294	N	30.1	Very low	33.3	Very low	137 Å²	137	128.2 Å²	128.2	73%	0.733	74%	0.736	S	S	*	*			trans	-63.8	119.4	170	-81.6	-19.3	0	0	0	109.9
295	N	36	Very low	32.4	Very low	167 Å²	167	129.1 Å²	129.1	89%	0.893	74%	0.742	S	S	*	*			trans	-149.2	117.2	147.9	-100.7	-18	0	0	0	110.1	N293	N293-N295 PolarHBondContact O-N 3.38Å
296	N	36.9	Very low	31.9	Very low	149 Å²	149	131 Å²	131	80%	0.797	75%	0.75	S	S	*	*			trans	-67.8	135.2	176.5	-65.6	-34.4	0	0	0	110.8
297	N	37.8	Very low	31.6	Very low	158 Å²	158	134.2 Å²	134.2	85%	0.845	76%	0.763	S	S	*	*				175.4	151.9	115.3	-108.1	-21.8	0	0	0	113.8
298	S	39.8	Very low	31.2	Very low	117 Å²	117	142 Å²	142	82%	0.818	78%	0.784	S	S	*	*			trans	104.5	118.6	152.5	73.6	0	0	0	0	119
299	N	31.8	Very low	31.2	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	78%	0.781	S	S	*	*			trans	-64.8	140	179.3	-63.8	-40.8	0	0	0	112.9
300	T	36.1	Very low	31.5	Very low	140 Å²	140	139.7 Å²	139.7	86%	0.859	77%	0.767	S	S	*	*			trans	-150.2	123.9	144.2	29.3	0	0	0	0	109.7	H302	T300-H302 PolarHBondContact O-N 2.9Å
301	H	27.9	Very low	31.8	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.856	77%	0.77	S	S	*	*			trans	-71.7	117.9	175.8	-81	-77.1	0	0	0	110.4
302	H	32.1	Very low	32.3	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.796	75%	0.753	S	S	*	*			trans	-143.7	123.2	154.6	-98.5	-69.6	0	0	0	109.6	T300 S304	T300-H302 PolarHBondContact O-N 2.9Å; H302-S304 PolarHBondContact O-N 3.22Å; H302-S304 VanDerWaalsContact O-N 3.14Å
303	T	27.4	Very low	32.5	Very low	148 Å²	148	136.5 Å²	136.5	91%	0.908	75%	0.753	S	S	*	*			trans	-64.8	102.3	172.6	41.5	0	0	0	0	110
304	S	31	Very low	32.6	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	74%	0.738	S	S	*	*			trans	-144	139.8	168.9	60.1	0	0	0	0	110	H302 T306	H302-S304 PolarHBondContact O-N 3.22Å; H302-S304 VanDerWaalsContact O-N 3.14Å; S304-T306 PolarHBondContact O-N 3.03Å
305	C	25.6	Very low	32.8	Very low	126 Å²	126	135.7 Å²	135.7	85%	0.851	74%	0.743	S	S	*	*			trans	-53.4	110.9	-179.4	-57	0	0	0	0	110.2	T307	C305-T307 PolarHBondContact O-N 3.27Å
306	T	26.6	Very low	32.6	Very low	123 Å²	123	132.3 Å²	132.3	76%	0.755	73%	0.725	S	S	*	*			trans	-70.6	94.4	178.5	51.8	0	0	0	0	109.7	S304 R308	S304-T306 PolarHBondContact O-N 3.03Å; T306-R308 VanDerWaalsContact C-N 3.28Å; T306-R308 PolarHBondContact O-N 3Å
307	T	28.7	Very low	32.4	Very low	127 Å²	127	128.9 Å²	128.9	78%	0.779	71%	0.709	S	S	*	*			trans	-65.7	91.2	158.1	46.2	0	0	0	0	107.7	C305 N309	C305-T307 PolarHBondContact O-N 3.27Å; T307-N309 PolarHBondContact O-N 3.07Å
308	R	27.9	Very low	32	Very low	230 Å²	230	127.6 Å²	127.6	87%	0.868	70%	0.702	S	S	*	*			trans	-67.9	111.2	164.7	-78.2	-175.3	178	-173.3	-0.6	107	T306	T306-R308 VanDerWaalsContact C-N 3.28Å; T306-R308 PolarHBondContact O-N 3Å
309	N	30.9	Very low	31.6	Very low	95 Å²	95	129.5 Å²	129.5	51%	0.508	70%	0.703	S	S	.	*			trans	-51.3	127.8	166.8	-76.6	-26.8	0	0	0	108.2	T307 T311	T307-N309 PolarHBondContact O-N 3.07Å; N309-T311 PolarHBondContact O-N 3.45Å
310	P	34.2	Very low	31.7	Very low	70 Å²	70	124.9 Å²	124.9	46%	0.455	68%	0.683	S	S	.	*			trans	-70.2	86	161.1	28.4	-26.6	0	0	0	105.8	I194 L312	I194-P310 HydrophobicContact CD1-CB 4.05Å; I194-P310 HydrophobicContact CD1-CG 4.07Å; I194-P310 HydrophobicContact CG2-CG 4.42Å; P310-L312 PolarHBondContact O-N 2.78Å
311	T	36.3	Very low	31.7	Very low	109 Å²	109	122.2 Å²	122.2	67%	0.669	67%	0.668	S	S	*	*			trans	-61.8	104.5	167.4	8.1	0	0	0	0	106.3	N309 N313	N309-T311 PolarHBondContact O-N 3.45Å; T311-N313 PolarHBondContact O-N 3.21Å; T311-N313 VanDerWaalsContact O-N 3.08Å
312	L	39.4	Very low	32.5	Very low	76 Å²	76	121.3 Å²	121.3	40%	0.398	67%	0.67	S	S	.	*			trans	-51	116.4	158.9	-116.8	136.7	0	0	0	106.1	F196 P216 P310 N314	F196-L312 HydrophobicContact CE1-CD1 4.46Å; F196-L312 HydrophobicContact CZ-CD1 4.29Å; P216-L312 HydrophobicContact CB-CD1 4.33Å; P216-L312 HydrophobicContact CB-CD2 3.83Å; P216-L312 HydrophobicContact CG-CD1 4.45Å; P216-L312 HydrophobicContact CG-CD2 3.43Å; P216-L312 VanDerWaalsContact CG-CD2 3.43Å; P310-L312 PolarHBondContact O-N 2.78Å; L312-N314 PolarHBondContact O-N 3.35Å
313	N	35.1	Very low	33	Very low	136 Å²	136	114.5 Å²	114.5	73%	0.727	64%	0.638	S	S	*	*			trans	-51.7	112	-176.4	-96.2	-13.6	0	0	0	109.4	T311 Q315	T311-N313 PolarHBondContact O-N 3.21Å; T311-N313 VanDerWaalsContact O-N 3.08Å; N313-Q315 PolarHBondContact O-N 3Å
314	N	33.5	Very low	33.8	Very low	91 Å²	91	112.1 Å²	112.1	49%	0.487	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-66.1	10.1	-178.6	-84.1	-16.7	0	0	0	114	L312 L316	L312-N314 PolarHBondContact O-N 3.35Å; N314-L316 VanDerWaalsContact C-N 3.31Å; N314-L316 PolarHBondContact O-N 3.08Å
315	Q	33.1	Very low	34.4	Very low	179 Å²	179	109.4 Å²	109.4	84%	0.836	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-79.7	-4.6	-176.2	-74.2	-165.8	-25.3	0	0	114.7	N313	N313-Q315 PolarHBondContact O-N 3Å
316	L	32.3	Very low	35	Very low	96 Å²	96	109.8 Å²	109.8	50%	0.503	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-100.7	2.8	-179.4	-100.2	145.8	0	0	0	115.3	K215 N314	K215-L316 HydrophobicContact CD-CD1 4.49Å; K215-L316 HydrophobicContact CD-CD2 4.38Å; N314-L316 VanDerWaalsContact C-N 3.31Å; N314-L316 PolarHBondContact O-N 3.08Å
317	V	31.8	Very low	35.4	Very low	77 Å²	77	112.2 Å²	112.2	47%	0.467	60%	0.596	S	S	.	*	S	Bend	trans	-85	-16.2	-175.1	-174.2	0	0	0	0	113.1
318	N	30	Very low	35.4	Very low	131 Å²	131	116.5 Å²	116.5	70%	0.701	60%	0.604	S	S	*	*	S	Bend	trans	-97.5	-2.8	-167.4	-67.8	-9.9	0	0	0	115.9
319	N	31.7	Very low	35.6	Very low	157 Å²	157	110 Å²	110	84%	0.84	60%	0.598	S	S	*	*			trans	-138.9	80.1	-179.7	-73.6	-26.6	0	0	0	110.8
320	S	33.3	Very low	35.6	Very low	59 Å²	59	110.2 Å²	110.2	41%	0.413	61%	0.608	S	S	.	*			trans	-123.3	115	171	-157.1	0	0	0	0	110.2
321	P	37.1	Very low	35.3	Very low	85 Å²	85	111.4 Å²	111.4	55%	0.552	61%	0.614	S	S	*	*			trans	-65.6	144.1	170.5	25.7	-29.1	0	0	0	109.9	F323	P321-F323 PolarHBondContact O-N 2.77Å
322	N	45.2	Very low	35.1	Very low	166 Å²	166	110 Å²	110	89%	0.888	62%	0.621	S	S	*	*			trans	-45.8	122.5	-177.9	-77	-37.6	0	0	0	112.1	P324	N322-P324 WeakPolarHBondContact O-CD 3.21Å
323	F	41.7	Very low	34.7	Very low	28 Å²	28	114.8 Å²	114.8	12%	0.123	65%	0.647	C	S	.	*			trans	-76.5	117.7	178.7	-147.1	-81.5	0	0	0	109.7	Y210 P321 F325 L406 Y409	Y210-F323 HydrophobicContact CD2-CE2 4.47Å; Y210-F323 HydrophobicContact CG-CE2 4.29Å; P321-F323 PolarHBondContact O-N 2.77Å; F323-F325 HydrophobicContact CB-CE2 4.47Å; F323-F325 AromaticContact CD1-CD2 3.81Å; F323-F325 HydrophobicContact CD1-CD2 3.81Å; F323-F325 AromaticContact CD1-CE2 3.43Å; F323-F325 HydrophobicContact CD1-CE2 3.43Å; F323-F325 VanDerWaalsContact CD1-CE2 3.43Å; F323-F325 AromaticContact CD1-CZ 3.97Å; F323-F325 HydrophobicContact CD1-CZ 3.97Å; F323-F325 AromaticContact CE1-CE2 3.92Å; F323-F325 HydrophobicContact CE1-CE2 3.92Å; F323-F325 AromaticContact CE1-CZ 3.97Å; F323-F325 HydrophobicContact CE1-CZ 3.97Å; F323-F325 HydrophobicContact CG-CE2 4.15Å; F323-F325 PolarHBondContact O-N 2.87Å; F323-L406 HydrophobicContact CE2-CD1 3.94Å; F323-L406 HydrophobicContact CZ-CD1 3.58Å; F323-Y409 HydrophobicContact CD2-CD1 4.13Å; F323-Y409 HydrophobicContact CD2-CD2 4.35Å; F323-Y409 AromaticContact CD2-CE1 3.87Å; F323-Y409 HydrophobicContact CD2-CE1 3.87Å; F323-Y409 HydrophobicContact CD2-CE2 4.11Å; F323-Y409 HydrophobicContact CD2-CG 4.35Å; F323-Y409 AromaticContact CD2-CZ 3.86Å; F323-Y409 AromaticContact CE2-CD1 3.3Å; F323-Y409 HydrophobicContact CE2-CD1 3.3Å; F323-Y409 AromaticContact CE2-CD2 3.91Å; F323-Y409 HydrophobicContact CE2-CD2 3.91Å; F323-Y409 AromaticContact CE2-CE1 3.49Å; F323-Y409 HydrophobicContact CE2-CE1 3.49Å; F323-Y409 VanDerWaalsContact CE2-CE1 3.49Å; F323-Y409 HydrophobicContact CE2-CE2 4.08Å; F323-Y409 AromaticContact CE2-CG 3.51Å; F323-Y409 HydrophobicContact CE2-CG 3.51Å; F323-Y409 AromaticContact CE2-CZ 3.88Å; F323-Y409 AromaticContact CZ-CD1 3.97Å; F323-Y409 HydrophobicContact CZ-CD1 3.97Å; F323-Y409 HydrophobicContact CZ-CD2 4.22Å; F323-Y409 AromaticContact CZ-CG 3.78Å; F323-Y409 HydrophobicContact CZ-CG 3.78Å
324	P	45.1	Very low	34.5	Very low	98 Å²	98	111.4 Å²	111.4	64%	0.636	64%	0.644	S	S	*	*			trans	-81.8	88.4	179.5	31.3	-30.3	0	0	0	109.8	N322 I326	N322-P324 WeakPolarHBondContact O-CD 3.21Å; P324-I326 PolarHBondContact O-N 2.76Å; P324-I326 VanDerWaalsContact O-N 3.11Å
325	F	43.6	Very low	34.5	Very low	39 Å²	39	114.5 Å²	114.5	17%	0.171	66%	0.661	C	S	.	*			trans	-71.9	99.1	157.1	-78.9	-81.9	0	0	0	107.5	K175 L176 P206 F323 H327 N402	K175-F325 HydrophobicContact CG-CG 4.48Å; L176-F325 HydrophobicContact CD2-CE1 3.54Å; L176-F325 HydrophobicContact CD2-CE2 4.09Å; L176-F325 HydrophobicContact CD2-CZ 3.25Å; P206-F325 HydrophobicContact CB-CD2 4.07Å; P206-F325 HydrophobicContact CB-CE2 3.43Å; P206-F325 VanDerWaalsContact CB-CE2 3.43Å; P206-F325 HydrophobicContact CB-CZ 4.04Å; F323-F325 HydrophobicContact CB-CE2 4.47Å; F323-F325 AromaticContact CD1-CD2 3.81Å; F323-F325 HydrophobicContact CD1-CD2 3.81Å; F323-F325 AromaticContact CD1-CE2 3.43Å; F323-F325 HydrophobicContact CD1-CE2 3.43Å; F323-F325 VanDerWaalsContact CD1-CE2 3.43Å; F323-F325 AromaticContact CD1-CZ 3.97Å; F323-F325 HydrophobicContact CD1-CZ 3.97Å; F323-F325 AromaticContact CE1-CE2 3.92Å; F323-F325 HydrophobicContact CE1-CE2 3.92Å; F323-F325 AromaticContact CE1-CZ 3.97Å; F323-F325 HydrophobicContact CE1-CZ 3.97Å; F323-F325 HydrophobicContact CG-CE2 4.15Å; F323-F325 PolarHBondContact O-N 2.87Å; F325-H327 PolarHBondContact O-N 2.91Å; F325-H327 VanDerWaalsContact O-N 3.14Å; F325-N402 HydrophobicContact CE1-CB 4.44Å
326	I	36.8	Very low	34.5	Very low	134 Å²	134	114 Å²	114	69%	0.687	66%	0.664	S	S	*	*			trans	-54.4	117.2	-174.4	-66.3	174.1	0	0	0	110.9	P324 K328	P324-I326 PolarHBondContact O-N 2.76Å; P324-I326 VanDerWaalsContact O-N 3.11Å; I326-K328 PolarHBondContact O-N 3.4Å
327	H	35.9	Very low	34.5	Very low	174 Å²	174	113.1 Å²	113.1	81%	0.806	68%	0.678	S	S	*	*			trans	-58.6	124.7	155.1	-89.6	-93	0	0	0	108.6	F325 A329	F325-H327 PolarHBondContact O-N 2.91Å; F325-H327 VanDerWaalsContact O-N 3.14Å; H327-A329 PolarHBondContact O-N 3.44Å
328	K	29.4	Very low	34.4	Very low	217 Å²	217	117.5 Å²	117.5	94%	0.943	70%	0.699	S	S	*	*			trans	-59.3	105.7	173.5	-149.2	178.6	-170.8	-178.1	0	108.3	I326	I326-K328 PolarHBondContact O-N 3.4Å
329	A	31.1	Very low	34.5	Very low	92 Å²	92	117.1 Å²	117.1	76%	0.76	71%	0.706	S	S	*	*			trans	-121.7	110	173.9	0	0	0	0	0	110.2	H327	H327-A329 PolarHBondContact O-N 3.44Å
330	S	30.8	Very low	34.3	Very low	100 Å²	100	115.1 Å²	115.1	70%	0.699	71%	0.705	S	S	*	*			trans	16.1	131.3	155.3	-147.6	0	0	0	0	121.2
331	T	27.4	Very low	34.1	Very low	96 Å²	96	117.9 Å²	117.9	59%	0.589	72%	0.722	S	S	*	*			trans	-42.5	128.4	161.1	47.4	0	0	0	0	114.6
332	G	32.5	Very low	33.8	Very low	80 Å²	80	122.3 Å²	122.3	83%	0.825	74%	0.735	S	S	*	*			trans	-133.5	117.5	165.5	0	0	0	0	0	110.3
333	N	30.4	Very low	32.9	Very low	175 Å²	175	118.7 Å²	118.7	94%	0.936	73%	0.729	S	S	*	*			trans	-75.4	143.7	-179.2	-164.8	26.1	0	0	0	110.8
334	G	32.7	Very low	32.4	Very low	65 Å²	65	124 Å²	124	67%	0.67	76%	0.764	S	S	*	*			trans	160.4	92.3	166.2	0	0	0	0	0	118.4
335	N	33.7	Very low	31.5	Very low	157 Å²	157	125 Å²	125	84%	0.84	77%	0.768	S	S	*	*			trans	56.4	114.3	138.7	-68.2	-6.2	0	0	0	123.4
336	N	31.7	Very low	30.7	Very low	169 Å²	169	128.9 Å²	128.9	90%	0.904	80%	0.795	S	S	*	*			trans	13.7	125	131.5	-71.9	-8.8	0	0	0	119.6
337	G	33.1	Very low	30.4	Very low	76 Å²	76	127.9 Å²	127.9	78%	0.784	80%	0.796	S	S	*	*			trans	-169.2	92.3	158.9	0	0	0	0	0	111.1
338	N	28.6	Very low	29.9	Very low	170 Å²	170	126.3 Å²	126.3	91%	0.909	80%	0.798	S	S	*	*			trans	-59.4	130.4	166.9	-109.2	-3.3	0	0	0	109.5
339	S	33.3	Very low	30	Very low	122 Å²	122	121.5 Å²	121.5	85%	0.853	79%	0.787	S	S	*	*			trans	-157.4	119.1	154	-80.6	0	0	0	0	110.7
340	S	26.5	Very low	29.8	Very low	116 Å²	116	124 Å²	124	81%	0.811	79%	0.794	S	S	*	*			trans	-81.2	137.3	172.6	55.1	0	0	0	0	111.5
341	C	28.9	Very low	30	Very low	116 Å²	116	124.9 Å²	124.9	78%	0.784	79%	0.794	S	S	*	*			trans	172.8	148.5	152.9	49.6	0	0	0	0	107.2
342	H	31.9	Very low	30.4	Very low	178 Å²	178	126.2 Å²	126.2	82%	0.824	80%	0.803	S	S	*	*			cis	-161.5	146.7	-8.4	-126.9	-60.4	0	0	0	104.2
343	A	26.5	Very low	30.8	Very low	91 Å²	91	127.1 Å²	127.1	75%	0.752	80%	0.796	S	S	*	*			trans	-57	140.2	171.5	0	0	0	0	0	111.7
344	T	31.6	Very low	32	Very low	139 Å²	139	122.5 Å²	122.5	85%	0.853	77%	0.774	S	S	*	*			trans	-137.8	121.4	159.9	-57	0	0	0	0	109.3
345	T	24.8	Very low	34.1	Very low	118 Å²	118	125.1 Å²	125.1	72%	0.724	78%	0.778	S	S	*	*			trans	-73.6	162.9	-179.3	-51.5	0	0	0	0	111.9
346	T	27	Very low	36.8	Very low	121 Å²	121	118.8 Å²	118.8	74%	0.742	75%	0.745	S	S	*	*			trans	85.1	121.5	159.5	-11.3	0	0	0	0	113.3
347	T	30.1	Very low	39.8	Very low	114 Å²	114	113.7 Å²	113.7	70%	0.699	72%	0.715	S	S	*	*				-162	131.9	51.5	-51.9	0	0	0	0	109.8	T349	T347-T349 PolarHBondContact O-N 2.8Å; T347-T349 VanDerWaalsContact O-N 3.12Å
348	T	25.8	Very low	42.9	Very low	141 Å²	141	110.5 Å²	110.5	87%	0.865	68%	0.682	S	S	*	*			trans	-74.1	94	174.7	-13.4	0	0	0	0	109.2
349	T	32.1	Very low	46.2	Very low	115 Å²	115	104 Å²	104	71%	0.706	65%	0.646	S	S	*	*			trans	-89.6	109.3	165	-0.2	0	0	0	0	108.1	T347 T351	T347-T349 PolarHBondContact O-N 2.8Å; T347-T349 VanDerWaalsContact O-N 3.12Å; T349-T351 PolarHBondContact O-N 2.81Å; T349-T351 PolarHBondContact O-OG1 3.28Å
350	T	27.1	Very low	49.3	Very low	146 Å²	146	98.4 Å²	98.4	90%	0.896	61%	0.607	S	S	*	*			trans	-64	82.4	168.5	18	0	0	0	0	110
351	T	34.1	Very low	52.7	Low	117 Å²	117	95.2 Å²	95.2	72%	0.718	58%	0.577	S	S	*	*			trans	-90.7	117.5	161	13.3	0	0	0	0	107.5	T349 S353	T349-T351 PolarHBondContact O-N 2.81Å; T349-T351 PolarHBondContact O-OG1 3.28Å; T351-S353 PolarHBondContact O-N 2.89Å
352	T	35.5	Very low	56	Low	125 Å²	125	89.7 Å²	89.7	77%	0.767	54%	0.54	S	S	*	.			trans	-46.7	107.2	169	42.7	0	0	0	0	109	T354	T352-T354 VanDerWaalsContact C-N 3.25Å; T352-T354 PolarHBondContact O-N 2.71Å
353	S	40.7	Very low	59.1	Low	98 Å²	98	82.6 Å²	82.6	69%	0.685	51%	0.508	S	S	*	.			trans	-66.9	85.6	179.9	176.9	0	0	0	0	108.6	T351 T355	T351-S353 PolarHBondContact O-N 2.89Å; S353-T355 VanDerWaalsContact C-N 3.26Å; S353-T355 PolarHBondContact O-N 3.01Å
354	T	55.6	Low	62.4	Low	78 Å²	78	80.5 Å²	80.5	48%	0.479	48%	0.484	S	S	.	.			trans	-67.1	95.3	161.5	46.4	0	0	0	0	106.7	K227 T352 V356	K227-T354 PolarHBondContact NZ-OG1 3.43Å; T352-T354 VanDerWaalsContact C-N 3.25Å; T352-T354 PolarHBondContact O-N 2.71Å; T354-V356 PolarHBondContact O-N 3.02Å
355	T	77.6	Confident	65.4	Low	121 Å²	121	73.9 Å²	73.9	74%	0.742	44%	0.443	S	S	*	.			trans	-63.9	124.6	172.4	50.1	0	0	0	0	108.3	S353	S353-T355 VanDerWaalsContact C-N 3.26Å; S353-T355 PolarHBondContact O-N 3.01Å
356	V	90.5	Very high	68.5	Low	24 Å²	24	68.5 Å²	68.5	15%	0.145	41%	0.411	C	S	.	.			trans	-73.5	136.6	175.8	-60.5	0	0	0	0	110	Y224 K227 L228 N231 T354	Y224-V356 HydrophobicContact CD2-CG1 4Å; Y224-V356 HydrophobicContact CE2-CB 4.36Å; Y224-V356 HydrophobicContact CE2-CG1 3.64Å; K227-V356 HydrophobicContact CB-CG1 3.57Å; K227-V356 HydrophobicContact CD-CG1 4.43Å; L228-V356 HydrophobicContact CD2-CB 3.85Å; L228-V356 HydrophobicContact CD2-CG1 4.13Å; L228-V356 HydrophobicContact CD2-CG2 4.28Å; L228-V356 HydrophobicContact CG-CG1 4.31Å; N231-V356 HydrophobicContact CB-CG2 3.68Å; T354-V356 PolarHBondContact O-N 3.02Å
357	H	95.3	Very high	71.5	Confident	61 Å²	61	63.2 Å²	63.2	28%	0.282	38%	0.378	S	S	.	.			trans	-95.6	98.9	169.5	-178.3	-148.2	0	0	0	108.1	D138 F139 H262 E263	D138-H357 PolarHBondContact O-CE1 3.45Å; D138-H357 IonicContact OD2-CE1 2.8Å; D138-H357 PolarHBondContact OD2-CE1 2.99Å; D138-H357 IonicContact OD2-NE2 3.71Å; D138-H357 PolarHBondContact OD2-NE2 3.1Å; F139-H357 AromaticContact CD1-CE1 3.68Å; F139-H357 AromaticContact CD1-ND1 3.66Å; F139-H357 AromaticContact CD2-CE1 3.8Å; F139-H357 AromaticContact CE1-CE1 3.63Å; F139-H357 AromaticContact CE1-CG 3.92Å; F139-H357 AromaticContact CE1-ND1 3.64Å; F139-H357 AromaticContact CE1-NE2 3.93Å; F139-H357 AromaticContact CE2-CE1 3.8Å; F139-H357 AromaticContact CE2-NE2 3.83Å; F139-H357 AromaticContact CG-CE1 3.78Å; F139-H357 AromaticContact CZ-CE1 3.72Å; F139-H357 AromaticContact CZ-NE2 3.64Å; H262-H357 WeakPolarHBondContact CA-O 3.28Å; E263-H357 HydrophobicContact CB-CB 4.11Å; E263-H357 PolarHBondContact N-O 2.96Å
358	A	97.2	Very high	74.4	Confident	10 Å²	10	59.1 Å²	59.1	8%	0.083	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.9	-178	0	0	0	0	0	110.3	L228 Y232 Q235 I261 H262	L228-A358 HydrophobicContact CD2-CB 3.88Å; Y232-A358 HydrophobicContact CE1-CB 4.11Å; Q235-A358 PolarHBondContact NE2-O 3.43Å; I261-A358 CarbonylContact O-C 3.51Å; I261-A358 WeakPolarHBondContact O-CA 3.34Å; H262-A358 HydrophobicContact CB-CB 3.84Å
359	Q	97.9	Very high	77.3	Confident	33 Å²	33	53.8 Å²	53.8	15%	0.154	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.5	-177.2	-66.2	176.6	4.5	0	0	110.9	D138 F139 I261 Y361	D138-Q359 PolarHBondContact OD2-NE2 2.74Å; D138-Q359 VanDerWaalsContact OD2-NE2 3.11Å; F139-Q359 HydrophobicContact CE2-CG 4.38Å; F139-Q359 HydrophobicContact CZ-CB 4.21Å; F139-Q359 HydrophobicContact CZ-CG 3.95Å; I261-Q359 PolarHBondContact N-O 3.17Å; I261-Q359 PolarHBondContact O-N 3.28Å; Q359-Y361 HydrophobicContact CB-CD2 4.33Å; Q359-Y361 HydrophobicContact CB-CE2 3.66Å; Q359-Y361 HydrophobicContact CG-CE2 4.41Å; Q359-Y361 VanDerWaalsContact OE1-CE2 3.31Å; Q359-Y361 PolarHBondContact OE1-OH 3.41Å
360	V	98.5	Very high	79.8	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.3	178.2	-176.5	0	0	0	0	110.5	Y232 Q235 L236 I239 I258 L259 L260	Y232-V360 HydrophobicContact CD1-CG2 3.43Å; Y232-V360 VanDerWaalsContact CD1-CG2 3.43Å; Y232-V360 HydrophobicContact CE1-CG2 3.81Å; Q235-V360 HydrophobicContact CB-CB 3.96Å; Q235-V360 HydrophobicContact CB-CG2 3.63Å; Q235-V360 HydrophobicContact CG-CG2 4.38Å; Q235-V360 VanDerWaalsContact OE1-N 3.1Å; L236-V360 HydrophobicContact CD2-CG1 3.84Å; L236-V360 HydrophobicContact CG-CG1 4.47Å; I239-V360 HydrophobicContact CD1-CB 4.41Å; I239-V360 HydrophobicContact CD1-CG1 3.61Å; I258-V360 HydrophobicContact CG2-CG1 3.7Å; L259-V360 WeakPolarHBondContact O-CA 3.08Å; L260-V360 HydrophobicContact CD2-CB 4.29Å; L260-V360 HydrophobicContact CD2-CG1 3.82Å; L260-V360 HydrophobicContact CD2-CG2 3.64Å
361	Y	98.6	Very high	82.5	Confident	48 Å²	48	47.8 Å²	47.8	19%	0.188	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.2	178.4	-66.5	-82.5	0	0	0	112.9	F112 L135 I258 L259 I261 Q359	F112-Y361 CarbonylContact O-C 3.43Å; F112-Y361 WeakPolarHBondContact O-CA 3.41Å; L135-Y361 HydrophobicContact CB-CD2 4.3Å; L135-Y361 HydrophobicContact CB-CE2 4.31Å; L135-Y361 HydrophobicContact CD1-CD1 4.4Å; L135-Y361 HydrophobicContact CD1-CD2 3.61Å; L135-Y361 HydrophobicContact CD1-CE2 4.32Å; L135-Y361 HydrophobicContact CD1-CG 3.65Å; L135-Y361 HydrophobicContact CD2-CD1 3.89Å; L135-Y361 HydrophobicContact CD2-CD2 3.82Å; L135-Y361 HydrophobicContact CD2-CE1 3.85Å; L135-Y361 HydrophobicContact CD2-CE2 3.74Å; L135-Y361 HydrophobicContact CD2-CG 3.88Å; L135-Y361 HydrophobicContact CG-CD2 4.12Å; L135-Y361 HydrophobicContact CG-CE2 4.34Å; L135-Y361 HydrophobicContact CG-CG 4.35Å; I258-Y361 CarbonylContact C-O 3.46Å; I258-Y361 WeakPolarHBondContact CA-O 3.26Å; L259-Y361 PolarHBondContact N-O 3.35Å; L259-Y361 PolarHBondContact O-N 2.99Å; I261-Y361 HydrophobicContact CD1-CD2 4.27Å; Q359-Y361 HydrophobicContact CB-CD2 4.33Å; Q359-Y361 HydrophobicContact CB-CE2 3.66Å; Q359-Y361 HydrophobicContact CG-CE2 4.41Å; Q359-Y361 VanDerWaalsContact OE1-CE2 3.31Å; Q359-Y361 PolarHBondContact OE1-OH 3.41Å
362	L	98.2	Very high	84	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.7	162.2	-68.5	170.7	0	0	0	109.6	L109 F112 I113 I239 W242 S257 I258 F365 F396	L109-L362 HydrophobicContact CD1-CD1 3.83Å; F112-L362 HydrophobicContact CB-CD1 4.49Å; F112-L362 PolarHBondContact O-N 2.85Å; I113-L362 HydrophobicContact CG2-CB 4.01Å; I239-L362 HydrophobicContact CD1-CG 4.46Å; I239-L362 HydrophobicContact CG2-CD1 3.89Å; I239-L362 HydrophobicContact CG2-CD2 4.41Å; I239-L362 HydrophobicContact CG2-CG 4.24Å; W242-L362 HydrophobicContact CZ3-CD1 4.04Å; S257-L362 WeakPolarHBondContact O-CA 3.39Å; I258-L362 HydrophobicContact CD1-CD2 4.26Å; I258-L362 HydrophobicContact CG1-CD2 3.49Å; I258-L362 VanDerWaalsContact CG1-CD2 3.49Å; L362-F365 VanDerWaalsContact C-CZ 3.44Å; L362-F365 HydrophobicContact CB-CE1 4.07Å; L362-F365 HydrophobicContact CB-CZ 3.68Å; L362-F365 VanDerWaalsContact O-CZ 3.29Å; L362-F365 WeakPolarHBondContact O-CZ 3.43Å; L362-F396 HydrophobicContact CD2-CE2 4.17Å; L362-F396 HydrophobicContact CD2-CZ 3.62Å
363	I	97.4	Very high	84.8	Confident	30 Å²	30	51.3 Å²	51.3	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	173.8	-178.5	65	169.2	0	0	0	111.6	P114 L135 S256 S257 L259	P114-I363 HydrophobicContact CG-CG2 4.18Å; L135-I363 HydrophobicContact CD1-CG2 4.18Å; S256-I363 WeakPolarHBondContact CA-O 3.37Å; S256-I363 WeakPolarHBondContact CB-O 3.44Å; S257-I363 PolarHBondContact N-O 3.28Å; S257-I363 PolarHBondContact O-N 2.94Å; L259-I363 HydrophobicContact CB-CD1 4.02Å; L259-I363 HydrophobicContact CB-CG1 4.41Å; L259-I363 HydrophobicContact CD1-CD1 4.12Å; L259-I363 HydrophobicContact CD2-CD1 4.24Å; L259-I363 HydrophobicContact CG-CD1 4.37Å
364	D	94.7	Very high	84.7	Confident	46 Å²	46	50.2 Å²	50.2	25%	0.246	26%	0.257	C	S	.	.			trans	63.8	70.5	175	-165.4	16	0	0	0	113.1	K148 S256	K148-D364 IonicContact NZ-OD2 3.89Å; K148-D364 PolarHBondContact NZ-OD2 2.86Å; S256-D364 VanDerWaalsContact CA-O 3.26Å; S256-D364 WeakPolarHBondContact CA-O 3.33Å; S256-D364 WeakPolarHBondContact CB-O 3.26Å; S256-D364 PolarHBondContact OG-O 3.11Å
365	F	94.7	Very high	83.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.			trans	-98.5	25.7	-175.4	-52.6	-73.8	0	0	0	113.4	E90 F93 Y94 I113 F253 L362 H367	E90-F365 HydrophobicContact CG-CB 4.17Å; E90-F365 PolarHBondContact OE1-N 3.16Å; F93-F365 HydrophobicContact CB-CB 4.05Å; F93-F365 HydrophobicContact CD1-CB 3.36Å; F93-F365 HydrophobicContact CD1-CD1 4.15Å; F93-F365 AromaticContact CD1-CD2 3.48Å; F93-F365 HydrophobicContact CD1-CD2 3.48Å; F93-F365 VanDerWaalsContact CD1-CD2 3.48Å; F93-F365 HydrophobicContact CD1-CE2 4.27Å; F93-F365 AromaticContact CD1-CG 3.39Å; F93-F365 HydrophobicContact CD1-CG 3.39Å; F93-F365 HydrophobicContact CD2-CB 4.14Å; F93-F365 HydrophobicContact CD2-CG 4.43Å; F93-F365 HydrophobicContact CE1-CB 3.73Å; F93-F365 AromaticContact CE1-CD1 3.59Å; F93-F365 HydrophobicContact CE1-CD1 3.59Å; F93-F365 AromaticContact CE1-CD2 3.17Å; F93-F365 HydrophobicContact CE1-CD2 3.17Å; F93-F365 AromaticContact CE1-CE1 3.92Å; F93-F365 HydrophobicContact CE1-CE1 3.92Å; F93-F365 AromaticContact CE1-CE2 3.53Å; F93-F365 HydrophobicContact CE1-CE2 3.53Å; F93-F365 AromaticContact CE1-CG 3.19Å; F93-F365 HydrophobicContact CE1-CG 3.19Å; F93-F365 AromaticContact CE1-CZ 3.89Å; F93-F365 HydrophobicContact CE1-CZ 3.89Å; F93-F365 HydrophobicContact CE2-CB 4.45Å; F93-F365 HydrophobicContact CE2-CD1 4.08Å; F93-F365 HydrophobicContact CE2-CG 4.27Å; F93-F365 HydrophobicContact CG-CB 3.57Å; F93-F365 HydrophobicContact CG-CD2 4.49Å; F93-F365 HydrophobicContact CG-CG 4.01Å; F93-F365 HydrophobicContact CZ-CB 4.23Å; F93-F365 AromaticContact CZ-CD1 3.52Å; F93-F365 HydrophobicContact CZ-CD1 3.52Å; F93-F365 AromaticContact CZ-CD2 4Å; F93-F365 HydrophobicContact CZ-CD2 4Å; F93-F365 AromaticContact CZ-CE1 3.75Å; F93-F365 HydrophobicContact CZ-CE1 3.75Å; F93-F365 HydrophobicContact CZ-CE2 4.2Å; F93-F365 AromaticContact CZ-CG 3.65Å; F93-F365 HydrophobicContact CZ-CG 3.65Å; F93-F365 HydrophobicContact CZ-CZ 4.07Å; Y94-F365 HydrophobicContact CE1-CE2 4.49Å; Y94-F365 AromaticContact CE2-CD2 3.94Å; Y94-F365 HydrophobicContact CE2-CD2 3.94Å; Y94-F365 AromaticContact CZ-CD2 3.81Å; Y94-F365 AromaticContact CZ-CE2 3.99Å; I113-F365 HydrophobicContact CB-CE2 4.13Å; I113-F365 HydrophobicContact CB-CZ 4.22Å; I113-F365 HydrophobicContact CG2-CE1 4.48Å; I113-F365 HydrophobicContact CG2-CE2 3.85Å; I113-F365 HydrophobicContact CG2-CZ 3.45Å; I113-F365 VanDerWaalsContact CG2-CZ 3.45Å; F253-F365 HydrophobicContact CD1-CD1 4.2Å; F253-F365 AromaticContact CE1-CD1 3.94Å; F253-F365 HydrophobicContact CE1-CD1 3.94Å; F253-F365 HydrophobicContact CE1-CE1 4.1Å; F253-F365 HydrophobicContact CZ-CE1 4.45Å; L362-F365 VanDerWaalsContact C-CZ 3.44Å; L362-F365 HydrophobicContact CB-CE1 4.07Å; L362-F365 HydrophobicContact CB-CZ 3.68Å; L362-F365 VanDerWaalsContact O-CZ 3.29Å; L362-F365 WeakPolarHBondContact O-CZ 3.43Å; F365-H367 PolarHBondContact O-N 2.8Å
366	A	91.1	Very high	81.9	Confident	6 Å²	6	52.7 Å²	52.7	5%	0.05	27%	0.269	C	S	.	.	S	Bend	trans	-68	-15.3	178.7	0	0	0	0	0	114.2	R86 R89 E90	R86-A366 HydrophobicContact CB-CB 4.15Å; R89-A366 PolarHBondContact NE-O 2.79Å; E90-A366 HydrophobicContact CB-CB 4.35Å
367	H	90	Very high	79.5	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.046	30%	0.296	C	S	.	.	S	Bend	trans	-131.5	69.1	-174	-71	-76	0	0	0	109.5	E26 F155 C254 F365	E26-H367 IonicContact OE1-CE1 3.25Å; E26-H367 PolarHBondContact OE1-CE1 2.89Å; E26-H367 VanDerWaalsContact OE1-CE1 3.28Å; E26-H367 IonicContact OE1-ND1 2.84Å; E26-H367 PolarHBondContact OE1-ND1 3.28Å; F155-H367 HydrophobicContact CE2-CB 3.83Å; F155-H367 AromaticContact CE2-ND1 3.97Å; F155-H367 HydrophobicContact CZ-CB 4.26Å; C254-H367 HydrophobicContact CB-CB 4.18Å; C254-H367 WeakPolarHBondContact CB-O 3.33Å; C254-H367 PolarHBondContact N-O 3.21Å; C254-H367 WeakPolarHBondContact O-CB 3.5Å; F365-H367 PolarHBondContact O-N 2.8Å
368	W	90.5	Very high	76.8	Confident	28 Å²	28	64.3 Å²	64.3	11%	0.106	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.8	176.9	76	-73.6	0	0	0	110.4	R89 M92 F93 L251 T252 F253 E370	R89-W368 PolarHBondContact O-NE1 2.88Å; M92-W368 HydrophobicContact CB-CZ2 4.48Å; F93-W368 HydrophobicContact CB-CD2 4.14Å; F93-W368 HydrophobicContact CB-CG 4.17Å; F93-W368 HydrophobicContact CB-CZ2 4.14Å; F93-W368 HydrophobicContact CD2-CB 4.32Å; F93-W368 AromaticContact CD2-CD2 3.7Å; F93-W368 HydrophobicContact CD2-CD2 3.7Å; F93-W368 HydrophobicContact CD2-CE3 4.01Å; F93-W368 AromaticContact CD2-CG 3.83Å; F93-W368 HydrophobicContact CD2-CG 3.83Å; F93-W368 HydrophobicContact CG-CD2 4.39Å; F93-W368 HydrophobicContact CG-CG 4.37Å; L251-W368 HydrophobicContact CD2-CE3 4.17Å; L251-W368 HydrophobicContact CD2-CZ3 4.2Å; T252-W368 VanDerWaalsContact O-CA 3.32Å; T252-W368 WeakPolarHBondContact O-CA 3.29Å; F253-W368 HydrophobicContact CD1-CB 4.36Å; W368-E370 HydrophobicContact CZ3-CB 4.15Å
369	S	86.3	Confident	74.5	Confident	29 Å²	29	69.2 Å²	69.2	20%	0.203	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	143.9	166.8	64.2	0	0	0	0	111.2	T252	T252-S369 WeakPolarHBondContact CB-OG 3.41Å; T252-S369 PolarHBondContact N-O 3.14Å; T252-S369 PolarHBondContact O-N 3.39Å
370	E	85.1	Confident	72.3	Confident	106 Å²	106	74.5 Å²	74.5	50%	0.495	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	145.4	166.5	-165.6	172.8	-178.9	0	0	110.3	E250 W368 H372	E250-E370 CarbonylContact O-C 3.53Å; E250-E370 WeakPolarHBondContact O-CA 3.47Å; W368-E370 HydrophobicContact CZ3-CB 4.15Å; E370-H372 IonicContact OE2-CE1 3.9Å
371	K	82.9	Confident	69.9	Low	29 Å²	29	77.7 Å²	77.7	13%	0.126	40%	0.395	C	S	.	.			trans	-96.8	111.9	174.9	-67.4	-176.5	176.2	-173.8	0	108.9	A248 K249 E250 L251 T252 Y373 T393	A248-K371 PolarHBondContact O-NZ 3.09Å; K249-K371 WeakPolarHBondContact O-CD 3.4Å; E250-K371 PolarHBondContact O-N 3.15Å; L251-K371 WeakPolarHBondContact O-CE 3.34Å; T252-K371 WeakPolarHBondContact OG1-CE 3.12Å; K371-Y373 HydrophobicContact CB-CE2 4.49Å; K371-Y373 HydrophobicContact CD-CE2 4.35Å; K371-Y373 PolarHBondContact O-N 3.31Å; K371-T393 WeakPolarHBondContact CE-OG1 3.27Å; K371-T393 PolarHBondContact NZ-OG1 2.97Å
372	H	65.6	Low	67.6	Low	146 Å²	146	78.2 Å²	78.2	68%	0.676	40%	0.4	S	S	*	.			trans	-89.9	103	166	-58.3	-66	0	0	0	108.3	E370 S374	E370-H372 IonicContact OE2-CE1 3.9Å; H372-S374 PolarHBondContact O-N 3.11Å
373	Y	51.9	Low	65.2	Low	169 Å²	169	84.8 Å²	84.8	66%	0.663	43%	0.43	S	S	*	.			trans	-78.4	106.3	165.7	-86.3	-83.5	0	0	0	108.2	K249 K371 P375	K249-Y373 WeakPolarHBondContact O-CE2 3.48Å; K371-Y373 HydrophobicContact CB-CE2 4.49Å; K371-Y373 HydrophobicContact CD-CE2 4.35Å; K371-Y373 PolarHBondContact O-N 3.31Å; Y373-P375 WeakPolarHBondContact O-CD 3.35Å
374	S	38.5	Very low	63	Low	76 Å²	76	88 Å²	88	53%	0.531	45%	0.448	S	S	.	.			trans	-89.5	116.7	166.3	-68.4	0	0	0	0	108.3	H372 L376	H372-S374 PolarHBondContact O-N 3.11Å; S374-L376 PolarHBondContact O-N 3.48Å
375	P	39.7	Very low	61	Low	129 Å²	129	89 Å²	89	84%	0.838	45%	0.45	S	S	*	.	S	Bend	trans	-76.9	17.4	-176.9	29.2	-33.9	0	0	0	114.5	Y373	Y373-P375 WeakPolarHBondContact O-CD 3.35Å
376	L	36	Very low	59.3	Low	122 Å²	122	92.5 Å²	92.5	64%	0.639	47%	0.468	S	S	*	.			trans	-134.7	136.5	-176.2	-68.1	160.9	0	0	0	107.9	S374	S374-L376 PolarHBondContact O-N 3.48Å
377	F	39.8	Very low	57.6	Low	162 Å²	162	98.4 Å²	98.4	71%	0.711	49%	0.49	S	S	*	.			trans	105.3	87.9	166.4	-53.9	-70.6	0	0	0	118.6	N379	F377-N379 PolarHBondContact O-N 3.49Å
378	N	38.4	Very low	56.1	Low	167 Å²	167	100.3 Å²	100.3	89%	0.893	50%	0.497	S	S	*	.			trans	-64.2	103.9	161.1	-83.2	-19.7	0	0	0	111.2
379	N	48.1	Very low	54.9	Low	112 Å²	112	100.2 Å²	100.2	60%	0.599	50%	0.5	S	S	*	.			trans	-146.7	146.2	164.3	-80.7	-38.5	0	0	0	110.3	F377 I381 E382	F377-N379 PolarHBondContact O-N 3.49Å; N379-I381 PolarHBondContact O-N 3.49Å; N379-E382 PolarHBondContact O-N 2.9Å
380	D	51.4	Low	54.2	Low	144 Å²	144	101.7 Å²	101.7	77%	0.77	51%	0.509	S	S	*	.	H	α-helix	trans	-52.3	-26.4	-178.9	-70.2	-37.4	0	0	0	114.3	E382 H383 N384	D380-E382 VanDerWaalsContact C-N 3.31Å; D380-E382 PolarHBondContact O-N 3.22Å; D380-H383 WeakPolarHBondContact O-CB 3.15Å; D380-H383 PolarHBondContact O-N 3.25Å; D380-N384 PolarHBondContact O-N 2.85Å
381	I	49.2	Very low	54.2	Low	72 Å²	72	98.3 Å²	98.3	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-39.6	175.7	-61.7	171.9	0	0	0	111.2	I22 N379 K385	I22-I381 HydrophobicContact CB-CG2 3.77Å; I22-I381 HydrophobicContact CD1-CD1 4.25Å; I22-I381 HydrophobicContact CD1-CG2 4.22Å; I22-I381 HydrophobicContact CG1-CG2 4.22Å; N379-I381 PolarHBondContact O-N 3.49Å; I381-K385 PolarHBondContact O-N 3.23Å
382	E	51	Low	54.5	Low	60 Å²	60	97.1 Å²	97.1	28%	0.28	49%	0.489	S	S	.	.	H	α-helix	trans	-75.7	-29.3	177.9	-153.4	179.8	-144.2	0	0	111.2	N379 D380 N384 K385 N386	N379-E382 PolarHBondContact O-N 2.9Å; D380-E382 VanDerWaalsContact C-N 3.31Å; D380-E382 PolarHBondContact O-N 3.22Å; E382-N384 VanDerWaalsContact C-N 3.27Å; E382-N384 PolarHBondContact O-N 2.89Å; E382-K385 CarbonylContact O-C 3.59Å; E382-K385 PolarHBondContact O-N 3.02Å; E382-K385 VanDerWaalsContact O-N 3.12Å; E382-N386 VanDerWaalsContact O-CB 3.28Å; E382-N386 WeakPolarHBondContact O-CB 3.32Å; E382-N386 PolarHBondContact O-N 2.9Å; E382-N386 PolarHBondContact O-ND2 2.93Å
383	H	47.4	Very low	55.6	Low	138 Å²	138	90.7 Å²	90.7	64%	0.639	46%	0.459	S	S	*	.	H	α-helix	trans	-59.8	-39.8	176.4	-152.7	-28.4	0	0	0	111.9	D380 Y387	D380-H383 WeakPolarHBondContact O-CB 3.15Å; D380-H383 PolarHBondContact O-N 3.25Å; H383-Y387 WeakPolarHBondContact O-CB 3.37Å; H383-Y387 PolarHBondContact O-N 3.41Å
384	N	50.8	Low	57.4	Low	98 Å²	98	86.6 Å²	86.6	52%	0.524	45%	0.449	S	S	.	.	H	α-helix	trans	-70.5	-41.6	175.2	-151.6	-18.4	0	0	0	111.2	D380 E382 N386 Y387 W388	D380-N384 PolarHBondContact O-N 2.85Å; E382-N384 VanDerWaalsContact C-N 3.27Å; E382-N384 PolarHBondContact O-N 2.89Å; N384-N386 PolarHBondContact O-N 2.72Å; N384-Y387 PolarHBondContact O-N 3.21Å; N384-W388 PolarHBondContact O-N 3.4Å; N384-W388 VanDerWaalsContact OD1-CD1 3.23Å; N384-W388 PolarHBondContact OD1-NE1 3.1Å
385	K	53.2	Low	60.1	Low	67 Å²	67	83.1 Å²	83.1	29%	0.291	43%	0.425	S	S	.	.	H	α-helix	trans	-58.6	-46.1	173.2	-67.9	-171.1	176.6	174.4	0	111.9	L24 I381 E382 W388 T389	L24-K385 HydrophobicContact CD1-CB 4.01Å; L24-K385 HydrophobicContact CD1-CG 4.18Å; L24-K385 HydrophobicContact CD2-CD 4.02Å; L24-K385 HydrophobicContact CD2-CG 4.26Å; L24-K385 HydrophobicContact CG-CB 4.28Å; L24-K385 HydrophobicContact CG-CD 4.2Å; L24-K385 HydrophobicContact CG-CG 3.91Å; I381-K385 PolarHBondContact O-N 3.23Å; E382-K385 CarbonylContact O-C 3.59Å; E382-K385 PolarHBondContact O-N 3.02Å; E382-K385 VanDerWaalsContact O-N 3.12Å; K385-W388 PolarHBondContact O-N 2.85Å; K385-T389 WeakPolarHBondContact O-CG2 3.45Å; K385-T389 PolarHBondContact O-N 2.99Å; K385-T389 PolarHBondContact O-OG1 2.81Å
386	N	58.6	Low	62.7	Low	72 Å²	72	77 Å²	77	39%	0.385	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-38	178.9	-72.1	-19.4	0	0	0	112.2	E382 N384 T389 C390	E382-N386 VanDerWaalsContact O-CB 3.28Å; E382-N386 WeakPolarHBondContact O-CB 3.32Å; E382-N386 PolarHBondContact O-N 2.9Å; E382-N386 PolarHBondContact O-ND2 2.93Å; N384-N386 PolarHBondContact O-N 2.72Å; N386-T389 WeakPolarHBondContact CA-OG1 3.5Å; N386-T389 PolarHBondContact O-OG1 3.26Å; N386-C390 WeakPolarHBondContact O-CB 3.46Å; N386-C390 PolarHBondContact O-N 3.2Å
387	Y	56.1	Low	65.6	Low	130 Å²	130	75.7 Å²	75.7	51%	0.51	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-47.1	175.2	177.6	-96.8	0	0	0	111.5	H383 N384 C390 E391	H383-Y387 WeakPolarHBondContact O-CB 3.37Å; H383-Y387 PolarHBondContact O-N 3.41Å; N384-Y387 PolarHBondContact O-N 3.21Å; Y387-C390 CarbonylContact O-C 3.53Å; Y387-C390 WeakPolarHBondContact O-CA 3.33Å; Y387-C390 WeakPolarHBondContact O-CB 3.39Å; Y387-C390 PolarHBondContact O-N 3.09Å; Y387-E391 PolarHBondContact O-N 3.49Å
388	W	57.9	Low	68.3	Low	50 Å²	50	70.9 Å²	70.9	19%	0.189	35%	0.352	C	S	.	.	H	α-helix	trans	-78	-33.5	-176.6	-71.9	108.2	0	0	0	114.8	Y154 P156 N384 K385 C390 E391 L392	Y154-W388 HydrophobicContact CD2-CZ3 4.47Å; Y154-W388 AromaticContact CE2-CH2 3.97Å; Y154-W388 HydrophobicContact CE2-CH2 3.97Å; Y154-W388 AromaticContact CE2-CZ3 3.73Å; Y154-W388 HydrophobicContact CE2-CZ3 3.73Å; P156-W388 HydrophobicContact CB-CB 3.89Å; P156-W388 HydrophobicContact CB-CD2 4.13Å; P156-W388 HydrophobicContact CB-CG 3.58Å; P156-W388 HydrophobicContact CG-CB 3.06Å; P156-W388 HydrophobicContact CG-CD2 3.9Å; P156-W388 HydrophobicContact CG-CE3 4.47Å; P156-W388 HydrophobicContact CG-CG 3.26Å; N384-W388 PolarHBondContact O-N 3.4Å; N384-W388 VanDerWaalsContact OD1-CD1 3.23Å; N384-W388 PolarHBondContact OD1-NE1 3.1Å; K385-W388 PolarHBondContact O-N 2.85Å; W388-C390 PolarHBondContact O-N 3.21Å; W388-E391 HydrophobicContact CE3-CB 4.21Å; W388-E391 HydrophobicContact CE3-CG 4.22Å; W388-E391 HydrophobicContact CZ3-CG 4.32Å; W388-E391 PolarHBondContact O-N 3.41Å; W388-L392 PolarHBondContact O-N 3.16Å
389	T	64.5	Low	71.2	Confident	27 Å²	27	63 Å²	63	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-38.2	168.3	54.2	0	0	0	0	109	L24 K385 N386 T393	L24-T389 HydrophobicContact CD1-CG2 3.96Å; K385-T389 WeakPolarHBondContact O-CG2 3.45Å; K385-T389 PolarHBondContact O-N 2.99Å; K385-T389 PolarHBondContact O-OG1 2.81Å; N386-T389 WeakPolarHBondContact CA-OG1 3.5Å; N386-T389 PolarHBondContact O-OG1 3.26Å; T389-T393 WeakPolarHBondContact O-CB 3.36Å; T389-T393 PolarHBondContact O-N 3.02Å; T389-T393 PolarHBondContact O-OG1 3.41Å
390	C	72.4	Confident	73.5	Confident	59 Å²	59	57.6 Å²	57.6	40%	0.399	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-46.1	172.4	-165	0	0	0	0	112.5	N386 Y387 W388 T393 N394	N386-C390 WeakPolarHBondContact O-CB 3.46Å; N386-C390 PolarHBondContact O-N 3.2Å; Y387-C390 CarbonylContact O-C 3.53Å; Y387-C390 WeakPolarHBondContact O-CA 3.33Å; Y387-C390 WeakPolarHBondContact O-CB 3.39Å; Y387-C390 PolarHBondContact O-N 3.09Å; W388-C390 PolarHBondContact O-N 3.21Å; C390-T393 PolarHBondContact O-N 2.89Å; C390-N394 WeakPolarHBondContact O-CB 3.32Å; C390-N394 PolarHBondContact O-N 3.36Å; C390-N394 PolarHBondContact O-ND2 3.34Å; C390-N394 PolarHBondContact SG-ND2 2.83Å
391	E	85.7	Confident	75.7	Confident	35 Å²	35	52.9 Å²	52.9	16%	0.164	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-51.2	178.1	-176.9	84.7	-174.7	0	0	112	V152 R174 Y387 W388 G395	V152-E391 HydrophobicContact CG1-CG 4.27Å; V152-E391 HydrophobicContact CG2-CG 3.85Å; R174-E391 IonicContact CZ-OE1 2.9Å; R174-E391 IonicContact NH1-OE1 2.83Å; R174-E391 PolarHBondContact NH1-OE1 2.85Å; Y387-E391 PolarHBondContact O-N 3.49Å; W388-E391 HydrophobicContact CE3-CB 4.21Å; W388-E391 HydrophobicContact CE3-CG 4.22Å; W388-E391 HydrophobicContact CZ3-CG 4.32Å; W388-E391 PolarHBondContact O-N 3.41Å; E391-G395 WeakPolarHBondContact O-CA 3.07Å; E391-G395 PolarHBondContact O-N 2.81Å
392	L	89.2	Confident	78	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-43.9	179.6	-73	168.4	0	0	0	111.4	V152 F155 T252 C254 W388 G395 F396	V152-L392 HydrophobicContact CG2-CD2 3.64Å; V152-L392 HydrophobicContact CG2-CG 4.33Å; F155-L392 HydrophobicContact CD1-CD1 3.8Å; F155-L392 HydrophobicContact CE1-CD1 3.98Å; T252-L392 HydrophobicContact CG2-CB 3.47Å; T252-L392 VanDerWaalsContact CG2-CB 3.47Å; T252-L392 HydrophobicContact CG2-CD1 3.7Å; T252-L392 HydrophobicContact CG2-CG 4.21Å; C254-L392 HydrophobicContact CB-CD2 4.06Å; W388-L392 PolarHBondContact O-N 3.16Å; L392-G395 PolarHBondContact O-N 2.92Å; L392-F396 PolarHBondContact O-N 3.34Å
393	T	87.4	Confident	80.2	Confident	10 Å²	10	47 Å²	47	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-49.4	-177.4	-58.7	0	0	0	0	111.4	Y243 A248 K371 T389 C390 G395 R397	Y243-T393 HydrophobicContact CE1-CG2 4.27Å; Y243-T393 WeakPolarHBondContact OH-CA 3.34Å; Y243-T393 WeakPolarHBondContact OH-CG2 3.35Å; Y243-T393 PolarHBondContact OH-O 3Å; Y243-T393 VanDerWaalsContact OH-O 3.09Å; A248-T393 HydrophobicContact CB-CG2 3.65Å; K371-T393 WeakPolarHBondContact CE-OG1 3.27Å; K371-T393 PolarHBondContact NZ-OG1 2.97Å; T389-T393 WeakPolarHBondContact O-CB 3.36Å; T389-T393 PolarHBondContact O-N 3.02Å; T389-T393 PolarHBondContact O-OG1 3.41Å; C390-T393 PolarHBondContact O-N 2.89Å; T393-G395 VanDerWaalsContact C-N 3.31Å; T393-R397 PolarHBondContact O-N 2.94Å
394	N	91	Very high	82.7	Confident	84 Å²	84	41.3 Å²	41.3	45%	0.449	20%	0.199	S	C	.	.	H	α-helix	trans	-69.2	-34.3	177.5	-67.8	-19.3	0	0	0	111	C390 R397 H398	C390-N394 WeakPolarHBondContact O-CB 3.32Å; C390-N394 PolarHBondContact O-N 3.36Å; C390-N394 PolarHBondContact O-ND2 3.34Å; C390-N394 PolarHBondContact SG-ND2 2.83Å; N394-R397 PolarHBondContact O-N 2.75Å; N394-H398 WeakPolarHBondContact O-CB 3.4Å; N394-H398 PolarHBondContact O-N 3.45Å
395	G	94	Very high	84.9	Confident	2 Å²	2	40.9 Å²	40.9	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-43.1	178	0	0	0	0	0	112.6	T151 E391 L392 T393 G399	T151-G395 VanDerWaalsContact OG1-CA 3.23Å; T151-G395 WeakPolarHBondContact OG1-CA 3.48Å; E391-G395 WeakPolarHBondContact O-CA 3.07Å; E391-G395 PolarHBondContact O-N 2.81Å; L392-G395 PolarHBondContact O-N 2.92Å; T393-G395 VanDerWaalsContact C-N 3.31Å; G395-G399 PolarHBondContact O-N 3.47Å
396	F	95.5	Very high	86.9	Confident	2 Å²	2	38 Å²	38	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-49.2	173.9	-176.9	-86	0	0	0	111.4	M149 Y243 F253 L362 L392 H398 G399 L400	M149-F396 HydrophobicContact CB-CD2 3.52Å; M149-F396 HydrophobicContact CB-CE2 3.67Å; M149-F396 HydrophobicContact CB-CG 4.47Å; M149-F396 HydrophobicContact CG-CD2 4.19Å; M149-F396 HydrophobicContact CG-CE2 3.83Å; Y243-F396 AromaticContact CD1-CD1 3.9Å; Y243-F396 HydrophobicContact CD1-CD1 3.9Å; Y243-F396 HydrophobicContact CD1-CE1 4.29Å; Y243-F396 AromaticContact CD2-CD1 3.98Å; Y243-F396 HydrophobicContact CD2-CD1 3.98Å; Y243-F396 AromaticContact CD2-CE1 3.91Å; Y243-F396 HydrophobicContact CD2-CE1 3.91Å; Y243-F396 HydrophobicContact CE1-CB 4.42Å; Y243-F396 AromaticContact CE1-CD1 3.63Å; Y243-F396 HydrophobicContact CE1-CD1 3.63Å; Y243-F396 HydrophobicContact CE1-CE1 4.41Å; Y243-F396 HydrophobicContact CE1-CG 4.44Å; Y243-F396 AromaticContact CE2-CD1 3.72Å; Y243-F396 HydrophobicContact CE2-CD1 3.72Å; Y243-F396 HydrophobicContact CE2-CE1 4.04Å; Y243-F396 HydrophobicContact CE2-CG 4.4Å; Y243-F396 HydrophobicContact CG-CD1 4.05Å; Y243-F396 HydrophobicContact CG-CE1 4.02Å; Y243-F396 AromaticContact CZ-CD1 3.51Å; F253-F396 HydrophobicContact CB-CD2 4.08Å; F253-F396 HydrophobicContact CB-CE2 4.36Å; F253-F396 HydrophobicContact CD2-CD2 4.24Å; F253-F396 HydrophobicContact CD2-CE1 4.43Å; F253-F396 HydrophobicContact CD2-CE2 4.01Å; F253-F396 HydrophobicContact CD2-CZ 4.11Å; L362-F396 HydrophobicContact CD2-CE2 4.17Å; L362-F396 HydrophobicContact CD2-CZ 3.62Å; L392-F396 PolarHBondContact O-N 3.34Å; F396-H398 PolarHBondContact O-N 3.1Å; F396-G399 PolarHBondContact O-N 2.77Å; F396-L400 HydrophobicContact CE1-CD2 4.39Å; F396-L400 PolarHBondContact O-N 2.73Å
397	R	96.3	Very high	88.7	Confident	93 Å²	93	34.6 Å²	34.6	35%	0.351	16%	0.162	S	C	.	.	H	α-helix	trans	-57	-48	177.1	-176.8	-179.4	175.1	-69.8	-8.9	111.9	L240 Y243 V244 T393 N394 G399 L400 E401	L240-R397 HydrophobicContact CD1-CG 4.04Å; Y243-R397 HydrophobicContact CD1-CB 4.28Å; Y243-R397 HydrophobicContact CE1-CB 4.01Å; V244-R397 HydrophobicContact CG2-CG 4.46Å; T393-R397 PolarHBondContact O-N 2.94Å; N394-R397 PolarHBondContact O-N 2.75Å; R397-G399 VanDerWaalsContact C-N 3.34Å; R397-G399 PolarHBondContact O-N 3.38Å; R397-L400 PolarHBondContact O-N 3.02Å; R397-E401 IonicContact CZ-OE1 3.85Å; R397-E401 IonicContact CZ-OE2 3.22Å; R397-E401 IonicContact NE-OE1 2.76Å; R397-E401 IonicContact NH1-OE1 2.73Å; R397-E401 PolarHBondContact NH1-OE1 3.25Å; R397-E401 IonicContact NH1-OE2 2.75Å; R397-E401 PolarHBondContact NH1-OE2 2.83Å; R397-E401 IonicContact NH2-OE1 3.38Å; R397-E401 PolarHBondContact NH2-OE1 3.47Å; R397-E401 WeakPolarHBondContact O-CG 3.12Å; R397-E401 PolarHBondContact O-N 3.17Å
398	H	97	Very high	90.6	Very high	62 Å²	62	32.3 Å²	32.3	29%	0.287	16%	0.156	S	C	.	.	H	α-helix	trans	-59.4	-43.5	178.8	179.2	74.6	0	0	0	111.8	K175 N394 F396 E401 N402	K175-H398 PolarHBondContact O-NE2 2.87Å; N394-H398 WeakPolarHBondContact O-CB 3.4Å; N394-H398 PolarHBondContact O-N 3.45Å; F396-H398 PolarHBondContact O-N 3.1Å; H398-E401 PolarHBondContact O-N 2.95Å; H398-N402 PolarHBondContact CE1-ND2 3.23Å; H398-N402 PolarHBondContact NE2-ND2 2.76Å; H398-N402 WeakPolarHBondContact O-CB 3.47Å; H398-N402 PolarHBondContact O-N 3.22Å; H398-N402 PolarHBondContact O-ND2 3.03Å
399	G	97.5	Very high	92.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-45.2	174.4	0	0	0	0	0	113	G177 F178 G395 F396 R397 N402 L403	G177-G399 VanDerWaalsContact O-CA 3.25Å; G177-G399 WeakPolarHBondContact O-CA 3.28Å; F178-G399 WeakPolarHBondContact CD1-O 3.46Å; G395-G399 PolarHBondContact O-N 3.47Å; F396-G399 PolarHBondContact O-N 2.77Å; R397-G399 VanDerWaalsContact C-N 3.34Å; R397-G399 PolarHBondContact O-N 3.38Å; G399-N402 PolarHBondContact O-N 3.45Å; G399-L403 PolarHBondContact O-N 2.7Å
400	L	97.5	Very high	93.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-44.7	179	179.3	51.7	0	0	0	112	M149 L236 I239 L240 I258 F396 R397 N402 L403 I404	M149-L400 HydrophobicContact CE-CB 4.22Å; M149-L400 VanDerWaalsContact CE-N 3.31Å; L236-L400 HydrophobicContact CB-CD1 4.04Å; L236-L400 HydrophobicContact CD2-CD1 3.71Å; L236-L400 HydrophobicContact CG-CD1 4.44Å; I239-L400 HydrophobicContact CB-CD2 4.38Å; I239-L400 HydrophobicContact CG2-CD2 3.87Å; L240-L400 VanDerWaalsContact CA-CD2 3.45Å; L240-L400 HydrophobicContact CB-CD2 3.64Å; L240-L400 HydrophobicContact CB-CG 4.01Å; L240-L400 HydrophobicContact CD1-CD2 3.93Å; L240-L400 HydrophobicContact CD1-CG 4.15Å; L240-L400 HydrophobicContact CG-CD2 4.38Å; I258-L400 HydrophobicContact CD1-CD1 3.65Å; F396-L400 HydrophobicContact CE1-CD2 4.39Å; F396-L400 PolarHBondContact O-N 2.73Å; R397-L400 PolarHBondContact O-N 3.02Å; L400-N402 VanDerWaalsContact C-N 3.32Å; L400-N402 PolarHBondContact O-N 2.76Å; L400-L403 PolarHBondContact O-N 2.82Å; L400-I404 HydrophobicContact CD1-CD1 4.2Å; L400-I404 HydrophobicContact CD1-CG1 4.48Å; L400-I404 HydrophobicContact CG-CD1 4.26Å; L400-I404 WeakPolarHBondContact O-CG1 3.11Å; L400-I404 PolarHBondContact O-N 2.57Å
401	E	98.1	Very high	94.6	Very high	45 Å²	45	28.3 Å²	28.3	21%	0.21	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-41.7	174.5	-72.5	178.9	141.3	0	0	112.1	L240 R397 H398 I404 K405	L240-E401 HydrophobicContact CD1-CG 4.18Å; L240-E401 HydrophobicContact CD2-CG 4.02Å; R397-E401 IonicContact CZ-OE1 3.85Å; R397-E401 IonicContact CZ-OE2 3.22Å; R397-E401 IonicContact NE-OE1 2.76Å; R397-E401 IonicContact NH1-OE1 2.73Å; R397-E401 PolarHBondContact NH1-OE1 3.25Å; R397-E401 IonicContact NH1-OE2 2.75Å; R397-E401 PolarHBondContact NH1-OE2 2.83Å; R397-E401 IonicContact NH2-OE1 3.38Å; R397-E401 PolarHBondContact NH2-OE1 3.47Å; R397-E401 WeakPolarHBondContact O-CG 3.12Å; R397-E401 PolarHBondContact O-N 3.17Å; H398-E401 PolarHBondContact O-N 2.95Å; E401-I404 PolarHBondContact O-N 2.75Å; E401-K405 VanDerWaalsContact O-CG 3.31Å; E401-K405 WeakPolarHBondContact O-CG 3.31Å; E401-K405 PolarHBondContact O-N 3Å
402	N	97.7	Very high	94.9	Very high	7 Å²	7	32 Å²	32	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-69.4	-36	177.8	-75.2	-20.8	0	0	0	112.8	K175 L176 F178 F325 H398 G399 L400 I404 K405 L406	K175-N402 PolarHBondContact O-ND2 2.74Å; L176-N402 WeakPolarHBondContact O-CB 3.44Å; L176-N402 PolarHBondContact O-ND2 2.52Å; F178-N402 HydrophobicContact CE1-CB 4.05Å; F325-N402 HydrophobicContact CE1-CB 4.44Å; H398-N402 PolarHBondContact CE1-ND2 3.23Å; H398-N402 PolarHBondContact NE2-ND2 2.76Å; H398-N402 WeakPolarHBondContact O-CB 3.47Å; H398-N402 PolarHBondContact O-N 3.22Å; H398-N402 PolarHBondContact O-ND2 3.03Å; G399-N402 PolarHBondContact O-N 3.45Å; L400-N402 VanDerWaalsContact C-N 3.32Å; L400-N402 PolarHBondContact O-N 2.76Å; N402-I404 VanDerWaalsContact C-N 3.34Å; N402-K405 PolarHBondContact O-N 3.29Å; N402-L406 WeakPolarHBondContact O-CB 3.26Å; N402-L406 PolarHBondContact O-N 2.87Å
403	L	97.5	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-40.5	173.8	-174.2	59.4	0	0	0	111.2	F147 F178 L236 I258 G399 L400 L406 M407	F147-L403 HydrophobicContact CD1-CD1 4.38Å; F147-L403 HydrophobicContact CD2-CD1 4.39Å; F147-L403 HydrophobicContact CD2-CD2 4.04Å; F147-L403 HydrophobicContact CE1-CD1 4.27Å; F147-L403 HydrophobicContact CE2-CD1 4.29Å; F147-L403 HydrophobicContact CG-CD1 4.46Å; F147-L403 HydrophobicContact CG-CD2 4.21Å; F147-L403 HydrophobicContact CZ-CD1 4.26Å; F178-L403 HydrophobicContact CE1-CB 4.24Å; L236-L403 HydrophobicContact CD1-CD2 4.07Å; L236-L403 HydrophobicContact CD1-CG 3.93Å; L236-L403 HydrophobicContact CD2-CD2 3.95Å; I258-L403 HydrophobicContact CG2-CD2 4.28Å; G399-L403 PolarHBondContact O-N 2.7Å; L400-L403 PolarHBondContact O-N 2.82Å; L403-L406 WeakPolarHBondContact O-CB 3.48Å; L403-L406 PolarHBondContact O-N 3.32Å; L403-M407 HydrophobicContact CD1-CE 4.38Å; L403-M407 WeakPolarHBondContact O-CG 3.37Å; L403-M407 PolarHBondContact O-N 2.99Å; L403-M407 VanDerWaalsContact O-N 3.12Å
404	I	98.2	Very high	94.8	Very high	19 Å²	19	34 Å²	34	10%	0.097	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-45.8	173.6	-69	163.7	0	0	0	111.1	L236 L240 L400 E401 N402 L406 M407 H408	L236-I404 HydrophobicContact CB-CD1 3.95Å; L236-I404 HydrophobicContact CB-CG1 3.53Å; L236-I404 HydrophobicContact CD1-CG1 4.13Å; L236-I404 HydrophobicContact CG-CG1 4.45Å; L240-I404 HydrophobicContact CB-CD1 4.16Å; L240-I404 HydrophobicContact CD2-CD1 3.77Å; L400-I404 HydrophobicContact CD1-CD1 4.2Å; L400-I404 HydrophobicContact CD1-CG1 4.48Å; L400-I404 HydrophobicContact CG-CD1 4.26Å; L400-I404 WeakPolarHBondContact O-CG1 3.11Å; L400-I404 PolarHBondContact O-N 2.57Å; E401-I404 PolarHBondContact O-N 2.75Å; N402-I404 VanDerWaalsContact C-N 3.34Å; I404-L406 VanDerWaalsContact C-N 3.25Å; I404-L406 PolarHBondContact O-N 3.08Å; I404-M407 PolarHBondContact O-N 3.24Å; I404-M407 VanDerWaalsContact O-N 3.16Å; I404-H408 PolarHBondContact O-CD2 2.82Å; I404-H408 PolarHBondContact O-N 3.37Å
405	K	96.9	Very high	94.2	Very high	89 Å²	89	31.7 Å²	31.7	39%	0.387	15%	0.153	S	C	.	.	H	α-helix	trans	-58.5	-38.6	175.8	-73.4	170.8	-170.5	166.9	0	112.1	E401 N402 H408 Y409	E401-K405 VanDerWaalsContact O-CG 3.31Å; E401-K405 WeakPolarHBondContact O-CG 3.31Å; E401-K405 PolarHBondContact O-N 3Å; N402-K405 PolarHBondContact O-N 3.29Å; K405-H408 PolarHBondContact O-N 3.18Å; K405-Y409 PolarHBondContact O-N 2.84Å
406	L	95.4	Very high	93.3	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	17%	0.169	C	C	.	.	H	α-helix	trans	-65.1	-39.8	177.6	-176	57.3	0	0	0	112	F178 V209 Y210 I214 F323 N402 L403 I404 Y409 I410	F178-L406 HydrophobicContact CZ-CD2 4.42Å; V209-L406 HydrophobicContact CG1-CD2 3.76Å; Y210-L406 HydrophobicContact CD2-CD1 3.75Å; Y210-L406 HydrophobicContact CG-CD1 4.2Å; I214-L406 HydrophobicContact CB-CD2 4.39Å; I214-L406 HydrophobicContact CD1-CD2 4.33Å; I214-L406 HydrophobicContact CG1-CD2 3.4Å; I214-L406 VanDerWaalsContact CG1-CD2 3.4Å; I214-L406 HydrophobicContact CG1-CG 4.03Å; F323-L406 HydrophobicContact CE2-CD1 3.94Å; F323-L406 HydrophobicContact CZ-CD1 3.58Å; N402-L406 WeakPolarHBondContact O-CB 3.26Å; N402-L406 PolarHBondContact O-N 2.87Å; L403-L406 WeakPolarHBondContact O-CB 3.48Å; L403-L406 PolarHBondContact O-N 3.32Å; I404-L406 VanDerWaalsContact C-N 3.25Å; I404-L406 PolarHBondContact O-N 3.08Å; L406-Y409 WeakPolarHBondContact O-CB 3.43Å; L406-Y409 PolarHBondContact O-N 3Å; L406-I410 PolarHBondContact O-N 3.42Å; L406-I410 VanDerWaalsContact O-N 3.09Å
407	M	96.4	Very high	92.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.7	-40.1	172.9	-63.8	-60.6	176.8	0	0	112.1	I214 L218 A229 Y232 I233 L236 L260 L403 I404 Y409 I410 V411	I214-M407 HydrophobicContact CD1-CE 4.42Å; I214-M407 HydrophobicContact CG2-CE 4.22Å; I214-M407 HydrophobicContact CG2-SD 4.2Å; L218-M407 HydrophobicContact CD1-SD 4.36Å; A229-M407 HydrophobicContact CB-CB 4.4Å; A229-M407 HydrophobicContact CB-SD 4.31Å; Y232-M407 HydrophobicContact CD2-CE 3.93Å; Y232-M407 HydrophobicContact CD2-SD 4.19Å; Y232-M407 HydrophobicContact CG-CE 4.34Å; I233-M407 HydrophobicContact CD1-CB 4.03Å; I233-M407 HydrophobicContact CG1-CB 3.55Å; L236-M407 HydrophobicContact CD1-CG 4.35Å; L260-M407 HydrophobicContact CD1-CE 3.38Å; L403-M407 HydrophobicContact CD1-CE 4.38Å; L403-M407 WeakPolarHBondContact O-CG 3.37Å; L403-M407 PolarHBondContact O-N 2.99Å; L403-M407 VanDerWaalsContact O-N 3.12Å; I404-M407 PolarHBondContact O-N 3.24Å; I404-M407 VanDerWaalsContact O-N 3.16Å; M407-Y409 VanDerWaalsContact C-N 3.26Å; M407-Y409 PolarHBondContact O-N 3Å; M407-I410 WeakPolarHBondContact O-CB 3.48Å; M407-I410 PolarHBondContact O-N 3.26Å; M407-V411 WeakPolarHBondContact O-CG2 3.48Å; M407-V411 PolarHBondContact O-N 3.45Å
408	H	96.3	Very high	90.7	Very high	83 Å²	83	34.4 Å²	34.4	38%	0.384	18%	0.182	S	C	.	.	H	α-helix	trans	-59.9	-38.7	172.2	-81.4	-67.8	0	0	0	112.1	I404 K405 I410 V411 N412	I404-H408 PolarHBondContact O-CD2 2.82Å; I404-H408 PolarHBondContact O-N 3.37Å; K405-H408 PolarHBondContact O-N 3.18Å; H408-I410 VanDerWaalsContact C-N 3.34Å; H408-V411 PolarHBondContact O-N 2.95Å; H408-N412 VanDerWaalsContact O-CG 3.24Å; H408-N412 PolarHBondContact O-N 3.5Å; H408-N412 PolarHBondContact O-ND2 3.2Å
409	Y	93.4	Very high	89.3	Confident	33 Å²	33	38 Å²	38	13%	0.129	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-38.6	176.5	-172.9	-95.6	0	0	0	111.7	Y210 F323 K405 L406 M407 N412 N413	Y210-Y409 HydrophobicContact CD1-CD1 4.42Å; Y210-Y409 AromaticContact CD1-CE1 3.89Å; Y210-Y409 HydrophobicContact CD1-CE1 3.89Å; Y210-Y409 AromaticContact CD2-CD1 3.55Å; Y210-Y409 HydrophobicContact CD2-CD1 3.55Å; Y210-Y409 AromaticContact CD2-CE1 3.87Å; Y210-Y409 HydrophobicContact CD2-CE1 3.87Å; Y210-Y409 HydrophobicContact CE1-CD1 4.26Å; Y210-Y409 AromaticContact CE1-CE1 3.64Å; Y210-Y409 HydrophobicContact CE1-CE1 3.64Å; Y210-Y409 AromaticContact CE2-CD1 3.29Å; Y210-Y409 HydrophobicContact CE2-CD1 3.29Å; Y210-Y409 AromaticContact CE2-CE1 3.57Å; Y210-Y409 HydrophobicContact CE2-CE1 3.57Å; Y210-Y409 HydrophobicContact CG-CD1 4.1Å; Y210-Y409 HydrophobicContact CG-CE1 4Å; Y210-Y409 AromaticContact CZ-CD1 3.69Å; Y210-Y409 AromaticContact CZ-CE1 3.46Å; Y210-Y409 VanDerWaalsContact CZ-CE1 3.46Å; F323-Y409 HydrophobicContact CD2-CD1 4.13Å; F323-Y409 HydrophobicContact CD2-CD2 4.35Å; F323-Y409 AromaticContact CD2-CE1 3.87Å; F323-Y409 HydrophobicContact CD2-CE1 3.87Å; F323-Y409 HydrophobicContact CD2-CE2 4.11Å; F323-Y409 HydrophobicContact CD2-CG 4.35Å; F323-Y409 AromaticContact CD2-CZ 3.86Å; F323-Y409 AromaticContact CE2-CD1 3.3Å; F323-Y409 HydrophobicContact CE2-CD1 3.3Å; F323-Y409 AromaticContact CE2-CD2 3.91Å; F323-Y409 HydrophobicContact CE2-CD2 3.91Å; F323-Y409 AromaticContact CE2-CE1 3.49Å; F323-Y409 HydrophobicContact CE2-CE1 3.49Å; F323-Y409 VanDerWaalsContact CE2-CE1 3.49Å; F323-Y409 HydrophobicContact CE2-CE2 4.08Å; F323-Y409 AromaticContact CE2-CG 3.51Å; F323-Y409 HydrophobicContact CE2-CG 3.51Å; F323-Y409 AromaticContact CE2-CZ 3.88Å; F323-Y409 AromaticContact CZ-CD1 3.97Å; F323-Y409 HydrophobicContact CZ-CD1 3.97Å; F323-Y409 HydrophobicContact CZ-CD2 4.22Å; F323-Y409 AromaticContact CZ-CG 3.78Å; F323-Y409 HydrophobicContact CZ-CG 3.78Å; K405-Y409 PolarHBondContact O-N 2.84Å; L406-Y409 WeakPolarHBondContact O-CB 3.43Å; L406-Y409 PolarHBondContact O-N 3Å; M407-Y409 VanDerWaalsContact C-N 3.26Å; M407-Y409 PolarHBondContact O-N 3Å; Y409-N412 PolarHBondContact O-N 2.99Å; Y409-N413 WeakPolarHBondContact CD1-ND2 3.05Å; Y409-N413 WeakPolarHBondContact CD2-ND2 3.36Å; Y409-N413 WeakPolarHBondContact CE1-ND2 3.37Å; Y409-N413 WeakPolarHBondContact CE2-ND2 3.46Å; Y409-N413 VanDerWaalsContact CG-ND2 3.3Å; Y409-N413 PolarHBondContact O-N 2.76Å; Y409-N413 PolarHBondContact O-ND2 3.12Å
410	I	91.8	Very high	87.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-51.4	170.3	-67.2	-81.3	0	0	0	110.5	Y210 I214 K215 L218 A229 L406 M407 H408 N412 N413 E414	Y210-I410 HydrophobicContact CD2-CD1 3.83Å; Y210-I410 HydrophobicContact CD2-CG1 4.24Å; Y210-I410 HydrophobicContact CE2-CD1 3.23Å; Y210-I410 HydrophobicContact CE2-CG1 3.79Å; I214-I410 HydrophobicContact CG2-CD1 4.1Å; I214-I410 HydrophobicContact CG2-CG1 4.04Å; K215-I410 HydrophobicContact CB-CD1 4.06Å; L218-I410 HydrophobicContact CD1-CB 4.36Å; L218-I410 HydrophobicContact CD1-CD1 4.08Å; L218-I410 HydrophobicContact CD1-CG1 4Å; L218-I410 HydrophobicContact CD1-CG2 3.77Å; A229-I410 HydrophobicContact CB-CB 4.03Å; A229-I410 HydrophobicContact CB-CG2 3.71Å; L406-I410 PolarHBondContact O-N 3.42Å; L406-I410 VanDerWaalsContact O-N 3.09Å; M407-I410 WeakPolarHBondContact O-CB 3.48Å; M407-I410 PolarHBondContact O-N 3.26Å; H408-I410 VanDerWaalsContact C-N 3.34Å; I410-N412 VanDerWaalsContact C-N 3.29Å; I410-N412 PolarHBondContact O-N 3.15Å; I410-N413 PolarHBondContact O-N 3.45Å; I410-E414 HydrophobicContact CG2-CG 4.03Å; I410-E414 WeakPolarHBondContact O-CB 3.22Å; I410-E414 WeakPolarHBondContact O-CG 3.4Å; I410-E414 PolarHBondContact O-N 3.38Å
411	V	94.2	Very high	85.3	Confident	18 Å²	18	51.5 Å²	51.5	11%	0.109	29%	0.285	C	S	.	.	H	α-helix	trans	-55.3	-46.5	-179.6	174	0	0	0	0	110.8	V226 A229 Q230 I233 M407 H408 S415	V226-V411 HydrophobicContact CG1-CG1 4.36Å; A229-V411 HydrophobicContact CB-CG2 3.7Å; Q230-V411 HydrophobicContact CG-CG1 4.37Å; Q230-V411 HydrophobicContact CG-CG2 3.8Å; I233-V411 HydrophobicContact CD1-CG2 3.89Å; M407-V411 WeakPolarHBondContact O-CG2 3.48Å; M407-V411 PolarHBondContact O-N 3.45Å; H408-V411 PolarHBondContact O-N 2.95Å; V411-S415 WeakPolarHBondContact O-CB 3.28Å; V411-S415 PolarHBondContact O-N 3.39Å; V411-S415 VanDerWaalsContact O-N 3.12Å; V411-S415 PolarHBondContact O-OG 3.22Å
412	N	92.3	Very high	84.7	Confident	112 Å²	112	51.9 Å²	51.9	60%	0.599	29%	0.289	S	S	*	.	H	α-helix	trans	-70.4	-40.6	-175.7	-66.2	-16.4	0	0	0	112.9	H408 Y409 I410	H408-N412 VanDerWaalsContact O-CG 3.24Å; H408-N412 PolarHBondContact O-N 3.5Å; H408-N412 PolarHBondContact O-ND2 3.2Å; Y409-N412 PolarHBondContact O-N 2.99Å; I410-N412 VanDerWaalsContact C-N 3.29Å; I410-N412 PolarHBondContact O-N 3.15Å
413	N	88.8	Confident	84	Confident	50 Å²	50	54.2 Å²	54.2	27%	0.267	30%	0.302	S	S	.	.	H	α-helix	trans	-81.9	-39.2	-176.8	-69	-72.7	0	0	0	113	Y409 I410	Y409-N413 WeakPolarHBondContact CD1-ND2 3.05Å; Y409-N413 WeakPolarHBondContact CD2-ND2 3.36Å; Y409-N413 WeakPolarHBondContact CE1-ND2 3.37Å; Y409-N413 WeakPolarHBondContact CE2-ND2 3.46Å; Y409-N413 VanDerWaalsContact CG-ND2 3.3Å; Y409-N413 PolarHBondContact O-N 2.76Å; Y409-N413 PolarHBondContact O-ND2 3.12Å; I410-N413 PolarHBondContact O-N 3.45Å
414	E	84.4	Confident	83.2	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-80	-28.1	-178.7	-57	-58.7	136	0	0	111.8	Y210 K215 P222 V226 I410 A416 I417 C418	Y210-E414 PolarHBondContact OH-OE1 3.38Å; K215-E414 WeakPolarHBondContact CE-OE1 3.35Å; K215-E414 VanDerWaalsContact NZ-CD 3.3Å; K215-E414 IonicContact NZ-OE1 3.49Å; K215-E414 PolarHBondContact NZ-OE1 3.05Å; K215-E414 IonicContact NZ-OE2 2.76Å; K215-E414 PolarHBondContact NZ-OE2 3.36Å; K215-E414 VanDerWaalsContact NZ-OE2 3.16Å; P222-E414 HydrophobicContact CB-CB 4.48Å; V226-E414 HydrophobicContact CG2-CB 3.64Å; I410-E414 HydrophobicContact CG2-CG 4.03Å; I410-E414 WeakPolarHBondContact O-CB 3.22Å; I410-E414 WeakPolarHBondContact O-CG 3.4Å; I410-E414 PolarHBondContact O-N 3.38Å; E414-A416 VanDerWaalsContact C-N 3.3Å; E414-A416 PolarHBondContact O-N 2.91Å; E414-I417 WeakPolarHBondContact O-CB 3.11Å; E414-I417 PolarHBondContact O-N 3.33Å; E414-I417 VanDerWaalsContact O-N 3.16Å; E414-C418 PolarHBondContact O-N 3.3Å; E414-C418 PolarHBondContact O-SG 2.91Å
415	S	78.4	Confident	82.3	Confident	34 Å²	34	59.5 Å²	59.5	24%	0.238	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-35.3	171.7	-59.2	0	0	0	0	111.9	V411 I417 C418 I419	V411-S415 WeakPolarHBondContact O-CB 3.28Å; V411-S415 PolarHBondContact O-N 3.39Å; V411-S415 VanDerWaalsContact O-N 3.12Å; V411-S415 PolarHBondContact O-OG 3.22Å; S415-I417 PolarHBondContact O-N 2.86Å; S415-C418 PolarHBondContact O-N 3.17Å; S415-C418 VanDerWaalsContact O-N 3.16Å; S415-I419 WeakPolarHBondContact O-CG1 3.4Å; S415-I419 PolarHBondContact O-N 2.96Å
416	A	75.3	Confident	81.4	Confident	45 Å²	45	57.6 Å²	57.6	37%	0.372	33%	0.329	S	S	.	.	H	α-helix	trans	-62.7	-32.3	174.6	0	0	0	0	0	111.8	E414 N420	E414-A416 VanDerWaalsContact C-N 3.3Å; E414-A416 PolarHBondContact O-N 2.91Å; A416-N420 WeakPolarHBondContact O-CB 3.46Å; A416-N420 VanDerWaalsContact O-CG 3.25Å; A416-N420 PolarHBondContact O-N 3.2Å; A416-N420 PolarHBondContact O-ND2 3.31Å
417	I	73.2	Confident	80.5	Confident	69 Å²	69	61 Å²	61	35%	0.354	35%	0.348	S	S	.	.	H	α-helix	trans	-70.7	-43.1	173.5	-61.6	169.4	0	0	0	110.1	P222 E414 S415 I419 N420 S421	P222-I417 HydrophobicContact CG-CG2 4.42Å; E414-I417 WeakPolarHBondContact O-CB 3.11Å; E414-I417 PolarHBondContact O-N 3.33Å; E414-I417 VanDerWaalsContact O-N 3.16Å; S415-I417 PolarHBondContact O-N 2.86Å; I417-I419 VanDerWaalsContact C-N 3.29Å; I417-I419 PolarHBondContact O-N 3.45Å; I417-N420 PolarHBondContact O-N 3.43Å; I417-S421 WeakPolarHBondContact O-CB 3.4Å; I417-S421 PolarHBondContact O-N 3.29Å; I417-S421 VanDerWaalsContact O-N 3.08Å; I417-S421 PolarHBondContact O-OG 3.34Å
418	C	65.1	Low	79.4	Confident	40 Å²	40	65.4 Å²	65.4	27%	0.27	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-30.8	178.9	-60.7	0	0	0	0	113.7	P222 E414 S415	P222-C418 VanDerWaalsContact CB-SG 3.58Å; E414-C418 PolarHBondContact O-N 3.3Å; E414-C418 PolarHBondContact O-SG 2.91Å; S415-C418 PolarHBondContact O-N 3.17Å; S415-C418 VanDerWaalsContact O-N 3.16Å
419	I	67.3	Low	78.1	Confident	139 Å²	139	64 Å²	64	71%	0.713	37%	0.372	S	S	*	.	H	α-helix	trans	-78.3	-27.3	177.6	-65.8	164.6	0	0	0	111.2	S415 I417	S415-I419 WeakPolarHBondContact O-CG1 3.4Å; S415-I419 PolarHBondContact O-N 2.96Å; I417-I419 VanDerWaalsContact C-N 3.29Å; I417-I419 PolarHBondContact O-N 3.45Å
420	N	60.3	Low	76.8	Confident	141 Å²	141	66.6 Å²	66.6	75%	0.754	39%	0.393	S	S	*	.	H	α-helix	trans	-97	0.6	-177.2	-67.6	-28.6	0	0	0	113.9	A416 I417	A416-N420 WeakPolarHBondContact O-CB 3.46Å; A416-N420 VanDerWaalsContact O-CG 3.25Å; A416-N420 PolarHBondContact O-N 3.2Å; A416-N420 PolarHBondContact O-ND2 3.31Å; I417-N420 PolarHBondContact O-N 3.43Å
421	S	50.4	Low	75.4	Confident	142 Å²	142	72.5 Å²	72.5	99%	0.993	43%	0.428	S	S	*	.			trans	-108.4	0	176.8	-50.9	0	0	0	0	109.7	I417	I417-S421 WeakPolarHBondContact O-CB 3.4Å; I417-S421 PolarHBondContact O-N 3.29Å; I417-S421 VanDerWaalsContact O-N 3.08Å; I417-S421 PolarHBondContact O-OG 3.34Å

Retrieved 421 of 421 residues in 335.9 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).